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 1nud_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 TGGRDPRSWD 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 XXXXXXXXXX XXXXXXXXXP 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 -0.011 0.000 1.274 1 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 1 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 2 A N 0.579 123.390 122.820 -0.015 0.000 2.354 2 A HA 0.592 5.071 4.320 0.265 0.000 0.269 2 A C 0.111 177.681 177.584 -0.022 0.000 1.109 2 A CA -0.250 51.776 52.037 -0.019 0.000 0.800 2 A CB 0.140 19.124 19.000 -0.027 0.000 1.045 2 A HN 1.999 nan 8.150 nan 0.000 0.489 3 L N 2.385 123.596 121.223 -0.021 0.000 2.455 3 L HA 0.517 5.016 4.340 0.265 0.000 0.272 3 L C 0.573 177.420 176.870 -0.037 0.000 1.174 3 L CA 1.424 56.250 54.840 -0.024 0.000 0.869 3 L CB 0.378 42.428 42.059 -0.016 0.000 1.130 3 L HN 0.830 nan 8.230 nan 0.000 0.474 4 G N 3.567 112.345 108.800 -0.037 0.000 2.690 4 G HA2 0.550 4.669 3.960 0.265 0.000 0.291 4 G HA3 0.550 4.669 3.960 0.265 0.000 0.291 4 G C -1.748 173.126 174.900 -0.042 0.000 1.403 4 G CA -0.707 44.366 45.100 -0.045 0.000 0.864 4 G HN 0.466 nan 8.290 nan 0.000 0.480 5 V N 1.095 120.981 119.914 -0.048 0.000 2.408 5 V HA 0.216 4.495 4.120 0.265 0.000 0.267 5 V C 1.348 177.425 176.094 -0.028 0.000 1.047 5 V CA -0.072 62.202 62.300 -0.044 0.000 0.937 5 V CB 1.073 32.864 31.823 -0.053 0.000 0.999 5 V HN 0.948 nan 8.190 nan 0.000 0.472 6 Q N 3.467 123.252 119.800 -0.024 0.000 2.062 6 Q HA 0.006 4.505 4.340 0.265 0.000 0.196 6 Q C 0.820 176.815 176.000 -0.009 0.000 0.967 6 Q CA 1.292 57.086 55.803 -0.014 0.000 0.832 6 Q CB 0.476 29.206 28.738 -0.014 0.000 0.899 6 Q HN 0.968 nan 8.270 nan 0.000 0.442 7 S N -1.692 113.998 115.700 -0.017 0.000 2.611 7 S HA 0.508 5.137 4.470 0.265 0.000 0.268 7 S C -1.261 173.311 174.600 -0.047 0.000 1.156 7 S CA -1.056 57.137 58.200 -0.012 0.000 0.817 7 S CB 1.249 64.449 63.200 -0.000 0.000 1.122 7 S HN 0.261 nan 8.310 nan 0.000 0.466 8 I N 1.559 122.092 120.570 -0.063 0.000 2.569 8 I HA 0.507 4.836 4.170 0.265 0.000 0.290 8 I C -1.635 174.355 176.117 -0.212 0.000 1.088 8 I CA -0.547 60.637 61.300 -0.194 0.000 1.047 8 I CB 1.917 39.716 38.000 -0.335 0.000 1.237 8 I HN 0.823 nan 8.210 nan 0.000 0.421 9 N N 6.616 125.183 118.700 -0.222 0.000 2.501 9 N HA 0.183 5.082 4.740 0.265 0.000 0.245 9 N C -0.227 175.210 175.510 -0.120 0.000 0.974 9 N CA -0.362 52.631 53.050 -0.095 0.000 0.941 9 N CB 0.728 39.194 38.487 -0.035 0.000 1.122 9 N HN 0.645 nan 8.380 nan 0.000 0.507 10 W N 1.912 123.272 121.300 0.099 0.000 2.825 10 W HA 0.102 4.925 4.660 0.272 0.000 0.243 10 W C 0.837 177.434 176.519 0.130 0.000 1.293 10 W CA -0.142 57.279 57.345 0.126 0.000 1.403 10 W CB -0.138 29.395 29.460 0.122 0.000 1.134 10 W HN 0.512 nan 8.180 nan 0.000 0.666 11 Q N -0.294 119.665 119.800 0.265 0.000 2.416 11 Q HA -0.274 4.225 4.340 0.265 0.000 0.319 11 Q C 1.017 177.183 176.000 0.276 0.000 1.318 11 Q CA 0.841 56.781 55.803 0.228 0.000 0.915 11 Q CB -2.097 26.752 28.738 0.186 0.000 1.184 11 Q HN 0.279 nan 8.270 nan 0.000 0.444 12 T N -0.257 114.446 114.554 0.248 0.000 2.624 12 T HA -0.295 4.214 4.350 0.265 0.000 0.268 12 T C 1.848 176.626 174.700 0.129 0.000 1.041 12 T CA 1.844 64.047 62.100 0.172 0.000 1.159 12 T CB -0.200 68.747 68.868 0.131 0.000 0.863 12 T HN 0.695 nan 8.240 nan 0.000 0.434 13 A N 1.248 124.149 122.820 0.135 0.000 1.849 13 A HA -0.111 4.368 4.320 0.265 0.000 0.217 13 A C 2.026 179.675 177.584 0.108 0.000 1.202 13 A CA 2.023 54.123 52.037 0.106 0.000 0.629 13 A CB -1.261 17.805 19.000 0.110 0.000 0.834 13 A HN 0.493 nan 8.150 nan 0.000 0.447 14 F N 1.426 121.399 119.950 0.037 0.000 2.025 14 F HA -0.299 4.388 4.527 0.268 0.000 0.297 14 F C 2.263 178.085 175.800 0.036 0.000 1.132 14 F CA 2.472 60.490 58.000 0.030 0.000 1.191 14 F CB -0.373 38.651 39.000 0.040 0.000 0.963 14 F HN 0.246 nan 8.300 nan 0.000 0.481 15 N N 0.695 119.444 118.700 0.080 0.000 2.061 15 N HA -0.212 4.687 4.740 0.265 0.000 0.193 15 N C 1.963 177.413 175.510 -0.100 0.000 1.030 15 N CA 1.869 54.916 53.050 -0.006 0.000 0.856 15 N CB -0.601 37.970 38.487 0.140 0.000 1.023 15 N HN 0.418 nan 8.380 nan 0.000 0.424 16 R N 0.950 121.404 120.500 -0.077 0.000 2.091 16 R HA -0.130 4.369 4.340 0.265 0.000 0.238 16 R C 2.283 178.498 176.300 -0.141 0.000 1.136 16 R CA 1.165 57.221 56.100 -0.073 0.000 0.959 16 R CB -0.295 29.996 30.300 -0.014 0.000 0.856 16 R HN 0.436 nan 8.270 nan 0.000 0.437 17 Q N 0.216 119.903 119.800 -0.189 0.000 2.050 17 Q HA -0.137 4.362 4.340 0.265 0.000 0.202 17 Q C 1.998 177.732 176.000 -0.443 0.000 0.980 17 Q CA 1.679 57.331 55.803 -0.250 0.000 0.840 17 Q CB -0.056 28.563 28.738 -0.200 0.000 0.898 17 Q HN 0.384 nan 8.270 nan 0.000 0.424 18 A N -0.331 122.178 122.820 -0.519 0.000 2.015 18 A HA -0.151 4.328 4.320 0.265 0.000 0.219 18 A C 1.381 178.504 177.584 -0.769 0.000 1.163 18 A CA 1.085 52.746 52.037 -0.626 0.000 0.646 18 A CB -0.492 18.134 19.000 -0.623 0.000 0.806 18 A HN 0.480 nan 8.150 nan 0.000 0.448 19 H N -1.203 117.500 119.070 -0.612 0.000 2.517 19 H HA 0.057 4.771 4.556 0.263 0.000 0.282 19 H C -0.395 174.612 175.328 -0.534 0.000 1.023 19 H CA 0.258 56.018 56.048 -0.480 0.000 1.169 19 H CB 0.006 29.634 29.762 -0.224 0.000 1.454 19 H HN 0.661 nan 8.280 nan 0.000 0.556 20 H N 0.321 119.168 119.070 -0.372 0.000 2.626 20 H HA -0.129 4.583 4.556 0.261 0.000 0.317 20 H C 0.707 175.932 175.328 -0.171 0.000 1.140 20 H CA 1.194 56.972 56.048 -0.449 0.000 1.134 20 H CB -2.284 26.745 29.762 -1.221 0.000 1.486 20 H HN 0.494 nan 8.280 nan 0.000 0.417 21 T N -3.469 111.095 114.554 0.016 0.000 3.275 21 T HA 0.028 4.537 4.350 0.265 0.000 0.298 21 T C 1.139 175.937 174.700 0.164 0.000 0.988 21 T CA 0.127 62.356 62.100 0.215 0.000 0.936 21 T CB 0.484 69.528 68.868 0.295 0.000 1.159 21 T HN 0.396 nan 8.240 nan 0.000 0.519 22 D N 1.599 121.998 120.400 -0.003 0.000 2.317 22 D HA -0.066 4.733 4.640 0.265 0.000 0.211 22 D C 1.594 177.835 176.300 -0.100 0.000 0.966 22 D CA 0.254 54.239 54.000 -0.025 0.000 0.876 22 D CB 0.031 40.793 40.800 -0.064 0.000 0.927 22 D HN 0.302 nan 8.370 nan 0.000 0.519 23 K N 0.070 120.284 120.400 -0.309 0.000 2.211 23 K HA -0.020 4.459 4.320 0.265 0.000 0.203 23 K C 0.592 176.961 176.600 -0.385 0.000 1.050 23 K CA 0.139 56.046 56.287 -0.634 0.000 0.945 23 K CB -0.214 31.345 32.500 -1.569 0.000 0.732 23 K HN 0.214 nan 8.250 nan 0.000 0.451 24 F N 1.219 121.221 119.950 0.086 0.000 2.563 24 F HA -0.127 4.467 4.527 0.111 0.000 0.363 24 F C 2.050 177.924 175.800 0.124 0.000 1.123 24 F CA -0.019 58.133 58.000 0.253 0.000 1.307 24 F CB 0.691 39.837 39.000 0.244 0.000 1.115 24 F HN 0.022 nan 8.300 nan 0.000 0.592 25 S N 0.729 116.642 115.700 0.354 0.000 2.428 25 S HA -0.098 4.531 4.470 0.265 0.000 0.230 25 S C 1.220 175.914 174.600 0.158 0.000 1.014 25 S CA 0.375 58.695 58.200 0.200 0.000 0.957 25 S CB -0.336 62.969 63.200 0.175 0.000 0.784 25 S HN 0.607 nan 8.310 nan 0.000 0.499 26 S N 0.604 116.405 115.700 0.169 0.000 2.553 26 S HA 0.006 4.635 4.470 0.265 0.000 0.271 26 S C 0.973 175.618 174.600 0.075 0.000 1.362 26 S CA -0.041 58.213 58.200 0.089 0.000 1.010 26 S CB 0.306 63.530 63.200 0.039 0.000 0.865 26 S HN 0.545 nan 8.310 nan 0.000 0.543 27 Q N 0.856 120.680 119.800 0.040 0.000 2.352 27 Q HA 0.226 4.725 4.340 0.265 0.000 0.212 27 Q C 0.390 176.395 176.000 0.009 0.000 0.888 27 Q CA 0.287 56.110 55.803 0.033 0.000 0.934 27 Q CB 0.045 28.800 28.738 0.027 0.000 1.093 27 Q HN 0.735 nan 8.270 nan 0.000 0.523 28 E N 0.706 120.897 120.200 -0.015 0.000 2.435 28 E HA 0.034 4.543 4.350 0.265 0.000 0.256 28 E C -0.363 176.201 176.600 -0.060 0.000 1.245 28 E CA -0.265 56.100 56.400 -0.058 0.000 0.989 28 E CB 0.561 30.217 29.700 -0.074 0.000 0.983 28 E HN -0.086 nan 8.360 nan 0.000 0.480 29 L N 2.222 123.377 121.223 -0.113 0.000 2.268 29 L HA 0.272 4.771 4.340 0.265 0.000 0.289 29 L C -0.993 175.831 176.870 -0.077 0.000 1.064 29 L CA 0.439 55.212 54.840 -0.112 0.000 0.824 29 L CB 0.002 41.932 42.059 -0.215 0.000 1.202 29 L HN 0.302 nan 8.230 nan 0.000 0.433 30 I N 6.533 127.064 120.570 -0.064 0.000 2.312 30 I HA 0.366 4.694 4.170 0.265 0.000 0.290 30 I C -0.371 175.682 176.117 -0.106 0.000 1.008 30 I CA -0.273 61.004 61.300 -0.039 0.000 1.226 30 I CB 0.884 38.900 38.000 0.027 0.000 1.371 30 I HN 0.510 nan 8.210 nan 0.000 0.468 31 L N 6.185 127.324 121.223 -0.141 0.000 2.283 31 L HA 0.665 5.164 4.340 0.265 0.000 0.259 31 L C -0.377 176.514 176.870 0.034 0.000 1.027 31 L CA -0.999 53.663 54.840 -0.297 0.000 0.828 31 L CB 2.026 43.636 42.059 -0.748 0.000 1.380 31 L HN 0.485 nan 8.230 nan 0.000 0.425 32 R N 0.433 121.091 120.500 0.264 0.000 2.534 32 R HA 0.431 4.930 4.340 0.265 0.000 0.301 32 R C -0.912 175.501 176.300 0.188 0.000 0.961 32 R CA -0.954 55.301 56.100 0.258 0.000 0.871 32 R CB 2.107 32.606 30.300 0.332 0.000 1.170 32 R HN 0.568 nan 8.270 nan 0.000 0.446 33 R N 0.681 121.236 120.500 0.091 0.000 2.758 33 R HA 0.150 4.649 4.340 0.265 0.000 0.263 33 R C 0.468 176.768 176.300 0.001 0.000 1.010 33 R CA 0.725 56.818 56.100 -0.010 0.000 1.114 33 R CB 0.071 30.353 30.300 -0.030 0.000 0.985 33 R HN 0.815 nan 8.270 nan 0.000 0.439 34 G N 0.199 108.935 108.800 -0.107 0.000 2.148 34 G HA2 -0.348 3.771 3.960 0.265 0.000 0.254 34 G HA3 -0.348 3.771 3.960 0.265 0.000 0.254 34 G C -0.115 174.754 174.900 -0.051 0.000 0.981 34 G CA 0.668 45.715 45.100 -0.089 0.000 0.670 34 G HN 0.787 nan 8.290 nan 0.000 0.528 35 Q N -0.449 119.346 119.800 -0.008 0.000 2.413 35 Q HA 0.554 5.053 4.340 0.265 0.000 0.276 35 Q C -0.542 175.542 176.000 0.139 0.000 1.099 35 Q CA -0.979 54.814 55.803 -0.017 0.000 0.814 35 Q CB 0.922 29.519 28.738 -0.236 0.000 1.379 35 Q HN 0.228 nan 8.270 nan 0.000 0.436 36 N N 1.517 120.273 118.700 0.093 0.000 2.513 36 N HA 0.464 5.363 4.740 0.265 0.000 0.274 36 N C -1.218 174.544 175.510 0.419 0.000 1.189 36 N CA 0.113 53.255 53.050 0.153 0.000 0.975 36 N CB 0.527 39.024 38.487 0.017 0.000 1.157 36 N HN 0.425 nan 8.380 nan 0.000 0.465 37 F N -1.948 118.072 119.950 0.117 0.000 2.596 37 F HA 0.434 5.124 4.527 0.272 0.000 0.311 37 F C -0.524 175.330 175.800 0.091 0.000 1.116 37 F CA -1.105 56.979 58.000 0.141 0.000 0.957 37 F CB 1.173 40.180 39.000 0.011 0.000 1.250 37 F HN 0.256 nan 8.300 nan 0.000 0.444 38 Q N 3.035 122.947 119.800 0.187 0.000 2.256 38 Q HA 0.758 5.257 4.340 0.265 0.000 0.257 38 Q C -1.282 174.742 176.000 0.040 0.000 0.936 38 Q CA -0.932 54.879 55.803 0.014 0.000 0.903 38 Q CB 2.260 31.008 28.738 0.017 0.000 1.263 38 Q HN 0.894 nan 8.270 nan 0.000 0.440 39 V N 0.844 120.711 119.914 -0.078 0.000 2.914 39 V HA 0.611 4.890 4.120 0.265 0.000 0.314 39 V C -1.272 174.749 176.094 -0.122 0.000 1.084 39 V CA -1.157 61.087 62.300 -0.094 0.000 0.963 39 V CB 1.814 33.516 31.823 -0.202 0.000 1.025 39 V HN 0.606 nan 8.190 nan 0.000 0.432 40 L N 3.467 124.612 121.223 -0.129 0.000 2.287 40 L HA 0.672 5.170 4.340 0.265 0.000 0.287 40 L C -0.237 176.561 176.870 -0.119 0.000 1.022 40 L CA -0.358 54.420 54.840 -0.103 0.000 0.814 40 L CB 1.257 43.269 42.059 -0.079 0.000 1.217 40 L HN 0.857 nan 8.230 nan 0.000 0.420 41 M N 4.998 124.549 119.600 -0.081 0.000 2.023 41 M HA 0.491 5.130 4.480 0.265 0.000 0.325 41 M C -0.933 175.340 176.300 -0.045 0.000 0.963 41 M CA -0.186 55.073 55.300 -0.069 0.000 0.928 41 M CB 0.655 33.239 32.600 -0.026 0.000 1.429 41 M HN 0.378 nan 8.290 nan 0.000 0.404 42 I N 5.925 126.467 120.570 -0.046 0.000 2.363 42 I HA 0.146 4.475 4.170 0.265 0.000 0.292 42 I C -0.057 176.043 176.117 -0.028 0.000 1.075 42 I CA -0.239 61.042 61.300 -0.032 0.000 1.333 42 I CB 0.498 38.482 38.000 -0.027 0.000 1.415 42 I HN 0.571 nan 8.210 nan 0.000 0.502 43 M N 5.511 125.096 119.600 -0.024 0.000 2.283 43 M HA 0.152 4.791 4.480 0.265 0.000 0.314 43 M C 1.397 177.685 176.300 -0.019 0.000 1.153 43 M CA -0.426 54.859 55.300 -0.024 0.000 1.084 43 M CB 0.491 33.078 32.600 -0.021 0.000 1.468 43 M HN 0.547 nan 8.290 nan 0.000 0.474 44 N N 1.181 119.870 118.700 -0.019 0.000 2.381 44 N HA -0.128 4.771 4.740 0.265 0.000 0.182 44 N C -0.002 175.501 175.510 -0.012 0.000 1.025 44 N CA 1.011 54.052 53.050 -0.015 0.000 0.888 44 N CB 0.131 38.609 38.487 -0.016 0.000 0.965 44 N HN 0.778 nan 8.380 nan 0.000 0.438 45 K N -2.383 118.010 120.400 -0.013 0.000 2.305 45 K HA 0.642 5.121 4.320 0.265 0.000 0.268 45 K C -0.237 176.358 176.600 -0.008 0.000 1.034 45 K CA -0.937 55.344 56.287 -0.009 0.000 0.879 45 K CB 0.435 32.930 32.500 -0.008 0.000 1.506 45 K HN -0.114 nan 8.250 nan 0.000 0.425 46 G N 0.430 109.226 108.800 -0.006 0.000 2.476 46 G HA2 0.441 4.560 3.960 0.265 0.000 0.286 46 G HA3 0.441 4.560 3.960 0.265 0.000 0.286 46 G C -1.088 173.811 174.900 -0.001 0.000 1.177 46 G CA -0.724 44.374 45.100 -0.004 0.000 0.870 46 G HN 0.363 nan 8.290 nan 0.000 0.528 47 L N 1.263 122.486 121.223 0.001 0.000 2.380 47 L HA 0.590 5.089 4.340 0.265 0.000 0.273 47 L C 0.874 177.748 176.870 0.006 0.000 1.138 47 L CA 0.076 54.919 54.840 0.005 0.000 0.832 47 L CB 0.832 42.896 42.059 0.009 0.000 1.124 47 L HN 0.537 nan 8.230 nan 0.000 0.454 48 G N 1.700 110.505 108.800 0.009 0.000 2.389 48 G HA2 0.397 4.516 3.960 0.265 0.000 0.328 48 G HA3 0.397 4.516 3.960 0.265 0.000 0.328 48 G C 0.656 175.561 174.900 0.010 0.000 1.133 48 G CA 0.133 45.239 45.100 0.009 0.000 0.891 48 G HN 0.844 nan 8.290 nan 0.000 0.485 49 S N 0.570 116.274 115.700 0.006 0.000 2.469 49 S HA -0.145 4.484 4.470 0.265 0.000 0.238 49 S C 1.424 176.025 174.600 0.002 0.000 0.998 49 S CA 1.302 59.504 58.200 0.004 0.000 0.957 49 S CB -0.060 63.141 63.200 0.002 0.000 0.764 49 S HN 0.521 nan 8.310 nan 0.000 0.514 50 N N 1.120 119.825 118.700 0.007 0.000 2.234 50 N HA 0.236 5.135 4.740 0.265 0.000 0.227 50 N C -0.511 175.013 175.510 0.024 0.000 1.151 50 N CA -0.196 52.860 53.050 0.009 0.000 0.865 50 N CB 0.475 38.969 38.487 0.012 0.000 1.066 50 N HN 0.533 nan 8.380 nan 0.000 0.515 51 E N -0.034 120.183 120.200 0.028 0.000 2.249 51 E HA 0.456 4.965 4.350 0.265 0.000 0.263 51 E C -0.647 175.984 176.600 0.051 0.000 0.950 51 E CA -0.832 55.602 56.400 0.057 0.000 0.827 51 E CB 2.256 31.983 29.700 0.045 0.000 1.220 51 E HN 0.030 nan 8.360 nan 0.000 0.411 52 R N 1.497 122.062 120.500 0.109 0.000 2.626 52 R HA 0.425 4.923 4.340 0.265 0.000 0.274 52 R C -1.841 174.551 176.300 0.153 0.000 1.031 52 R CA -0.505 55.641 56.100 0.075 0.000 0.898 52 R CB 1.051 31.292 30.300 -0.098 0.000 1.222 52 R HN 0.433 nan 8.270 nan 0.000 0.455 53 L N 3.759 125.026 121.223 0.073 0.000 2.343 53 L HA 0.477 4.976 4.340 0.265 0.000 0.278 53 L C -0.520 176.338 176.870 -0.020 0.000 0.996 53 L CA -0.828 54.008 54.840 -0.008 0.000 0.831 53 L CB 1.920 43.934 42.059 -0.075 0.000 1.232 53 L HN 0.546 nan 8.230 nan 0.000 0.413 54 E N 3.443 123.610 120.200 -0.055 0.000 2.133 54 E HA 0.378 4.887 4.350 0.265 0.000 0.274 54 E C -1.051 175.373 176.600 -0.294 0.000 0.930 54 E CA -0.508 55.856 56.400 -0.061 0.000 0.770 54 E CB 2.181 31.923 29.700 0.070 0.000 1.104 54 E HN 0.216 nan 8.360 nan 0.000 0.403 55 F N 2.309 122.011 119.950 -0.414 0.000 2.384 55 F HA 0.367 5.053 4.527 0.265 0.000 0.338 55 F C 0.683 176.089 175.800 -0.657 0.000 1.103 55 F CA -0.336 57.293 58.000 -0.618 0.000 1.157 55 F CB 0.790 39.172 39.000 -1.029 0.000 1.167 55 F HN 0.243 nan 8.300 nan 0.000 0.529 56 I N 4.462 124.918 120.570 -0.189 0.000 2.468 56 I HA 0.381 4.710 4.170 0.265 0.000 0.285 56 I C -1.084 175.044 176.117 0.018 0.000 1.039 56 I CA -0.961 60.282 61.300 -0.096 0.000 1.074 56 I CB 1.636 39.601 38.000 -0.057 0.000 1.228 56 I HN 0.299 nan 8.210 nan 0.000 0.436 57 V N 2.842 122.760 119.914 0.007 0.000 2.715 57 V HA 0.964 5.243 4.120 0.265 0.000 0.310 57 V C -0.153 175.964 176.094 0.038 0.000 1.054 57 V CA -0.368 61.959 62.300 0.045 0.000 0.928 57 V CB 1.695 33.444 31.823 -0.124 0.000 1.007 57 V HN 0.810 nan 8.190 nan 0.000 0.437 58 S N 1.597 117.381 115.700 0.139 0.000 2.570 58 S HA 0.828 5.457 4.470 0.265 0.000 0.270 58 S C -0.652 173.884 174.600 -0.107 0.000 1.149 58 S CA -0.354 57.883 58.200 0.062 0.000 0.837 58 S CB 1.932 65.132 63.200 0.001 0.000 1.124 58 S HN 1.469 nan 8.310 nan 0.000 0.465 59 T N 0.109 114.498 114.554 -0.276 0.000 2.900 59 T HA 0.749 5.257 4.350 0.265 0.000 0.303 59 T C 0.246 174.795 174.700 -0.252 0.000 1.142 59 T CA 0.960 62.745 62.100 -0.526 0.000 1.007 59 T CB 0.746 68.933 68.868 -1.134 0.000 1.156 59 T HN 2.519 nan 8.240 nan 0.000 0.490 60 G N 4.051 112.727 108.800 -0.207 0.000 2.860 60 G HA2 -0.113 4.006 3.960 0.265 0.000 0.553 60 G HA3 -0.113 4.006 3.960 0.265 0.000 0.553 60 G C -1.695 173.139 174.900 -0.110 0.000 1.439 60 G CA -0.181 44.874 45.100 -0.075 0.000 0.879 60 G HN 0.649 nan 8.290 nan 0.000 0.545 61 P HA 0.031 nan 4.420 nan 0.000 0.237 61 P C -0.082 176.733 177.300 -0.809 0.000 1.178 61 P CA 1.339 64.164 63.100 -0.458 0.000 0.766 61 P CB 0.046 31.440 31.700 -0.509 0.000 0.876 62 Y N -0.876 119.412 120.300 -0.021 0.000 2.558 62 Y HA 0.374 5.083 4.550 0.266 0.000 0.316 62 Y C -2.393 173.496 175.900 -0.019 0.000 0.967 62 Y CA -3.005 55.079 58.100 -0.026 0.000 1.126 62 Y CB -0.119 38.318 38.460 -0.039 0.000 1.155 62 Y HN -0.091 nan 8.280 nan 0.000 0.628 63 P HA -0.091 nan 4.420 nan 0.000 0.251 63 P C 0.081 177.423 177.300 0.071 0.000 1.154 63 P CA 0.906 64.031 63.100 0.042 0.000 0.805 63 P CB 0.522 32.227 31.700 0.008 0.000 0.759 64 S N 2.865 118.611 115.700 0.076 0.000 2.519 64 S HA 0.180 4.809 4.470 0.265 0.000 0.309 64 S C 1.278 175.922 174.600 0.074 0.000 1.100 64 S CA -0.705 57.538 58.200 0.070 0.000 1.059 64 S CB 0.660 63.898 63.200 0.064 0.000 1.008 64 S HN 0.256 nan 8.310 nan 0.000 0.478 65 E N 3.415 123.657 120.200 0.070 0.000 2.051 65 E HA -0.119 4.390 4.350 0.265 0.000 0.192 65 E C 1.848 178.501 176.600 0.089 0.000 0.991 65 E CA 1.574 58.024 56.400 0.083 0.000 0.799 65 E CB -0.989 28.757 29.700 0.078 0.000 0.748 65 E HN 0.734 nan 8.360 nan 0.000 0.449 66 S N 0.634 116.376 115.700 0.070 0.000 2.555 66 S HA 0.219 4.848 4.470 0.265 0.000 0.230 66 S C 1.798 176.436 174.600 0.064 0.000 0.978 66 S CA 0.553 58.792 58.200 0.064 0.000 0.934 66 S CB 0.048 63.276 63.200 0.046 0.000 0.766 66 S HN 0.332 nan 8.310 nan 0.000 0.533 67 A N 0.500 123.361 122.820 0.068 0.000 2.387 67 A HA 0.620 5.099 4.320 0.265 0.000 0.234 67 A C 1.129 178.769 177.584 0.095 0.000 1.253 67 A CA -0.073 52.002 52.037 0.063 0.000 0.894 67 A CB -0.628 18.401 19.000 0.049 0.000 0.963 67 A HN 0.429 nan 8.150 nan 0.000 0.508 68 M N -1.263 118.413 119.600 0.127 0.000 2.875 68 M HA -0.223 4.416 4.480 0.265 0.000 0.178 68 M C 1.251 177.685 176.300 0.223 0.000 0.644 68 M CA 1.443 56.859 55.300 0.194 0.000 0.665 68 M CB -2.030 30.688 32.600 0.196 0.000 2.406 68 M HN 0.670 nan 8.290 nan 0.000 0.333 69 T N -2.651 111.993 114.554 0.151 0.000 3.107 69 T HA 0.251 4.760 4.350 0.265 0.000 0.249 69 T C 0.306 175.071 174.700 0.108 0.000 1.096 69 T CA 0.417 62.590 62.100 0.123 0.000 1.012 69 T CB 0.465 69.373 68.868 0.067 0.000 0.977 69 T HN 0.522 nan 8.240 nan 0.000 0.527 70 K N 0.130 120.596 120.400 0.111 0.000 2.523 70 K HA 0.672 5.151 4.320 0.265 0.000 0.257 70 K C -2.140 174.482 176.600 0.037 0.000 0.932 70 K CA -0.832 55.492 56.287 0.061 0.000 0.812 70 K CB 2.183 34.713 32.500 0.051 0.000 1.326 70 K HN 0.129 nan 8.250 nan 0.000 0.433 71 A N 2.296 125.089 122.820 -0.044 0.000 2.488 71 A HA 0.620 5.099 4.320 0.265 0.000 0.298 71 A C -1.726 175.921 177.584 0.104 0.000 1.044 71 A CA -0.646 51.387 52.037 -0.006 0.000 0.693 71 A CB 1.951 20.749 19.000 -0.336 0.000 1.272 71 A HN 0.316 nan 8.150 nan 0.000 0.402 72 V N 3.003 123.037 119.914 0.200 0.000 2.409 72 V HA 0.635 4.914 4.120 0.265 0.000 0.290 72 V C -1.272 174.977 176.094 0.258 0.000 1.017 72 V CA -0.306 62.063 62.300 0.115 0.000 0.841 72 V CB 0.533 32.398 31.823 0.070 0.000 1.003 72 V HN 0.821 nan 8.190 nan 0.000 0.426 73 F N 4.197 124.245 119.950 0.164 0.000 2.551 73 F HA 0.928 5.613 4.527 0.264 0.000 0.316 73 F C -3.054 172.877 175.800 0.219 0.000 1.089 73 F CA -3.586 54.522 58.000 0.180 0.000 0.915 73 F CB 1.322 40.444 39.000 0.202 0.000 1.186 73 F HN 0.200 nan 8.300 nan 0.000 0.456 74 P HA 0.239 nan 4.420 nan 0.000 0.276 74 P C -0.973 176.482 177.300 0.257 0.000 1.244 74 P CA -0.450 62.765 63.100 0.191 0.000 0.801 74 P CB 1.029 32.795 31.700 0.110 0.000 1.006 75 L N 1.987 123.350 121.223 0.233 0.000 2.295 75 L HA 0.321 4.820 4.340 0.265 0.000 0.288 75 L C -0.217 176.727 176.870 0.122 0.000 1.079 75 L CA 0.841 55.813 54.840 0.221 0.000 0.830 75 L CB -0.777 41.438 42.059 0.259 0.000 1.200 75 L HN 0.262 nan 8.230 nan 0.000 0.438 76 S N 3.521 119.280 115.700 0.098 0.000 2.753 76 S HA 0.499 5.128 4.470 0.265 0.000 0.302 76 S C 0.608 175.229 174.600 0.036 0.000 1.104 76 S CA -0.762 57.473 58.200 0.059 0.000 0.968 76 S CB 1.166 64.400 63.200 0.056 0.000 1.278 76 S HN 0.690 nan 8.310 nan 0.000 0.549 77 N N -0.137 118.577 118.700 0.022 0.000 2.348 77 N HA 0.206 5.104 4.740 0.265 0.000 0.183 77 N C 0.633 176.146 175.510 0.005 0.000 1.094 77 N CA 0.229 53.285 53.050 0.011 0.000 0.885 77 N CB 0.408 38.900 38.487 0.008 0.000 1.065 77 N HN 0.598 nan 8.380 nan 0.000 0.472 78 G N -0.407 108.398 108.800 0.009 0.000 2.702 78 G HA2 0.457 4.576 3.960 0.265 0.000 0.254 78 G HA3 0.457 4.576 3.960 0.265 0.000 0.254 78 G C -0.930 173.972 174.900 0.003 0.000 1.380 78 G CA -0.134 44.968 45.100 0.004 0.000 1.042 78 G HN 0.061 nan 8.290 nan 0.000 0.557 79 S N -1.655 114.044 115.700 -0.002 0.000 2.548 79 S HA 0.702 5.331 4.470 0.265 0.000 0.286 79 S C -0.773 173.825 174.600 -0.003 0.000 1.098 79 S CA -0.491 57.703 58.200 -0.009 0.000 0.930 79 S CB 1.688 64.872 63.200 -0.027 0.000 1.070 79 S HN 0.556 nan 8.310 nan 0.000 0.480 80 S N 1.938 117.636 115.700 -0.003 0.000 2.502 80 S HA 0.660 5.289 4.470 0.265 0.000 0.304 80 S C 0.363 174.953 174.600 -0.017 0.000 1.097 80 S CA -0.510 57.693 58.200 0.006 0.000 1.045 80 S CB 1.469 64.692 63.200 0.039 0.000 1.019 80 S HN 1.059 nan 8.310 nan 0.000 0.481 81 G N 1.509 110.301 108.800 -0.014 0.000 2.464 81 G HA2 0.413 4.532 3.960 0.265 0.000 0.231 81 G HA3 0.413 4.532 3.960 0.265 0.000 0.231 81 G C 0.810 175.688 174.900 -0.037 0.000 1.267 81 G CA 0.585 45.667 45.100 -0.030 0.000 0.863 81 G HN 1.331 nan 8.290 nan 0.000 0.559 82 G N 1.137 109.884 108.800 -0.089 0.000 2.542 82 G HA2 -0.191 3.928 3.960 0.265 0.000 0.235 82 G HA3 -0.191 3.928 3.960 0.265 0.000 0.235 82 G C 0.066 174.829 174.900 -0.227 0.000 1.286 82 G CA -0.020 45.004 45.100 -0.127 0.000 0.904 82 G HN 0.968 nan 8.290 nan 0.000 0.577 83 W N 1.798 122.957 121.300 -0.235 0.000 2.181 83 W HA 0.486 5.303 4.660 0.262 0.000 0.335 83 W C 0.979 177.062 176.519 -0.727 0.000 1.310 83 W CA 1.048 58.027 57.345 -0.611 0.000 1.226 83 W CB 0.987 30.010 29.460 -0.729 0.000 1.155 83 W HN 1.232 nan 8.180 nan 0.000 0.565 84 S N 0.964 116.225 115.700 -0.731 0.000 2.586 84 S HA 0.789 5.418 4.470 0.265 0.000 0.277 84 S C -1.268 173.283 174.600 -0.082 0.000 1.131 84 S CA -1.165 56.886 58.200 -0.249 0.000 0.848 84 S CB 1.058 64.212 63.200 -0.078 0.000 1.091 84 S HN 0.968 nan 8.310 nan 0.000 0.453 85 A N 1.283 124.238 122.820 0.224 0.000 2.356 85 A HA 0.838 5.317 4.320 0.265 0.000 0.310 85 A C -0.989 176.603 177.584 0.012 0.000 1.075 85 A CA -0.849 51.205 52.037 0.028 0.000 0.746 85 A CB 1.534 20.479 19.000 -0.092 0.000 1.221 85 A HN 1.329 nan 8.150 nan 0.000 0.443 86 V N 3.106 122.984 119.914 -0.061 0.000 2.444 86 V HA 0.293 4.572 4.120 0.265 0.000 0.294 86 V C -0.475 175.599 176.094 -0.033 0.000 1.022 86 V CA -0.499 61.784 62.300 -0.029 0.000 0.850 86 V CB 1.491 33.290 31.823 -0.040 0.000 0.992 86 V HN 0.835 nan 8.190 nan 0.000 0.426 87 L N 5.373 126.596 121.223 -0.001 0.000 2.454 87 L HA 0.243 4.742 4.340 0.265 0.000 0.284 87 L C 1.324 178.185 176.870 -0.015 0.000 1.139 87 L CA 0.931 55.770 54.840 -0.002 0.000 0.911 87 L CB 0.352 42.423 42.059 0.019 0.000 1.262 87 L HN 0.738 nan 8.230 nan 0.000 0.453 88 Q N 3.694 123.476 119.800 -0.030 0.000 2.137 88 Q HA 0.262 4.761 4.340 0.265 0.000 0.198 88 Q C 0.242 176.227 176.000 -0.026 0.000 0.960 88 Q CA 1.044 56.829 55.803 -0.031 0.000 0.847 88 Q CB 0.162 28.875 28.738 -0.042 0.000 0.915 88 Q HN 0.786 nan 8.270 nan 0.000 0.448 89 A N 0.158 122.962 122.820 -0.028 0.000 2.589 89 A HA 0.547 5.026 4.320 0.265 0.000 0.296 89 A C -1.389 176.182 177.584 -0.021 0.000 1.062 89 A CA -0.575 51.447 52.037 -0.025 0.000 0.686 89 A CB 2.114 21.095 19.000 -0.032 0.000 1.282 89 A HN -0.062 nan 8.150 nan 0.000 0.404 90 S N 1.706 117.396 115.700 -0.016 0.000 2.707 90 S HA 0.652 5.281 4.470 0.265 0.000 0.303 90 S C -1.445 173.146 174.600 -0.015 0.000 1.132 90 S CA -0.660 57.532 58.200 -0.013 0.000 1.046 90 S CB 0.190 63.386 63.200 -0.007 0.000 1.004 90 S HN 0.628 nan 8.310 nan 0.000 0.483 91 N N 3.029 121.719 118.700 -0.017 0.000 2.371 91 N HA 0.515 5.413 4.740 0.265 0.000 0.291 91 N C 0.606 176.106 175.510 -0.015 0.000 1.053 91 N CA 0.171 53.211 53.050 -0.017 0.000 0.870 91 N CB 1.565 40.040 38.487 -0.020 0.000 1.503 91 N HN 0.958 nan 8.380 nan 0.000 0.485 92 G N 2.848 111.641 108.800 -0.012 0.000 2.583 92 G HA2 -0.362 3.757 3.960 0.265 0.000 0.292 92 G HA3 -0.362 3.757 3.960 0.265 0.000 0.292 92 G C 0.324 175.217 174.900 -0.011 0.000 1.203 92 G CA 0.106 45.199 45.100 -0.011 0.000 0.987 92 G HN 0.601 nan 8.290 nan 0.000 0.554 93 N N 0.987 119.679 118.700 -0.012 0.000 2.230 93 N HA 0.170 5.069 4.740 0.265 0.000 0.202 93 N C 0.305 175.805 175.510 -0.016 0.000 1.119 93 N CA 0.751 53.794 53.050 -0.013 0.000 0.851 93 N CB 0.552 39.032 38.487 -0.012 0.000 0.990 93 N HN 0.486 nan 8.380 nan 0.000 0.497 94 T N 1.825 116.368 114.554 -0.018 0.000 2.780 94 T HA 0.383 4.892 4.350 0.265 0.000 0.294 94 T C 0.391 175.077 174.700 -0.023 0.000 0.949 94 T CA -0.191 61.894 62.100 -0.024 0.000 1.074 94 T CB 1.034 69.885 68.868 -0.028 0.000 0.910 94 T HN -0.037 nan 8.240 nan 0.000 0.501 95 L N 3.534 124.744 121.223 -0.022 0.000 2.296 95 L HA 0.383 4.882 4.340 0.265 0.000 0.286 95 L C 0.456 177.308 176.870 -0.030 0.000 1.023 95 L CA -0.765 54.066 54.840 -0.015 0.000 0.812 95 L CB 1.319 43.383 42.059 0.009 0.000 1.223 95 L HN 0.556 nan 8.230 nan 0.000 0.421 96 T N 4.921 119.453 114.554 -0.037 0.000 2.811 96 T HA 0.519 5.028 4.350 0.265 0.000 0.309 96 T C 0.049 174.712 174.700 -0.061 0.000 1.005 96 T CA -0.082 61.983 62.100 -0.058 0.000 0.955 96 T CB 0.007 68.838 68.868 -0.061 0.000 0.970 96 T HN 0.268 nan 8.240 nan 0.000 0.496 97 I N 2.127 122.646 120.570 -0.084 0.000 2.404 97 I HA 0.398 4.726 4.170 0.265 0.000 0.293 97 I C 0.406 176.407 176.117 -0.192 0.000 0.992 97 I CA -0.766 60.462 61.300 -0.119 0.000 1.149 97 I CB 1.924 39.853 38.000 -0.118 0.000 1.315 97 I HN 0.418 nan 8.210 nan 0.000 0.446 98 S N 7.003 122.589 115.700 -0.190 0.000 2.422 98 S HA 0.621 5.250 4.470 0.265 0.000 0.308 98 S C -0.517 173.882 174.600 -0.335 0.000 1.097 98 S CA -0.502 57.559 58.200 -0.232 0.000 1.099 98 S CB 0.199 63.319 63.200 -0.134 0.000 0.976 98 S HN 0.403 nan 8.310 nan 0.000 0.471 99 I N 4.074 124.290 120.570 -0.591 0.000 2.498 99 I HA 0.499 4.828 4.170 0.265 0.000 0.301 99 I C 0.028 175.837 176.117 -0.514 0.000 0.984 99 I CA -0.552 60.375 61.300 -0.621 0.000 1.204 99 I CB 2.145 39.614 38.000 -0.885 0.000 1.362 99 I HN 0.704 nan 8.210 nan 0.000 0.471 100 S N 2.803 118.318 115.700 -0.308 0.000 2.540 100 S HA 0.689 5.318 4.470 0.265 0.000 0.275 100 S C -0.595 173.763 174.600 -0.403 0.000 1.123 100 S CA -0.746 57.316 58.200 -0.229 0.000 0.907 100 S CB 1.824 64.908 63.200 -0.193 0.000 1.081 100 S HN 0.669 nan 8.310 nan 0.000 0.476 101 S N 1.199 116.568 115.700 -0.551 0.000 2.718 101 S HA 0.820 5.449 4.470 0.265 0.000 0.300 101 S C -3.064 171.072 174.600 -0.773 0.000 1.117 101 S CA -1.657 55.783 58.200 -1.266 0.000 1.002 101 S CB 1.104 63.405 63.200 -1.499 0.000 1.092 101 S HN 0.684 nan 8.310 nan 0.000 0.542 102 P HA 0.327 nan 4.420 nan 0.000 0.288 102 P C 0.375 177.543 177.300 -0.221 0.000 1.267 102 P CA -0.470 62.408 63.100 -0.369 0.000 0.815 102 P CB 1.350 32.893 31.700 -0.262 0.000 0.989 103 A N 3.175 125.930 122.820 -0.110 0.000 2.186 103 A HA -0.131 4.348 4.320 0.265 0.000 0.219 103 A C 1.576 179.177 177.584 0.029 0.000 1.159 103 A CA 1.875 53.898 52.037 -0.022 0.000 0.680 103 A CB -1.153 17.850 19.000 0.005 0.000 0.787 103 A HN 0.635 nan 8.150 nan 0.000 0.467 104 S N -1.465 114.243 115.700 0.013 0.000 2.601 104 S HA 0.652 5.281 4.470 0.265 0.000 0.244 104 S C 0.539 175.189 174.600 0.083 0.000 1.001 104 S CA 0.081 58.320 58.200 0.065 0.000 0.984 104 S CB -0.269 62.969 63.200 0.063 0.000 0.842 104 S HN 0.743 nan 8.310 nan 0.000 0.474 105 A N 2.423 125.277 122.820 0.057 0.000 2.332 105 A HA 0.675 5.154 4.320 0.265 0.000 0.258 105 A C -2.761 174.926 177.584 0.172 0.000 1.087 105 A CA -1.594 50.543 52.037 0.166 0.000 0.802 105 A CB -0.284 18.801 19.000 0.142 0.000 1.042 105 A HN 0.307 nan 8.150 nan 0.000 0.489 106 P HA 0.300 nan 4.420 nan 0.000 0.279 106 P C -0.116 177.279 177.300 0.158 0.000 1.239 106 P CA -0.175 63.020 63.100 0.158 0.000 0.789 106 P CB 0.543 32.337 31.700 0.157 0.000 0.933 107 I N -0.419 120.106 120.570 -0.075 0.000 3.079 107 I HA 0.789 5.118 4.170 0.265 0.000 0.295 107 I C 0.675 176.797 176.117 0.008 0.000 1.094 107 I CA -0.180 61.054 61.300 -0.111 0.000 1.295 107 I CB 0.125 37.830 38.000 -0.493 0.000 1.443 107 I HN 0.625 nan 8.210 nan 0.000 0.607 108 G N 2.374 111.193 108.800 0.031 0.000 2.343 108 G HA2 -0.010 4.109 3.960 0.265 0.000 0.562 108 G HA3 -0.010 4.109 3.960 0.265 0.000 0.562 108 G C -0.993 173.880 174.900 -0.044 0.000 1.269 108 G CA -1.058 44.016 45.100 -0.042 0.000 1.011 108 G HN 0.856 nan 8.290 nan 0.000 0.498 109 R N -0.314 120.088 120.500 -0.164 0.000 2.340 109 R HA 0.554 5.053 4.340 0.265 0.000 0.300 109 R C -0.794 175.290 176.300 -0.359 0.000 1.069 109 R CA 0.009 55.991 56.100 -0.197 0.000 0.984 109 R CB 0.570 30.762 30.300 -0.180 0.000 1.003 109 R HN 0.468 nan 8.270 nan 0.000 0.459 110 Y N -0.247 119.755 120.300 -0.495 0.000 2.630 110 Y HA 0.388 5.095 4.550 0.261 0.000 0.337 110 Y C 0.395 175.975 175.900 -0.533 0.000 1.051 110 Y CA -0.626 57.118 58.100 -0.592 0.000 1.121 110 Y CB 2.528 40.385 38.460 -1.004 0.000 1.299 110 Y HN 0.382 nan 8.280 nan 0.000 0.498 111 T N 2.646 117.121 114.554 -0.131 0.000 2.879 111 T HA 0.443 4.952 4.350 0.265 0.000 0.290 111 T C -1.152 173.612 174.700 0.106 0.000 0.993 111 T CA -0.644 61.430 62.100 -0.042 0.000 0.975 111 T CB 0.777 69.626 68.868 -0.032 0.000 0.981 111 T HN 0.509 nan 8.240 nan 0.000 0.439 112 M N 3.493 123.239 119.600 0.242 0.000 2.294 112 M HA 0.768 5.407 4.480 0.265 0.000 0.335 112 M C -0.950 175.513 176.300 0.271 0.000 1.079 112 M CA -0.518 55.011 55.300 0.382 0.000 0.982 112 M CB 0.877 33.910 32.600 0.721 0.000 1.651 112 M HN 0.739 nan 8.290 nan 0.000 0.437 113 A N 4.101 127.017 122.820 0.160 0.000 2.430 113 A HA 0.891 5.369 4.320 0.265 0.000 0.300 113 A C -2.041 175.505 177.584 -0.063 0.000 1.124 113 A CA -0.740 51.329 52.037 0.053 0.000 0.766 113 A CB 1.749 20.756 19.000 0.011 0.000 1.328 113 A HN 0.779 nan 8.150 nan 0.000 0.424 114 L N 0.130 121.267 121.223 -0.144 0.000 2.365 114 L HA 0.565 5.064 4.340 0.265 0.000 0.273 114 L C -0.379 176.353 176.870 -0.230 0.000 1.000 114 L CA -0.059 54.591 54.840 -0.315 0.000 0.819 114 L CB 1.965 43.802 42.059 -0.369 0.000 1.284 114 L HN 0.787 nan 8.230 nan 0.000 0.418 115 Q N 4.890 124.548 119.800 -0.237 0.000 2.341 115 Q HA 0.560 5.059 4.340 0.265 0.000 0.268 115 Q C -1.559 174.347 176.000 -0.156 0.000 1.013 115 Q CA -0.486 55.210 55.803 -0.178 0.000 0.798 115 Q CB 1.333 30.007 28.738 -0.107 0.000 1.253 115 Q HN 0.716 nan 8.270 nan 0.000 0.457 116 I N 3.911 124.364 120.570 -0.195 0.000 2.378 116 I HA 0.305 4.634 4.170 0.265 0.000 0.291 116 I C -0.855 175.153 176.117 -0.182 0.000 0.992 116 I CA -0.681 60.548 61.300 -0.118 0.000 1.154 116 I CB 1.081 39.015 38.000 -0.109 0.000 1.315 116 I HN 0.561 nan 8.210 nan 0.000 0.448 117 F N 4.949 124.862 119.950 -0.061 0.000 2.313 117 F HA 0.407 5.093 4.527 0.264 0.000 0.369 117 F C 0.566 176.345 175.800 -0.034 0.000 1.109 117 F CA -0.041 57.934 58.000 -0.041 0.000 1.132 117 F CB 1.264 40.244 39.000 -0.033 0.000 1.291 117 F HN 0.356 nan 8.300 nan 0.000 0.496 118 S N 2.537 118.274 115.700 0.062 0.000 2.541 118 S HA 0.306 4.935 4.470 0.265 0.000 0.271 118 S C -0.763 173.850 174.600 0.022 0.000 1.133 118 S CA -0.678 57.546 58.200 0.041 0.000 0.876 118 S CB 1.140 64.345 63.200 0.008 0.000 1.105 118 S HN 0.663 nan 8.310 nan 0.000 0.470 119 Q N 2.091 121.906 119.800 0.025 0.000 2.388 119 Q HA -0.249 4.250 4.340 0.265 0.000 0.346 119 Q C 1.105 177.114 176.000 0.014 0.000 1.319 119 Q CA 0.976 56.788 55.803 0.015 0.000 1.023 119 Q CB -2.047 26.693 28.738 0.003 0.000 1.247 119 Q HN 1.652 nan 8.270 nan 0.000 0.411 120 G N -2.209 106.610 108.800 0.032 0.000 2.267 120 G HA2 -0.315 3.804 3.960 0.265 0.000 0.257 120 G HA3 -0.315 3.804 3.960 0.265 0.000 0.257 120 G C 0.420 175.329 174.900 0.015 0.000 0.998 120 G CA 0.146 45.264 45.100 0.030 0.000 0.620 120 G HN 0.966 nan 8.290 nan 0.000 0.529 121 G N -0.854 107.939 108.800 -0.013 0.000 2.820 121 G HA2 0.755 4.874 3.960 0.265 0.000 0.291 121 G HA3 0.755 4.874 3.960 0.265 0.000 0.291 121 G C -0.730 174.082 174.900 -0.147 0.000 1.323 121 G CA -0.808 44.255 45.100 -0.061 0.000 1.055 121 G HN 0.782 nan 8.290 nan 0.000 0.520 122 I N 0.784 121.221 120.570 -0.222 0.000 2.534 122 I HA 0.375 4.703 4.170 0.265 0.000 0.288 122 I C -0.110 175.841 176.117 -0.276 0.000 1.077 122 I CA -0.671 60.387 61.300 -0.404 0.000 1.051 122 I CB 2.327 39.988 38.000 -0.566 0.000 1.234 122 I HN 0.611 nan 8.210 nan 0.000 0.425 123 S N 3.468 119.012 115.700 -0.260 0.000 2.715 123 S HA 0.826 5.455 4.470 0.265 0.000 0.307 123 S C -0.577 173.917 174.600 -0.178 0.000 1.119 123 S CA -0.683 57.412 58.200 -0.175 0.000 0.937 123 S CB 2.270 65.394 63.200 -0.126 0.000 1.150 123 S HN 0.499 nan 8.310 nan 0.000 0.521 124 S N -0.307 115.317 115.700 -0.128 0.000 2.541 124 S HA 0.785 5.414 4.470 0.265 0.000 0.271 124 S C -1.672 172.880 174.600 -0.081 0.000 1.133 124 S CA -0.646 57.486 58.200 -0.114 0.000 0.876 124 S CB 1.681 64.822 63.200 -0.099 0.000 1.105 124 S HN 1.247 nan 8.310 nan 0.000 0.470 125 V N 3.112 122.983 119.914 -0.073 0.000 2.777 125 V HA 0.541 4.819 4.120 0.265 0.000 0.306 125 V C -0.965 175.123 176.094 -0.011 0.000 1.112 125 V CA -0.795 61.481 62.300 -0.040 0.000 0.917 125 V CB 1.853 33.651 31.823 -0.041 0.000 1.018 125 V HN 0.868 nan 8.190 nan 0.000 0.426 126 K N 4.870 125.281 120.400 0.018 0.000 2.368 126 K HA 0.334 4.813 4.320 0.265 0.000 0.282 126 K C 0.297 176.963 176.600 0.110 0.000 1.035 126 K CA -0.183 56.139 56.287 0.058 0.000 0.973 126 K CB 0.961 33.491 32.500 0.051 0.000 0.957 126 K HN 0.811 nan 8.250 nan 0.000 0.474 127 L N 2.738 124.077 121.223 0.192 0.000 2.357 127 L HA 0.258 4.757 4.340 0.265 0.000 0.211 127 L C 1.099 178.305 176.870 0.561 0.000 1.075 127 L CA 0.428 55.456 54.840 0.314 0.000 0.830 127 L CB 0.383 42.641 42.059 0.330 0.000 0.996 127 L HN 1.002 nan 8.230 nan 0.000 0.467 128 G N -0.525 108.547 108.800 0.455 0.000 2.345 128 G HA2 0.279 4.398 3.960 0.265 0.000 0.285 128 G HA3 0.279 4.398 3.960 0.265 0.000 0.285 128 G C -1.215 173.727 174.900 0.069 0.000 1.297 128 G CA -0.061 45.211 45.100 0.286 0.000 0.875 128 G HN -0.042 nan 8.290 nan 0.000 0.506 129 T N -1.914 112.534 114.554 -0.176 0.000 2.903 129 T HA 0.870 5.379 4.350 0.265 0.000 0.299 129 T C -0.830 173.720 174.700 -0.250 0.000 1.093 129 T CA -0.339 61.641 62.100 -0.199 0.000 1.002 129 T CB 2.104 70.869 68.868 -0.172 0.000 1.127 129 T HN 1.993 nan 8.240 nan 0.000 0.488 130 F N -0.731 119.092 119.950 -0.212 0.000 2.668 130 F HA 0.815 5.498 4.527 0.260 0.000 0.309 130 F C -1.741 174.011 175.800 -0.080 0.000 1.117 130 F CA -1.765 56.093 58.000 -0.236 0.000 0.951 130 F CB 1.014 39.826 39.000 -0.313 0.000 1.323 130 F HN 0.594 nan 8.300 nan 0.000 0.451 131 I N 2.856 123.470 120.570 0.074 0.000 2.385 131 I HA 0.438 4.767 4.170 0.265 0.000 0.294 131 I C -1.153 175.080 176.117 0.193 0.000 0.988 131 I CA -0.976 60.351 61.300 0.045 0.000 1.265 131 I CB 1.774 39.749 38.000 -0.043 0.000 1.388 131 I HN 0.535 nan 8.210 nan 0.000 0.480 132 L N 7.434 128.795 121.223 0.229 0.000 2.341 132 L HA 0.622 5.121 4.340 0.265 0.000 0.278 132 L C -0.812 176.117 176.870 0.099 0.000 1.005 132 L CA -0.116 54.857 54.840 0.220 0.000 0.818 132 L CB 1.308 43.561 42.059 0.322 0.000 1.259 132 L HN 0.452 nan 8.230 nan 0.000 0.418 133 L N 2.723 123.990 121.223 0.074 0.000 2.235 133 L HA 0.557 5.056 4.340 0.265 0.000 0.260 133 L C -0.660 176.237 176.870 0.045 0.000 1.025 133 L CA -0.955 53.911 54.840 0.043 0.000 0.836 133 L CB 1.338 43.505 42.059 0.179 0.000 1.395 133 L HN 0.304 nan 8.230 nan 0.000 0.443 134 F N 0.444 120.520 119.950 0.208 0.000 2.444 134 F HA 0.147 4.829 4.527 0.258 0.000 0.331 134 F C 0.803 176.770 175.800 0.278 0.000 1.167 134 F CA 0.045 58.170 58.000 0.209 0.000 1.262 134 F CB 0.230 39.340 39.000 0.182 0.000 1.196 134 F HN 0.320 nan 8.300 nan 0.000 0.583 135 N N 2.859 121.857 118.700 0.498 0.000 2.804 135 N HA 0.309 5.208 4.740 0.265 0.000 0.251 135 N C -2.339 173.454 175.510 0.473 0.000 1.250 135 N CA -2.127 51.217 53.050 0.490 0.000 0.820 135 N CB 0.929 39.636 38.487 0.366 0.000 1.156 135 N HN 0.066 nan 8.380 nan 0.000 0.512 136 P HA -0.022 nan 4.420 nan 0.000 0.226 136 P C 0.973 178.323 177.300 0.084 0.000 1.146 136 P CA 0.836 64.000 63.100 0.107 0.000 0.773 136 P CB 0.133 31.705 31.700 -0.213 0.000 0.772 137 W N -1.361 120.070 121.300 0.219 0.000 2.737 137 W HA 0.186 4.998 4.660 0.253 0.000 0.262 137 W C 0.686 177.393 176.519 0.313 0.000 1.282 137 W CA -0.019 57.456 57.345 0.217 0.000 1.386 137 W CB -0.100 29.405 29.460 0.075 0.000 1.099 137 W HN -0.076 nan 8.180 nan 0.000 0.621 138 L N 3.528 125.034 121.223 0.472 0.000 2.325 138 L HA -0.026 4.473 4.340 0.265 0.000 0.284 138 L C 1.384 178.244 176.870 -0.015 0.000 1.089 138 L CA -0.099 54.866 54.840 0.209 0.000 0.836 138 L CB 0.701 42.859 42.059 0.166 0.000 1.184 138 L HN -0.006 nan 8.230 nan 0.000 0.444 139 N N 3.344 121.737 118.700 -0.511 0.000 2.334 139 N HA -0.203 4.696 4.740 0.265 0.000 0.187 139 N C 0.908 176.095 175.510 -0.538 0.000 1.016 139 N CA 1.698 53.980 53.050 -1.280 0.000 0.879 139 N CB -0.340 37.610 38.487 -0.895 0.000 0.965 139 N HN 0.469 nan 8.380 nan 0.000 0.438 140 V N -4.692 115.099 119.914 -0.205 0.000 3.621 140 V HA 0.195 4.474 4.120 0.265 0.000 0.285 140 V C 0.483 176.598 176.094 0.036 0.000 1.346 140 V CA -0.469 61.789 62.300 -0.069 0.000 1.104 140 V CB -0.607 31.185 31.823 -0.052 0.000 0.913 140 V HN 0.142 nan 8.190 nan 0.000 0.432 141 D N 0.875 121.341 120.400 0.109 0.000 2.354 141 D HA 0.181 4.980 4.640 0.265 0.000 0.247 141 D C 1.026 177.448 176.300 0.203 0.000 1.138 141 D CA 0.512 54.624 54.000 0.187 0.000 0.958 141 D CB 2.318 43.280 40.800 0.270 0.000 1.144 141 D HN 0.275 nan 8.370 nan 0.000 0.458 142 S N 0.859 116.670 115.700 0.185 0.000 2.402 142 S HA -0.133 4.496 4.470 0.265 0.000 0.229 142 S C 1.762 176.461 174.600 0.165 0.000 1.021 142 S CA 0.975 59.260 58.200 0.142 0.000 0.974 142 S CB -0.193 63.060 63.200 0.090 0.000 0.800 142 S HN 0.575 nan 8.310 nan 0.000 0.484 143 V N -1.084 118.943 119.914 0.188 0.000 3.633 143 V HA 0.372 4.651 4.120 0.265 0.000 0.283 143 V C 0.485 176.768 176.094 0.316 0.000 1.305 143 V CA -0.652 61.784 62.300 0.226 0.000 1.153 143 V CB -1.582 30.311 31.823 0.116 0.000 0.950 143 V HN 0.272 nan 8.190 nan 0.000 0.432 144 F N 2.521 122.578 119.950 0.178 0.000 2.623 144 F HA 0.281 4.967 4.527 0.265 0.000 0.386 144 F C 0.111 176.033 175.800 0.204 0.000 1.068 144 F CA 0.222 58.309 58.000 0.146 0.000 1.265 144 F CB 0.359 39.428 39.000 0.116 0.000 1.026 144 F HN 0.281 nan 8.300 nan 0.000 0.568 145 M N 7.132 126.150 119.600 -0.970 0.000 2.090 145 M HA 0.330 4.969 4.480 0.265 0.000 0.277 145 M C 0.666 176.214 176.300 -1.253 0.000 0.935 145 M CA -0.192 54.497 55.300 -1.018 0.000 0.966 145 M CB 1.328 33.414 32.600 -0.856 0.000 1.635 145 M HN 0.756 nan 8.290 nan 0.000 0.446 146 G N 3.424 111.474 108.800 -1.249 0.000 2.418 146 G HA2 -0.184 3.935 3.960 0.265 0.000 0.217 146 G HA3 -0.184 3.935 3.960 0.265 0.000 0.217 146 G C 0.654 175.388 174.900 -0.276 0.000 1.158 146 G CA 0.198 44.950 45.100 -0.580 0.000 0.771 146 G HN 0.703 nan 8.290 nan 0.000 0.545 147 N N 0.184 118.706 118.700 -0.297 0.000 2.452 147 N HA -0.011 4.887 4.740 0.265 0.000 0.266 147 N C 1.102 176.504 175.510 -0.181 0.000 1.175 147 N CA -0.107 52.835 53.050 -0.181 0.000 0.945 147 N CB 0.834 39.214 38.487 -0.179 0.000 1.063 147 N HN 0.303 nan 8.380 nan 0.000 0.472 148 H N 4.568 123.543 119.070 -0.158 0.000 2.267 148 H HA -0.095 4.621 4.556 0.267 0.000 0.297 148 H C 1.746 176.985 175.328 -0.149 0.000 1.080 148 H CA 2.776 58.741 56.048 -0.137 0.000 1.278 148 H CB -0.076 29.654 29.762 -0.055 0.000 1.365 148 H HN 0.725 nan 8.280 nan 0.000 0.489 149 A N 0.546 123.272 122.820 -0.157 0.000 1.940 149 A HA -0.220 4.259 4.320 0.265 0.000 0.219 149 A C 2.278 179.677 177.584 -0.308 0.000 1.176 149 A CA 1.998 53.904 52.037 -0.219 0.000 0.631 149 A CB -0.521 18.425 19.000 -0.089 0.000 0.814 149 A HN 0.717 nan 8.150 nan 0.000 0.446 150 E N -1.016 119.008 120.200 -0.293 0.000 2.028 150 E HA -0.153 4.356 4.350 0.265 0.000 0.190 150 E C 2.377 178.741 176.600 -0.392 0.000 0.984 150 E CA 0.818 57.008 56.400 -0.349 0.000 0.800 150 E CB -0.203 29.370 29.700 -0.211 0.000 0.758 150 E HN 0.530 nan 8.360 nan 0.000 0.448 151 R N 0.948 121.210 120.500 -0.395 0.000 2.091 151 R HA -0.179 4.320 4.340 0.265 0.000 0.238 151 R C 2.045 178.128 176.300 -0.362 0.000 1.136 151 R CA 1.260 57.098 56.100 -0.438 0.000 0.959 151 R CB 0.022 29.920 30.300 -0.669 0.000 0.856 151 R HN 0.131 nan 8.270 nan 0.000 0.437 152 E N 0.280 120.246 120.200 -0.389 0.000 2.118 152 E HA -0.225 4.284 4.350 0.265 0.000 0.195 152 E C 1.781 178.261 176.600 -0.201 0.000 0.992 152 E CA 1.287 57.527 56.400 -0.267 0.000 0.804 152 E CB -0.044 29.442 29.700 -0.356 0.000 0.741 152 E HN 0.366 nan 8.360 nan 0.000 0.458 153 E N 0.163 120.162 120.200 -0.335 0.000 2.028 153 E HA -0.144 4.365 4.350 0.265 0.000 0.190 153 E C 1.252 177.689 176.600 -0.272 0.000 0.984 153 E CA 1.078 57.246 56.400 -0.386 0.000 0.800 153 E CB -0.304 28.950 29.700 -0.744 0.000 0.758 153 E HN 0.247 nan 8.360 nan 0.000 0.448 154 Y N -0.622 119.639 120.300 -0.065 0.000 2.471 154 Y HA 0.222 4.929 4.550 0.261 0.000 0.286 154 Y C 1.205 177.071 175.900 -0.057 0.000 1.188 154 Y CA -0.009 58.070 58.100 -0.036 0.000 1.286 154 Y CB 0.474 38.965 38.460 0.053 0.000 1.072 154 Y HN -0.029 nan 8.280 nan 0.000 0.517 155 V N -2.295 117.645 119.914 0.043 0.000 3.177 155 V HA -0.013 4.265 4.120 0.265 0.000 0.220 155 V C 1.565 177.736 176.094 0.129 0.000 1.395 155 V CA 0.218 62.555 62.300 0.062 0.000 1.317 155 V CB 0.271 32.095 31.823 0.003 0.000 1.148 155 V HN 0.017 nan 8.190 nan 0.000 0.499 156 Q N 0.554 120.447 119.800 0.155 0.000 2.402 156 Q HA 0.129 4.628 4.340 0.265 0.000 0.206 156 Q C 0.790 176.984 176.000 0.324 0.000 0.919 156 Q CA 0.306 56.299 55.803 0.316 0.000 0.923 156 Q CB 0.406 29.279 28.738 0.224 0.000 1.048 156 Q HN 0.597 nan 8.270 nan 0.000 0.515 157 E N 2.926 123.226 120.200 0.166 0.000 2.257 157 E HA -0.018 4.491 4.350 0.265 0.000 0.278 157 E C -0.066 176.684 176.600 0.251 0.000 1.049 157 E CA -0.044 56.466 56.400 0.183 0.000 0.876 157 E CB 0.575 30.339 29.700 0.106 0.000 1.035 157 E HN 0.087 nan 8.360 nan 0.000 0.419 158 D N 2.986 123.577 120.400 0.318 0.000 2.363 158 D HA 0.167 4.966 4.640 0.265 0.000 0.214 158 D C -0.329 176.189 176.300 0.364 0.000 1.093 158 D CA -0.309 53.896 54.000 0.342 0.000 0.837 158 D CB 0.189 41.187 40.800 0.329 0.000 0.948 158 D HN 0.254 nan 8.370 nan 0.000 0.507 159 A N -0.217 122.794 122.820 0.317 0.000 2.386 159 A HA 0.771 5.250 4.320 0.265 0.000 0.311 159 A C 0.100 177.777 177.584 0.156 0.000 1.068 159 A CA -0.274 51.837 52.037 0.123 0.000 0.743 159 A CB 1.934 20.974 19.000 0.066 0.000 1.258 159 A HN 0.222 nan 8.150 nan 0.000 0.429 160 G N 0.153 108.870 108.800 -0.137 0.000 2.798 160 G HA2 0.641 4.760 3.960 0.265 0.000 0.286 160 G HA3 0.641 4.760 3.960 0.265 0.000 0.286 160 G C -1.457 173.392 174.900 -0.085 0.000 1.389 160 G CA -0.511 44.587 45.100 -0.004 0.000 0.894 160 G HN 0.511 nan 8.290 nan 0.000 0.488 161 I N 0.731 121.259 120.570 -0.070 0.000 2.478 161 I HA 0.419 4.748 4.170 0.265 0.000 0.287 161 I C -0.728 175.156 176.117 -0.387 0.000 1.042 161 I CA -0.624 60.523 61.300 -0.255 0.000 1.067 161 I CB 1.544 39.348 38.000 -0.328 0.000 1.233 161 I HN 0.316 nan 8.210 nan 0.000 0.431 162 I N 6.013 126.327 120.570 -0.426 0.000 2.389 162 I HA 0.356 4.685 4.170 0.265 0.000 0.288 162 I C -0.525 175.258 176.117 -0.557 0.000 0.999 162 I CA -0.609 60.444 61.300 -0.411 0.000 1.129 162 I CB 1.339 39.193 38.000 -0.245 0.000 1.288 162 I HN 0.243 nan 8.210 nan 0.000 0.444 163 F N 6.193 126.048 119.950 -0.158 0.000 2.429 163 F HA 0.464 5.152 4.527 0.269 0.000 0.348 163 F C 0.685 176.279 175.800 -0.344 0.000 1.109 163 F CA -0.273 57.639 58.000 -0.147 0.000 1.232 163 F CB 1.024 40.030 39.000 0.010 0.000 1.157 163 F HN 0.225 nan 8.300 nan 0.000 0.564 164 V N -0.668 119.123 119.914 -0.206 0.000 3.076 164 V HA 1.057 5.336 4.120 0.265 0.000 0.311 164 V C 0.068 176.047 176.094 -0.192 0.000 1.346 164 V CA -0.291 61.535 62.300 -0.789 0.000 1.056 164 V CB 1.057 32.271 31.823 -1.016 0.000 1.093 164 V HN 1.299 nan 8.190 nan 0.000 0.468 165 G N 0.468 109.121 108.800 -0.245 0.000 2.501 165 G HA2 0.362 4.481 3.960 0.265 0.000 0.213 165 G HA3 0.362 4.481 3.960 0.265 0.000 0.213 165 G C -0.127 175.085 174.900 0.519 0.000 1.158 165 G CA 0.450 45.658 45.100 0.180 0.000 1.079 165 G HN 2.590 nan 8.290 nan 0.000 0.586 166 S N -2.224 113.674 115.700 0.331 0.000 2.651 166 S HA 0.684 5.313 4.470 0.265 0.000 0.279 166 S C 1.131 175.757 174.600 0.043 0.000 1.148 166 S CA 0.966 59.388 58.200 0.369 0.000 0.837 166 S CB 1.262 64.629 63.200 0.278 0.000 1.138 166 S HN 2.247 nan 8.310 nan 0.000 0.478 167 T N -0.944 113.698 114.554 0.145 0.000 2.996 167 T HA -0.088 4.421 4.350 0.265 0.000 0.271 167 T C 0.886 175.614 174.700 0.045 0.000 1.126 167 T CA 1.584 63.743 62.100 0.098 0.000 1.103 167 T CB -1.047 67.945 68.868 0.206 0.000 0.870 167 T HN 0.706 nan 8.240 nan 0.000 0.528 168 N N 0.490 119.205 118.700 0.024 0.000 2.373 168 N HA 0.163 5.062 4.740 0.265 0.000 0.181 168 N C 0.512 175.984 175.510 -0.064 0.000 1.082 168 N CA -0.155 52.896 53.050 0.001 0.000 0.885 168 N CB 0.351 38.858 38.487 0.033 0.000 0.977 168 N HN 0.263 nan 8.380 nan 0.000 0.462 169 R N 1.253 121.687 120.500 -0.111 0.000 2.879 169 R HA 0.240 4.739 4.340 0.265 0.000 0.291 169 R C -1.893 174.293 176.300 -0.191 0.000 1.246 169 R CA -0.263 55.755 56.100 -0.137 0.000 1.083 169 R CB 0.604 30.870 30.300 -0.057 0.000 1.274 169 R HN -0.020 nan 8.270 nan 0.000 0.393 170 I N 3.568 123.956 120.570 -0.302 0.000 2.365 170 I HA 0.460 4.789 4.170 0.265 0.000 0.291 170 I C 0.949 177.002 176.117 -0.107 0.000 1.004 170 I CA -0.266 60.848 61.300 -0.309 0.000 1.311 170 I CB 1.700 39.404 38.000 -0.494 0.000 1.401 170 I HN 0.719 nan 8.210 nan 0.000 0.491 171 G N 6.276 115.066 108.800 -0.016 0.000 3.108 171 G HA2 0.884 5.002 3.960 0.265 0.000 0.268 171 G HA3 0.884 5.002 3.960 0.265 0.000 0.268 171 G C -0.934 173.983 174.900 0.028 0.000 1.361 171 G CA -0.760 44.335 45.100 -0.008 0.000 1.047 171 G HN 0.615 nan 8.290 nan 0.000 0.540 172 M N -0.904 118.651 119.600 -0.076 0.000 2.520 172 M HA 0.750 5.389 4.480 0.265 0.000 0.280 172 M C -1.643 174.529 176.300 -0.214 0.000 1.232 172 M CA -0.991 54.188 55.300 -0.201 0.000 0.892 172 M CB 2.446 34.903 32.600 -0.238 0.000 1.728 172 M HN 0.704 nan 8.290 nan 0.000 0.475 173 I N -0.419 119.993 120.570 -0.262 0.000 2.686 173 I HA 0.913 5.242 4.170 0.265 0.000 0.295 173 I C -0.230 175.813 176.117 -0.124 0.000 1.114 173 I CA -0.812 60.382 61.300 -0.176 0.000 1.038 173 I CB 2.261 40.136 38.000 -0.209 0.000 1.238 173 I HN 0.866 nan 8.210 nan 0.000 0.420 174 G N 4.456 113.217 108.800 -0.066 0.000 2.467 174 G HA2 0.328 4.447 3.960 0.265 0.000 0.257 174 G HA3 0.328 4.447 3.960 0.265 0.000 0.257 174 G C -1.643 173.278 174.900 0.035 0.000 1.227 174 G CA -0.416 44.651 45.100 -0.054 0.000 0.835 174 G HN 0.788 nan 8.290 nan 0.000 0.556 175 W N 2.594 123.731 121.300 -0.271 0.000 3.042 175 W HA 0.320 5.135 4.660 0.259 0.000 0.337 175 W C -1.298 174.926 176.519 -0.492 0.000 1.086 175 W CA -1.014 56.133 57.345 -0.330 0.000 1.236 175 W CB 1.954 31.185 29.460 -0.381 0.000 1.381 175 W HN 0.507 nan 8.180 nan 0.000 0.472 176 N N 4.382 122.618 118.700 -0.773 0.000 2.469 176 N HA 0.190 5.089 4.740 0.265 0.000 0.239 176 N C 0.482 175.776 175.510 -0.361 0.000 1.053 176 N CA -0.001 52.760 53.050 -0.482 0.000 0.937 176 N CB 0.107 38.382 38.487 -0.353 0.000 1.163 176 N HN 0.305 nan 8.380 nan 0.000 0.509 177 F N 2.169 122.171 119.950 0.088 0.000 2.163 177 F HA 0.107 4.776 4.527 0.236 0.000 0.297 177 F C 2.101 177.930 175.800 0.048 0.000 1.094 177 F CA 0.440 58.531 58.000 0.151 0.000 1.290 177 F CB -0.221 38.861 39.000 0.136 0.000 1.017 177 F HN 0.639 nan 8.300 nan 0.000 0.483 178 G N 1.350 110.265 108.800 0.191 0.000 2.379 178 G HA2 -0.360 3.759 3.960 0.265 0.000 0.297 178 G HA3 -0.360 3.759 3.960 0.265 0.000 0.297 178 G C 1.150 176.105 174.900 0.092 0.000 1.004 178 G CA 0.719 45.893 45.100 0.123 0.000 0.921 178 G HN 0.552 nan 8.290 nan 0.000 0.511 179 Q N -1.178 118.611 119.800 -0.020 0.000 2.291 179 Q HA -0.067 4.432 4.340 0.265 0.000 0.206 179 Q C 1.628 177.596 176.000 -0.053 0.000 0.976 179 Q CA 1.486 57.222 55.803 -0.113 0.000 0.875 179 Q CB -0.254 28.286 28.738 -0.330 0.000 0.927 179 Q HN 0.611 nan 8.270 nan 0.000 0.450 180 F N 1.497 121.559 119.950 0.186 0.000 2.727 180 F HA 0.260 4.924 4.527 0.228 0.000 0.302 180 F C 0.704 176.627 175.800 0.204 0.000 1.097 180 F CA -0.377 57.727 58.000 0.173 0.000 1.330 180 F CB 0.186 39.157 39.000 -0.048 0.000 1.084 180 F HN -0.108 nan 8.300 nan 0.000 0.578 181 E N 1.081 121.455 120.200 0.291 0.000 2.392 181 E HA 0.034 4.543 4.350 0.265 0.000 0.256 181 E C 0.156 176.869 176.600 0.188 0.000 1.145 181 E CA -0.229 56.294 56.400 0.204 0.000 0.929 181 E CB 0.326 30.109 29.700 0.137 0.000 0.998 181 E HN 0.324 nan 8.360 nan 0.000 0.442 182 E N 0.973 121.256 120.200 0.139 0.000 2.465 182 E HA -0.101 4.408 4.350 0.265 0.000 0.260 182 E C -0.122 176.531 176.600 0.089 0.000 0.980 182 E CA 0.430 56.896 56.400 0.111 0.000 0.927 182 E CB 0.209 29.958 29.700 0.082 0.000 0.934 182 E HN 0.414 nan 8.360 nan 0.000 0.459 183 D N 1.434 121.878 120.400 0.074 0.000 2.837 183 D HA -0.220 4.579 4.640 0.265 0.000 0.195 183 D C 0.782 177.118 176.300 0.059 0.000 1.033 183 D CA 0.854 54.884 54.000 0.051 0.000 1.021 183 D CB -0.546 40.281 40.800 0.045 0.000 1.101 183 D HN 0.401 nan 8.370 nan 0.000 0.431 184 I N 0.167 120.788 120.570 0.085 0.000 2.252 184 I HA -0.147 4.182 4.170 0.265 0.000 0.245 184 I C 2.547 178.699 176.117 0.057 0.000 1.102 184 I CA 0.839 62.192 61.300 0.088 0.000 1.385 184 I CB -0.996 37.075 38.000 0.118 0.000 1.064 184 I HN 0.230 nan 8.210 nan 0.000 0.414 185 L N 0.448 121.683 121.223 0.020 0.000 2.093 185 L HA -0.143 4.356 4.340 0.265 0.000 0.208 185 L C 2.734 179.554 176.870 -0.083 0.000 1.085 185 L CA 1.875 56.652 54.840 -0.105 0.000 0.755 185 L CB -0.863 40.932 42.059 -0.441 0.000 0.904 185 L HN 0.163 nan 8.230 nan 0.000 0.435 186 S N -0.574 115.092 115.700 -0.057 0.000 2.356 186 S HA -0.167 4.462 4.470 0.265 0.000 0.223 186 S C 2.078 176.677 174.600 -0.001 0.000 1.032 186 S CA 1.663 59.839 58.200 -0.041 0.000 1.005 186 S CB -0.409 62.773 63.200 -0.030 0.000 0.867 186 S HN 0.494 nan 8.310 nan 0.000 0.449 187 I N 1.031 121.625 120.570 0.040 0.000 2.163 187 I HA -0.236 4.093 4.170 0.265 0.000 0.243 187 I C 2.607 178.786 176.117 0.103 0.000 1.085 187 I CA 1.077 62.442 61.300 0.108 0.000 1.347 187 I CB -0.641 37.452 38.000 0.154 0.000 1.044 187 I HN 0.439 nan 8.210 nan 0.000 0.408 188 C N 0.739 120.069 119.300 0.049 0.000 2.413 188 C HA -0.171 4.448 4.460 0.265 0.000 0.277 188 C C 2.746 177.745 174.990 0.014 0.000 1.228 188 C CA 0.606 59.638 59.018 0.022 0.000 1.731 188 C CB -1.077 26.675 27.740 0.021 0.000 2.042 188 C HN 0.452 nan 8.230 nan 0.000 0.468 189 L N 1.729 122.949 121.223 -0.005 0.000 2.089 189 L HA -0.205 4.294 4.340 0.265 0.000 0.213 189 L C 2.668 179.517 176.870 -0.035 0.000 1.079 189 L CA 2.137 56.961 54.840 -0.027 0.000 0.758 189 L CB -0.633 41.392 42.059 -0.056 0.000 0.891 189 L HN 0.557 nan 8.230 nan 0.000 0.433 190 S N -0.856 114.840 115.700 -0.007 0.000 2.522 190 S HA -0.020 4.609 4.470 0.265 0.000 0.227 190 S C 1.793 176.413 174.600 0.034 0.000 0.986 190 S CA 0.281 58.474 58.200 -0.013 0.000 0.929 190 S CB -0.422 62.787 63.200 0.015 0.000 0.769 190 S HN 0.381 nan 8.310 nan 0.000 0.529 191 I N 1.546 122.159 120.570 0.072 0.000 2.202 191 I HA -0.144 4.185 4.170 0.265 0.000 0.242 191 I C 2.235 178.351 176.117 -0.002 0.000 1.091 191 I CA 1.203 62.546 61.300 0.073 0.000 1.368 191 I CB -0.497 37.479 38.000 -0.039 0.000 1.058 191 I HN 0.291 nan 8.210 nan 0.000 0.410 192 L N 0.291 121.493 121.223 -0.034 0.000 2.263 192 L HA -0.239 4.260 4.340 0.265 0.000 0.216 192 L C 1.398 178.168 176.870 -0.166 0.000 1.111 192 L CA 1.115 55.931 54.840 -0.039 0.000 0.773 192 L CB -0.629 41.431 42.059 0.001 0.000 0.906 192 L HN 0.327 nan 8.230 nan 0.000 0.439 193 D N -0.528 119.668 120.400 -0.340 0.000 2.339 193 D HA 0.017 4.816 4.640 0.265 0.000 0.217 193 D C 1.724 177.673 176.300 -0.586 0.000 1.050 193 D CA 0.262 53.724 54.000 -0.896 0.000 0.856 193 D CB 0.410 40.763 40.800 -0.744 0.000 0.922 193 D HN 0.271 nan 8.370 nan 0.000 0.518 194 R N 0.330 120.735 120.500 -0.157 0.000 2.419 194 R HA 0.091 4.590 4.340 0.265 0.000 0.235 194 R C 1.084 177.454 176.300 0.117 0.000 0.899 194 R CA 0.005 56.127 56.100 0.036 0.000 1.048 194 R CB 0.118 30.516 30.300 0.163 0.000 1.182 194 R HN 0.059 nan 8.270 nan 0.000 0.544 195 S N 0.496 116.256 115.700 0.099 0.000 2.572 195 S HA 0.064 4.693 4.470 0.265 0.000 0.267 195 S C 1.622 176.317 174.600 0.158 0.000 1.361 195 S CA -0.280 57.986 58.200 0.110 0.000 1.009 195 S CB 0.732 63.974 63.200 0.070 0.000 0.888 195 S HN 0.143 nan 8.310 nan 0.000 0.553 196 L N 1.354 122.646 121.223 0.115 0.000 2.141 196 L HA -0.131 4.368 4.340 0.265 0.000 0.209 196 L C 2.286 179.232 176.870 0.127 0.000 1.094 196 L CA 1.438 56.345 54.840 0.112 0.000 0.763 196 L CB -1.023 41.080 42.059 0.073 0.000 0.908 196 L HN 0.682 nan 8.230 nan 0.000 0.437 197 N N 0.294 119.073 118.700 0.131 0.000 2.069 197 N HA -0.257 4.641 4.740 0.265 0.000 0.191 197 N C 1.641 177.278 175.510 0.212 0.000 1.031 197 N CA 1.484 54.633 53.050 0.166 0.000 0.852 197 N CB -0.517 38.081 38.487 0.185 0.000 1.018 197 N HN 0.208 nan 8.380 nan 0.000 0.423 198 F N 1.710 121.723 119.950 0.105 0.000 2.134 198 F HA -0.020 4.670 4.527 0.271 0.000 0.299 198 F C 2.021 177.873 175.800 0.086 0.000 1.097 198 F CA 1.220 59.282 58.000 0.103 0.000 1.264 198 F CB 0.073 39.127 39.000 0.090 0.000 1.001 198 F HN -0.082 nan 8.300 nan 0.000 0.479 199 R N -0.294 120.344 120.500 0.229 0.000 2.148 199 R HA -0.101 4.398 4.340 0.265 0.000 0.227 199 R C 2.233 178.545 176.300 0.020 0.000 1.103 199 R CA 1.122 57.291 56.100 0.116 0.000 0.983 199 R CB -0.368 30.029 30.300 0.161 0.000 0.874 199 R HN 0.258 nan 8.270 nan 0.000 0.451 200 R N 0.499 121.018 120.500 0.031 0.000 2.161 200 R HA -0.045 4.454 4.340 0.265 0.000 0.213 200 R C -0.181 176.101 176.300 -0.031 0.000 1.055 200 R CA 1.000 57.106 56.100 0.011 0.000 0.996 200 R CB 0.504 30.826 30.300 0.036 0.000 0.901 200 R HN -0.030 nan 8.270 nan 0.000 0.456 201 D N -1.438 118.921 120.400 -0.067 0.000 2.684 201 D HA 0.064 4.863 4.640 0.265 0.000 0.233 201 D C 0.043 176.239 176.300 -0.173 0.000 1.374 201 D CA 0.329 54.265 54.000 -0.106 0.000 0.906 201 D CB 0.414 41.180 40.800 -0.057 0.000 1.526 201 D HN 0.099 nan 8.370 nan 0.000 0.518 202 A N 2.061 124.654 122.820 -0.378 0.000 1.948 202 A HA -0.043 4.436 4.320 0.265 0.000 0.220 202 A C 2.245 179.746 177.584 -0.139 0.000 1.177 202 A CA 2.340 53.966 52.037 -0.685 0.000 0.636 202 A CB -0.350 18.005 19.000 -1.075 0.000 0.815 202 A HN 0.605 nan 8.150 nan 0.000 0.449 203 A N -1.320 121.508 122.820 0.013 0.000 1.865 203 A HA -0.116 4.363 4.320 0.265 0.000 0.217 203 A C 2.332 179.924 177.584 0.014 0.000 1.191 203 A CA 2.378 54.463 52.037 0.079 0.000 0.623 203 A CB -1.309 17.640 19.000 -0.085 0.000 0.826 203 A HN 0.425 nan 8.150 nan 0.000 0.444 204 T N -0.594 113.940 114.554 -0.034 0.000 2.904 204 T HA -0.091 4.418 4.350 0.265 0.000 0.267 204 T C 1.640 176.308 174.700 -0.054 0.000 1.059 204 T CA 1.544 63.617 62.100 -0.045 0.000 1.137 204 T CB -0.347 68.491 68.868 -0.050 0.000 0.879 204 T HN 0.689 nan 8.240 nan 0.000 0.467 205 D N 0.984 121.397 120.400 0.021 0.000 2.078 205 D HA -0.092 4.707 4.640 0.265 0.000 0.193 205 D C 2.054 178.429 176.300 0.125 0.000 0.990 205 D CA 0.939 55.019 54.000 0.133 0.000 0.827 205 D CB -0.378 40.609 40.800 0.311 0.000 0.975 205 D HN 0.119 nan 8.370 nan 0.000 0.451 206 V N 0.633 120.647 119.914 0.168 0.000 2.568 206 V HA -0.217 4.062 4.120 0.265 0.000 0.253 206 V C 2.431 178.557 176.094 0.055 0.000 1.072 206 V CA 1.738 64.121 62.300 0.137 0.000 1.084 206 V CB -0.856 31.045 31.823 0.131 0.000 0.676 206 V HN 0.396 nan 8.190 nan 0.000 0.469 207 A N -0.852 121.976 122.820 0.014 0.000 2.014 207 A HA -0.097 4.382 4.320 0.265 0.000 0.218 207 A C 2.294 179.839 177.584 -0.065 0.000 1.163 207 A CA 1.614 53.648 52.037 -0.005 0.000 0.652 207 A CB -0.302 18.691 19.000 -0.011 0.000 0.808 207 A HN 0.513 nan 8.150 nan 0.000 0.449 208 S N -0.453 115.122 115.700 -0.209 0.000 2.593 208 S HA 0.053 4.681 4.470 0.265 0.000 0.217 208 S C 1.338 175.853 174.600 -0.142 0.000 0.966 208 S CA -0.065 57.881 58.200 -0.423 0.000 0.914 208 S CB -0.096 62.299 63.200 -1.342 0.000 0.776 208 S HN 0.583 nan 8.310 nan 0.000 0.523 209 R N 1.980 122.508 120.500 0.047 0.000 2.328 209 R HA 0.060 4.559 4.340 0.265 0.000 0.206 209 R C 0.988 177.375 176.300 0.146 0.000 0.990 209 R CA 0.603 56.812 56.100 0.181 0.000 1.085 209 R CB -0.499 29.880 30.300 0.133 0.000 0.998 209 R HN 0.624 nan 8.270 nan 0.000 0.484 210 N N -0.855 117.927 118.700 0.137 0.000 2.236 210 N HA -0.043 4.856 4.740 0.265 0.000 0.196 210 N C -0.458 175.218 175.510 0.276 0.000 1.114 210 N CA -0.251 52.895 53.050 0.160 0.000 0.859 210 N CB 0.522 39.084 38.487 0.124 0.000 0.982 210 N HN -0.089 nan 8.380 nan 0.000 0.493 211 D N 0.558 121.121 120.400 0.271 0.000 2.481 211 D HA 0.240 5.039 4.640 0.265 0.000 0.246 211 D C -1.730 174.633 176.300 0.104 0.000 1.109 211 D CA -2.651 51.459 54.000 0.184 0.000 0.845 211 D CB 1.965 42.834 40.800 0.116 0.000 1.160 211 D HN -0.123 nan 8.370 nan 0.000 0.534 212 P HA -0.180 nan 4.420 nan 0.000 0.218 212 P C 0.846 177.665 177.300 -0.802 0.000 1.148 212 P CA 1.037 63.659 63.100 -0.798 0.000 0.822 212 P CB 0.518 31.396 31.700 -1.370 0.000 0.784 213 K N -0.984 119.083 120.400 -0.555 0.000 2.026 213 K HA -0.190 4.289 4.320 0.265 0.000 0.208 213 K C 2.445 178.998 176.600 -0.078 0.000 1.048 213 K CA 1.464 57.639 56.287 -0.186 0.000 0.929 213 K CB -0.767 31.788 32.500 0.092 0.000 0.713 213 K HN 0.119 nan 8.250 nan 0.000 0.439 214 Y N 1.658 121.891 120.300 -0.112 0.000 2.133 214 Y HA -0.234 4.474 4.550 0.264 0.000 0.287 214 Y C 2.057 177.925 175.900 -0.052 0.000 1.134 214 Y CA 1.140 59.201 58.100 -0.064 0.000 1.133 214 Y CB -0.260 38.201 38.460 0.002 0.000 0.987 214 Y HN -0.246 nan 8.280 nan 0.000 0.502 215 V N -0.008 119.943 119.914 0.061 0.000 2.343 215 V HA -0.274 4.005 4.120 0.265 0.000 0.247 215 V C 2.581 178.625 176.094 -0.084 0.000 1.051 215 V CA 1.943 64.255 62.300 0.021 0.000 1.036 215 V CB -1.640 30.308 31.823 0.209 0.000 0.654 215 V HN 0.614 nan 8.190 nan 0.000 0.451 216 G N -0.380 108.350 108.800 -0.116 0.000 2.402 216 G HA2 -0.280 3.839 3.960 0.265 0.000 0.216 216 G HA3 -0.280 3.839 3.960 0.265 0.000 0.216 216 G C 1.722 176.574 174.900 -0.080 0.000 1.162 216 G CA 0.839 45.908 45.100 -0.051 0.000 0.777 216 G HN 0.450 nan 8.290 nan 0.000 0.539 217 R N -0.230 120.169 120.500 -0.168 0.000 2.115 217 R HA 0.027 4.526 4.340 0.265 0.000 0.230 217 R C 2.470 178.622 176.300 -0.247 0.000 1.111 217 R CA 1.004 56.960 56.100 -0.240 0.000 0.976 217 R CB -0.225 29.834 30.300 -0.402 0.000 0.870 217 R HN 0.247 nan 8.270 nan 0.000 0.445 218 V N 0.834 120.563 119.914 -0.308 0.000 2.453 218 V HA -0.188 4.091 4.120 0.265 0.000 0.247 218 V C 2.186 178.196 176.094 -0.140 0.000 1.048 218 V CA 1.429 63.564 62.300 -0.276 0.000 1.049 218 V CB -0.244 31.357 31.823 -0.370 0.000 0.672 218 V HN 0.337 nan 8.190 nan 0.000 0.457 219 L N 0.703 121.864 121.223 -0.102 0.000 2.093 219 L HA -0.124 4.375 4.340 0.265 0.000 0.208 219 L C 2.715 179.562 176.870 -0.038 0.000 1.085 219 L CA 1.697 56.502 54.840 -0.058 0.000 0.755 219 L CB -0.731 41.312 42.059 -0.026 0.000 0.904 219 L HN 0.551 nan 8.230 nan 0.000 0.435 220 S N -0.046 115.634 115.700 -0.034 0.000 2.440 220 S HA -0.156 4.473 4.470 0.265 0.000 0.238 220 S C 1.880 176.476 174.600 -0.007 0.000 1.010 220 S CA 0.989 59.185 58.200 -0.008 0.000 0.972 220 S CB -0.204 62.983 63.200 -0.020 0.000 0.774 220 S HN 0.385 nan 8.310 nan 0.000 0.501 221 A N 0.956 123.759 122.820 -0.028 0.000 1.973 221 A HA 0.455 4.934 4.320 0.265 0.000 0.210 221 A C 2.145 179.735 177.584 0.011 0.000 1.200 221 A CA 0.523 52.560 52.037 -0.000 0.000 0.707 221 A CB -0.303 18.682 19.000 -0.025 0.000 0.862 221 A HN 0.460 nan 8.150 nan 0.000 0.461 222 M N 0.128 119.712 119.600 -0.025 0.000 2.492 222 M HA 0.114 4.753 4.480 0.265 0.000 0.262 222 M C 1.320 177.550 176.300 -0.118 0.000 1.090 222 M CA 0.729 55.998 55.300 -0.051 0.000 1.110 222 M CB -0.608 31.950 32.600 -0.070 0.000 1.407 222 M HN 0.256 nan 8.290 nan 0.000 0.470 223 I N 0.794 121.321 120.570 -0.071 0.000 2.928 223 I HA -0.122 4.207 4.170 0.265 0.000 0.266 223 I C 0.482 176.622 176.117 0.038 0.000 1.234 223 I CA 0.431 61.679 61.300 -0.086 0.000 1.483 223 I CB -1.514 36.483 38.000 -0.005 0.000 1.097 223 I HN 0.321 nan 8.210 nan 0.000 0.455 224 N N -0.667 118.115 118.700 0.137 0.000 2.405 224 N HA 0.071 4.969 4.740 0.265 0.000 0.299 224 N C 0.850 176.443 175.510 0.138 0.000 1.075 224 N CA -0.064 53.151 53.050 0.275 0.000 0.884 224 N CB 1.051 39.658 38.487 0.199 0.000 1.194 224 N HN -0.053 nan 8.380 nan 0.000 0.491 225 S N 1.326 117.117 115.700 0.151 0.000 2.469 225 S HA -0.122 4.507 4.470 0.265 0.000 0.238 225 S C 0.102 174.784 174.600 0.138 0.000 0.998 225 S CA 0.044 58.327 58.200 0.138 0.000 0.957 225 S CB -0.936 62.352 63.200 0.147 0.000 0.764 225 S HN 0.664 nan 8.310 nan 0.000 0.514 226 N N 2.900 121.674 118.700 0.124 0.000 2.407 226 N HA 0.145 5.043 4.740 0.265 0.000 0.250 226 N C 0.335 175.955 175.510 0.185 0.000 1.236 226 N CA 0.897 54.033 53.050 0.144 0.000 0.879 226 N CB -0.015 38.524 38.487 0.087 0.000 1.088 226 N HN 0.177 nan 8.380 nan 0.000 0.450 227 D N -0.565 119.945 120.400 0.185 0.000 2.463 227 D HA -0.242 4.557 4.640 0.265 0.000 0.165 227 D C -0.183 176.186 176.300 0.116 0.000 1.471 227 D CA 2.148 56.236 54.000 0.146 0.000 1.333 227 D CB -0.845 40.041 40.800 0.144 0.000 1.227 227 D HN 0.843 nan 8.370 nan 0.000 0.427 228 D N -0.829 119.645 120.400 0.124 0.000 2.636 228 D HA 0.218 5.017 4.640 0.265 0.000 0.270 228 D C -0.271 176.120 176.300 0.152 0.000 1.430 228 D CA -0.150 53.923 54.000 0.122 0.000 0.796 228 D CB -1.058 39.806 40.800 0.108 0.000 1.117 228 D HN 0.356 nan 8.370 nan 0.000 0.480 229 N N -0.009 118.787 118.700 0.160 0.000 2.735 229 N HA -0.131 4.768 4.740 0.265 0.000 0.248 229 N C 0.724 176.423 175.510 0.315 0.000 1.083 229 N CA 0.224 53.398 53.050 0.207 0.000 0.703 229 N CB -0.854 37.737 38.487 0.174 0.000 1.005 229 N HN 0.510 nan 8.380 nan 0.000 0.550 230 G N -0.443 108.481 108.800 0.207 0.000 2.590 230 G HA2 0.253 4.372 3.960 0.265 0.000 0.276 230 G HA3 0.253 4.372 3.960 0.265 0.000 0.276 230 G C 1.213 176.126 174.900 0.022 0.000 1.337 230 G CA -0.036 45.120 45.100 0.093 0.000 1.030 230 G HN 0.067 nan 8.290 nan 0.000 0.534 231 V N -0.343 119.312 119.914 -0.431 0.000 2.302 231 V HA 0.076 4.354 4.120 0.265 0.000 0.243 231 V C 1.229 177.176 176.094 -0.245 0.000 1.036 231 V CA 1.131 63.007 62.300 -0.708 0.000 1.020 231 V CB -0.696 30.559 31.823 -0.946 0.000 0.657 231 V HN 0.285 nan 8.190 nan 0.000 0.453 232 L N 0.474 121.581 121.223 -0.193 0.000 2.307 232 L HA 0.684 5.183 4.340 0.265 0.000 0.284 232 L C -0.066 176.831 176.870 0.044 0.000 1.023 232 L CA -0.435 54.279 54.840 -0.212 0.000 0.810 232 L CB 1.434 43.063 42.059 -0.717 0.000 1.231 232 L HN 0.169 nan 8.230 nan 0.000 0.423 233 A N 2.525 125.377 122.820 0.053 0.000 2.276 233 A HA 0.654 5.133 4.320 0.265 0.000 0.300 233 A C 0.375 178.120 177.584 0.269 0.000 1.235 233 A CA -0.257 51.903 52.037 0.205 0.000 0.867 233 A CB 0.565 19.696 19.000 0.218 0.000 1.137 233 A HN 0.767 nan 8.150 nan 0.000 0.527 234 G N 0.901 109.902 108.800 0.336 0.000 2.507 234 G HA2 0.468 4.587 3.960 0.265 0.000 0.271 234 G HA3 0.468 4.587 3.960 0.265 0.000 0.271 234 G C -0.267 174.642 174.900 0.015 0.000 1.189 234 G CA -0.551 44.655 45.100 0.177 0.000 0.859 234 G HN 0.920 nan 8.290 nan 0.000 0.542 235 N N -0.141 118.345 118.700 -0.357 0.000 2.648 235 N HA 0.096 4.995 4.740 0.265 0.000 0.272 235 N C -0.924 174.471 175.510 -0.193 0.000 1.118 235 N CA -0.701 52.236 53.050 -0.187 0.000 0.973 235 N CB 1.130 39.377 38.487 -0.401 0.000 1.565 235 N HN 0.601 nan 8.380 nan 0.000 0.542 236 W N 2.875 124.211 121.300 0.060 0.000 2.357 236 W HA 0.139 4.958 4.660 0.266 0.000 0.386 236 W C 1.343 177.855 176.519 -0.011 0.000 0.889 236 W CA -0.266 57.100 57.345 0.036 0.000 2.425 236 W CB 0.682 30.046 29.460 -0.161 0.000 1.244 236 W HN 0.590 nan 8.180 nan 0.000 0.646 237 S N -0.935 114.821 115.700 0.092 0.000 2.496 237 S HA 0.194 4.823 4.470 0.265 0.000 0.224 237 S C 1.792 176.313 174.600 -0.131 0.000 0.996 237 S CA 1.034 59.204 58.200 -0.051 0.000 0.927 237 S CB 0.264 63.378 63.200 -0.143 0.000 0.774 237 S HN 0.375 nan 8.310 nan 0.000 0.524 238 G N -0.040 108.616 108.800 -0.239 0.000 2.195 238 G HA2 -0.193 3.926 3.960 0.265 0.000 0.246 238 G HA3 -0.193 3.926 3.960 0.265 0.000 0.246 238 G C 0.160 174.703 174.900 -0.595 0.000 0.984 238 G CA 0.270 45.249 45.100 -0.202 0.000 0.633 238 G HN 0.700 nan 8.290 nan 0.000 0.525 239 T N 0.340 114.325 114.554 -0.948 0.000 2.890 239 T HA 0.556 5.065 4.350 0.265 0.000 0.295 239 T C -0.520 173.613 174.700 -0.945 0.000 0.993 239 T CA -0.341 61.331 62.100 -0.714 0.000 0.979 239 T CB 0.897 69.581 68.868 -0.306 0.000 0.967 239 T HN 0.256 nan 8.240 nan 0.000 0.441 240 Y N 1.037 121.325 120.300 -0.019 0.000 2.734 240 Y HA 0.267 4.978 4.550 0.268 0.000 0.278 240 Y C 1.373 177.398 175.900 0.208 0.000 1.108 240 Y CA -0.995 57.127 58.100 0.036 0.000 1.211 240 Y CB -0.285 38.237 38.460 0.104 0.000 1.182 240 Y HN 0.446 nan 8.280 nan 0.000 0.547 241 T N 0.479 115.126 114.554 0.156 0.000 2.908 241 T HA 0.234 4.743 4.350 0.265 0.000 0.325 241 T C 1.394 176.228 174.700 0.224 0.000 1.092 241 T CA 1.377 63.562 62.100 0.141 0.000 1.125 241 T CB 0.364 69.272 68.868 0.066 0.000 1.016 241 T HN 0.837 nan 8.240 nan 0.000 0.550 242 G N 0.322 109.200 108.800 0.129 0.000 2.153 242 G HA2 0.065 4.184 3.960 0.265 0.000 0.252 242 G HA3 0.065 4.184 3.960 0.265 0.000 0.252 242 G C 0.369 175.276 174.900 0.010 0.000 0.994 242 G CA 0.250 45.402 45.100 0.087 0.000 0.698 242 G HN 1.314 nan 8.290 nan 0.000 0.521 243 G N -1.654 107.174 108.800 0.046 0.000 2.490 243 G HA2 0.640 4.759 3.960 0.265 0.000 0.308 243 G HA3 0.640 4.759 3.960 0.265 0.000 0.308 243 G C -1.067 173.834 174.900 0.002 0.000 1.286 243 G CA -0.716 44.316 45.100 -0.114 0.000 0.825 243 G HN 0.455 nan 8.290 nan 0.000 0.479 244 R N 0.643 121.105 120.500 -0.064 0.000 2.393 244 R HA 0.315 4.814 4.340 0.265 0.000 0.310 244 R C -0.830 175.371 176.300 -0.164 0.000 0.968 244 R CA -0.753 55.215 56.100 -0.219 0.000 0.867 244 R CB 1.672 31.561 30.300 -0.685 0.000 1.124 244 R HN 0.580 nan 8.270 nan 0.000 0.450 245 D N 4.068 124.370 120.400 -0.163 0.000 2.586 245 D HA -0.063 4.736 4.640 0.265 0.000 0.234 245 D C -1.524 174.557 176.300 -0.365 0.000 1.132 245 D CA -0.873 52.953 54.000 -0.290 0.000 0.860 245 D CB 1.187 41.925 40.800 -0.103 0.000 1.159 245 D HN 0.228 nan 8.370 nan 0.000 0.490 246 P HA -0.136 nan 4.420 nan 0.000 0.217 246 P C 0.893 178.294 177.300 0.168 0.000 1.148 246 P CA 1.232 64.221 63.100 -0.185 0.000 0.834 246 P CB 0.171 31.586 31.700 -0.475 0.000 0.783 247 R N -0.775 119.851 120.500 0.211 0.000 2.313 247 R HA 0.077 4.576 4.340 0.265 0.000 0.199 247 R C 1.940 178.379 176.300 0.232 0.000 0.958 247 R CA 0.970 57.337 56.100 0.446 0.000 1.047 247 R CB -0.392 30.105 30.300 0.327 0.000 0.955 247 R HN 0.332 nan 8.270 nan 0.000 0.481 248 S N -0.640 115.066 115.700 0.010 0.000 2.478 248 S HA -0.023 4.606 4.470 0.265 0.000 0.222 248 S C 0.427 174.977 174.600 -0.084 0.000 1.008 248 S CA -0.536 57.595 58.200 -0.115 0.000 0.928 248 S CB -0.165 62.857 63.200 -0.296 0.000 0.781 248 S HN 0.222 nan 8.310 nan 0.000 0.518 249 W N 2.207 123.554 121.300 0.078 0.000 2.148 249 W HA 0.348 5.168 4.660 0.268 0.000 0.347 249 W C 0.778 177.219 176.519 -0.130 0.000 1.288 249 W CA -0.433 56.903 57.345 -0.014 0.000 1.252 249 W CB 0.329 29.845 29.460 0.092 0.000 1.156 249 W HN 0.121 nan 8.180 nan 0.000 0.580 250 D N 0.265 120.559 120.400 -0.176 0.000 2.500 250 D HA 0.228 5.027 4.640 0.265 0.000 0.218 250 D C 0.623 176.263 176.300 -1.102 0.000 1.140 250 D CA 0.302 54.040 54.000 -0.436 0.000 0.830 250 D CB 0.982 41.644 40.800 -0.229 0.000 1.055 250 D HN 0.459 nan 8.370 nan 0.000 0.512 251 G N -0.811 107.177 108.800 -1.354 0.000 2.606 251 G HA2 0.312 4.431 3.960 0.265 0.000 0.300 251 G HA3 0.312 4.431 3.960 0.265 0.000 0.300 251 G C -0.069 174.414 174.900 -0.694 0.000 1.360 251 G CA -0.194 44.012 45.100 -1.489 0.000 0.783 251 G HN -0.137 nan 8.290 nan 0.000 0.484 252 S N -0.756 114.846 115.700 -0.164 0.000 2.517 252 S HA 0.076 4.705 4.470 0.265 0.000 0.214 252 S C 2.284 176.884 174.600 0.000 0.000 0.991 252 S CA 0.545 58.805 58.200 0.101 0.000 0.906 252 S CB 0.482 63.865 63.200 0.306 0.000 0.789 252 S HN 0.400 nan 8.310 nan 0.000 0.513 253 V N 2.273 122.169 119.914 -0.029 0.000 2.358 253 V HA -0.094 4.185 4.120 0.265 0.000 0.246 253 V C 2.264 178.364 176.094 0.009 0.000 1.047 253 V CA 1.442 63.745 62.300 0.004 0.000 1.035 253 V CB -0.435 31.390 31.823 0.005 0.000 0.658 253 V HN 0.371 nan 8.190 nan 0.000 0.452 254 E N -0.179 120.023 120.200 0.003 0.000 2.371 254 E HA 0.065 4.574 4.350 0.265 0.000 0.194 254 E C 2.091 178.714 176.600 0.039 0.000 1.012 254 E CA 0.616 57.053 56.400 0.061 0.000 0.860 254 E CB -0.031 29.745 29.700 0.127 0.000 0.811 254 E HN 0.587 nan 8.360 nan 0.000 0.502 255 I N 0.463 120.965 120.570 -0.114 0.000 2.286 255 I HA -0.203 4.126 4.170 0.265 0.000 0.245 255 I C 2.241 178.300 176.117 -0.096 0.000 1.104 255 I CA 0.807 61.928 61.300 -0.298 0.000 1.397 255 I CB -0.145 37.533 38.000 -0.538 0.000 1.072 255 I HN 0.035 nan 8.210 nan 0.000 0.417 256 L N 0.334 121.539 121.223 -0.030 0.000 2.131 256 L HA -0.117 4.382 4.340 0.265 0.000 0.206 256 L C 2.460 179.441 176.870 0.185 0.000 1.087 256 L CA 1.202 56.086 54.840 0.073 0.000 0.767 256 L CB -0.405 41.679 42.059 0.042 0.000 0.917 256 L HN 0.123 nan 8.230 nan 0.000 0.441 257 K N -0.237 120.231 120.400 0.112 0.000 2.103 257 K HA -0.076 4.403 4.320 0.265 0.000 0.204 257 K C 1.816 178.474 176.600 0.096 0.000 1.052 257 K CA 0.959 57.306 56.287 0.100 0.000 0.945 257 K CB -0.102 32.438 32.500 0.067 0.000 0.722 257 K HN 0.178 nan 8.250 nan 0.000 0.443 258 N N 0.377 119.140 118.700 0.106 0.000 2.166 258 N HA -0.172 4.727 4.740 0.265 0.000 0.186 258 N C 1.199 176.780 175.510 0.118 0.000 1.019 258 N CA 0.851 53.960 53.050 0.099 0.000 0.856 258 N CB -0.244 38.318 38.487 0.124 0.000 0.993 258 N HN 0.280 nan 8.380 nan 0.000 0.426 259 W N 2.388 123.665 121.300 -0.037 0.000 2.332 259 W HA -0.142 4.670 4.660 0.254 0.000 0.321 259 W C 2.334 178.837 176.519 -0.028 0.000 1.219 259 W CA 1.741 59.062 57.345 -0.040 0.000 1.277 259 W CB -0.465 28.961 29.460 -0.055 0.000 1.161 259 W HN -0.034 nan 8.180 nan 0.000 0.476 260 K N 0.792 121.164 120.400 -0.046 0.000 2.097 260 K HA -0.260 4.219 4.320 0.265 0.000 0.206 260 K C 2.223 178.705 176.600 -0.197 0.000 1.049 260 K CA 1.911 58.049 56.287 -0.248 0.000 0.933 260 K CB -0.496 31.976 32.500 -0.047 0.000 0.717 260 K HN 0.157 nan 8.250 nan 0.000 0.442 261 K N 0.697 121.044 120.400 -0.088 0.000 2.057 261 K HA -0.082 4.397 4.320 0.265 0.000 0.207 261 K C 1.418 177.965 176.600 -0.090 0.000 1.049 261 K CA 1.701 57.948 56.287 -0.067 0.000 0.931 261 K CB -0.075 32.414 32.500 -0.018 0.000 0.714 261 K HN 0.245 nan 8.250 nan 0.000 0.440 262 S N -0.434 115.204 115.700 -0.104 0.000 2.743 262 S HA 0.184 4.813 4.470 0.265 0.000 0.230 262 S C 0.688 175.196 174.600 -0.154 0.000 0.950 262 S CA 0.055 58.196 58.200 -0.098 0.000 0.976 262 S CB 0.101 63.267 63.200 -0.057 0.000 0.779 262 S HN 0.480 nan 8.310 nan 0.000 0.487 263 G N 1.965 110.639 108.800 -0.210 0.000 2.314 263 G HA2 -0.246 3.873 3.960 0.265 0.000 0.292 263 G HA3 -0.246 3.873 3.960 0.265 0.000 0.292 263 G C 0.271 174.964 174.900 -0.346 0.000 1.059 263 G CA -0.139 44.817 45.100 -0.240 0.000 0.982 263 G HN 1.197 nan 8.290 nan 0.000 0.505 264 L N -2.026 118.812 121.223 -0.642 0.000 3.678 264 L HA -0.192 4.307 4.340 0.265 0.000 0.425 264 L C 0.904 177.553 176.870 -0.368 0.000 1.240 264 L CA 0.842 55.088 54.840 -0.989 0.000 0.876 264 L CB -2.054 39.551 42.059 -0.756 0.000 1.766 264 L HN 0.719 nan 8.230 nan 0.000 0.917 265 S N -0.284 115.288 115.700 -0.214 0.000 2.578 265 S HA 0.659 5.288 4.470 0.265 0.000 0.283 265 S C -2.119 172.566 174.600 0.141 0.000 1.195 265 S CA -1.360 56.836 58.200 -0.007 0.000 1.050 265 S CB 1.523 64.707 63.200 -0.027 0.000 1.012 265 S HN 0.035 nan 8.310 nan 0.000 0.511 266 P HA 0.019 nan 4.420 nan 0.000 0.262 266 P C -1.176 176.181 177.300 0.094 0.000 1.182 266 P CA -0.048 63.145 63.100 0.155 0.000 0.761 266 P CB 0.245 32.011 31.700 0.110 0.000 0.795 267 V N 6.148 126.113 119.914 0.085 0.000 2.408 267 V HA 0.194 4.472 4.120 0.265 0.000 0.267 267 V C 0.884 176.957 176.094 -0.035 0.000 1.047 267 V CA -0.035 62.282 62.300 0.028 0.000 0.937 267 V CB 0.069 31.859 31.823 -0.055 0.000 0.999 267 V HN 0.439 nan 8.190 nan 0.000 0.472 268 R N 4.541 124.974 120.500 -0.112 0.000 2.338 268 R HA 0.665 5.164 4.340 0.265 0.000 0.317 268 R C -1.474 174.751 176.300 -0.125 0.000 0.968 268 R CA -0.473 55.354 56.100 -0.455 0.000 0.849 268 R CB 1.517 31.069 30.300 -1.246 0.000 1.128 268 R HN 0.612 nan 8.270 nan 0.000 0.448 269 Y N -0.393 120.057 120.300 0.249 0.000 2.609 269 Y HA 0.678 5.387 4.550 0.266 0.000 0.342 269 Y C 0.626 176.539 175.900 0.022 0.000 1.058 269 Y CA -0.875 57.273 58.100 0.079 0.000 1.055 269 Y CB 2.571 41.048 38.460 0.029 0.000 1.292 269 Y HN 0.702 nan 8.280 nan 0.000 0.476 270 G N 0.107 108.856 108.800 -0.086 0.000 2.658 270 G HA2 0.719 4.838 3.960 0.265 0.000 0.292 270 G HA3 0.719 4.838 3.960 0.265 0.000 0.292 270 G C -1.757 172.819 174.900 -0.541 0.000 1.320 270 G CA -0.748 44.086 45.100 -0.443 0.000 0.933 270 G HN 0.462 nan 8.290 nan 0.000 0.476 271 Q N -1.453 117.976 119.800 -0.618 0.000 2.605 271 Q HA 0.273 4.772 4.340 0.265 0.000 0.296 271 Q C 1.620 177.740 176.000 0.199 0.000 1.056 271 Q CA -0.527 55.047 55.803 -0.383 0.000 0.778 271 Q CB 2.246 30.555 28.738 -0.715 0.000 1.497 271 Q HN 0.880 nan 8.270 nan 0.000 0.443 272 C N -0.412 119.350 119.300 0.771 0.000 2.369 272 C HA -0.197 4.422 4.460 0.265 0.000 0.273 272 C C 2.086 177.307 174.990 0.385 0.000 1.172 272 C CA 1.741 61.200 59.018 0.736 0.000 1.791 272 C CB -1.651 26.691 27.740 1.002 0.000 2.086 272 C HN 1.021 nan 8.230 nan 0.000 0.459 273 W N 1.932 123.374 121.300 0.237 0.000 2.425 273 W HA 0.180 4.996 4.660 0.260 0.000 0.277 273 W C 1.812 178.098 176.519 -0.388 0.000 1.231 273 W CA 1.213 58.513 57.345 -0.076 0.000 1.248 273 W CB -1.119 28.287 29.460 -0.090 0.000 1.117 273 W HN 0.223 nan 8.180 nan 0.000 0.568 274 V N 1.138 120.557 119.914 -0.824 0.000 2.323 274 V HA -0.258 4.021 4.120 0.265 0.000 0.244 274 V C 2.238 178.020 176.094 -0.519 0.000 1.041 274 V CA 1.825 63.648 62.300 -0.795 0.000 1.025 274 V CB -1.225 30.137 31.823 -0.768 0.000 0.656 274 V HN 0.113 nan 8.190 nan 0.000 0.451 275 F N 1.209 120.988 119.950 -0.284 0.000 2.095 275 F HA -0.173 4.514 4.527 0.268 0.000 0.298 275 F C 2.555 178.286 175.800 -0.115 0.000 1.104 275 F CA 1.738 59.651 58.000 -0.144 0.000 1.232 275 F CB -1.030 37.957 39.000 -0.023 0.000 0.987 275 F HN 0.085 nan 8.300 nan 0.000 0.475 276 A N 0.244 123.121 122.820 0.096 0.000 1.940 276 A HA -0.097 4.382 4.320 0.265 0.000 0.219 276 A C 2.533 180.090 177.584 -0.045 0.000 1.176 276 A CA 1.869 53.927 52.037 0.035 0.000 0.631 276 A CB -1.628 17.385 19.000 0.021 0.000 0.814 276 A HN 0.427 nan 8.150 nan 0.000 0.446 277 G N -1.231 107.402 108.800 -0.278 0.000 2.402 277 G HA2 -0.109 4.010 3.960 0.265 0.000 0.216 277 G HA3 -0.109 4.010 3.960 0.265 0.000 0.216 277 G C 1.570 176.579 174.900 0.181 0.000 1.162 277 G CA 1.620 46.549 45.100 -0.285 0.000 0.777 277 G HN 0.447 nan 8.290 nan 0.000 0.539 278 T N 1.238 115.835 114.554 0.072 0.000 2.737 278 T HA -0.094 4.415 4.350 0.265 0.000 0.265 278 T C 2.228 176.962 174.700 0.057 0.000 1.038 278 T CA 1.089 63.241 62.100 0.086 0.000 1.144 278 T CB -0.256 68.570 68.868 -0.070 0.000 0.866 278 T HN 0.132 nan 8.240 nan 0.000 0.434 279 L N 2.235 123.482 121.223 0.039 0.000 2.079 279 L HA 0.001 4.500 4.340 0.265 0.000 0.210 279 L C 1.944 178.840 176.870 0.043 0.000 1.081 279 L CA 1.643 56.508 54.840 0.042 0.000 0.752 279 L CB -0.878 41.223 42.059 0.071 0.000 0.896 279 L HN 0.187 nan 8.230 nan 0.000 0.433 280 N N -1.496 117.231 118.700 0.044 0.000 2.409 280 N HA -0.128 4.770 4.740 0.265 0.000 0.179 280 N C 1.381 176.834 175.510 -0.094 0.000 1.032 280 N CA 1.415 54.439 53.050 -0.044 0.000 0.898 280 N CB 0.206 38.633 38.487 -0.100 0.000 0.971 280 N HN 0.444 nan 8.380 nan 0.000 0.441 281 T N 0.252 114.839 114.554 0.054 0.000 2.851 281 T HA 0.097 4.606 4.350 0.265 0.000 0.262 281 T C 1.941 176.666 174.700 0.043 0.000 1.043 281 T CA 0.969 63.116 62.100 0.078 0.000 1.140 281 T CB -0.199 68.785 68.868 0.194 0.000 0.872 281 T HN 0.334 nan 8.240 nan 0.000 0.446 282 A N 1.192 124.037 122.820 0.042 0.000 1.933 282 A HA 0.028 4.507 4.320 0.265 0.000 0.218 282 A C 2.247 179.869 177.584 0.065 0.000 1.175 282 A CA 1.163 53.223 52.037 0.039 0.000 0.628 282 A CB -0.737 18.270 19.000 0.011 0.000 0.814 282 A HN 0.450 nan 8.150 nan 0.000 0.444 283 L N -1.395 119.862 121.223 0.056 0.000 2.023 283 L HA -0.101 4.398 4.340 0.265 0.000 0.205 283 L C 2.830 179.761 176.870 0.102 0.000 1.073 283 L CA 1.177 56.068 54.840 0.085 0.000 0.745 283 L CB -0.481 41.627 42.059 0.082 0.000 0.900 283 L HN 0.308 nan 8.230 nan 0.000 0.435 284 R N -0.003 120.520 120.500 0.038 0.000 2.152 284 R HA -0.135 4.364 4.340 0.265 0.000 0.232 284 R C 2.541 178.909 176.300 0.115 0.000 1.117 284 R CA 1.587 57.711 56.100 0.040 0.000 0.981 284 R CB -0.363 29.881 30.300 -0.093 0.000 0.870 284 R HN 0.496 nan 8.270 nan 0.000 0.451 285 S N 0.791 116.565 115.700 0.124 0.000 2.387 285 S HA -0.030 4.599 4.470 0.265 0.000 0.226 285 S C 1.955 176.734 174.600 0.299 0.000 1.026 285 S CA 0.657 59.012 58.200 0.259 0.000 0.972 285 S CB -0.266 63.038 63.200 0.174 0.000 0.814 285 S HN 0.223 nan 8.310 nan 0.000 0.477 286 L N 1.032 122.398 121.223 0.238 0.000 2.478 286 L HA 0.258 4.757 4.340 0.265 0.000 0.223 286 L C 1.874 179.008 176.870 0.440 0.000 1.140 286 L CA 0.564 55.576 54.840 0.287 0.000 0.842 286 L CB -0.670 41.571 42.059 0.303 0.000 0.953 286 L HN 0.683 nan 8.230 nan 0.000 0.452 287 G N 0.555 109.596 108.800 0.400 0.000 2.148 287 G HA2 -0.222 3.897 3.960 0.265 0.000 0.203 287 G HA3 -0.222 3.897 3.960 0.265 0.000 0.203 287 G C 0.100 175.194 174.900 0.323 0.000 0.993 287 G CA -0.538 44.824 45.100 0.437 0.000 0.661 287 G HN 0.225 nan 8.290 nan 0.000 0.518 288 I N 2.117 122.812 120.570 0.207 0.000 2.304 288 I HA 0.272 4.601 4.170 0.265 0.000 0.291 288 I C -2.006 174.204 176.117 0.155 0.000 1.018 288 I CA -2.316 59.035 61.300 0.085 0.000 1.260 288 I CB 1.483 39.480 38.000 -0.006 0.000 1.390 288 I HN -0.150 nan 8.210 nan 0.000 0.475 289 P HA 0.017 nan 4.420 nan 0.000 0.265 289 P C -0.807 176.656 177.300 0.273 0.000 1.193 289 P CA 0.223 63.419 63.100 0.160 0.000 0.765 289 P CB 0.588 32.303 31.700 0.024 0.000 0.823 290 S N 2.263 118.113 115.700 0.249 0.000 2.567 290 S HA 0.809 5.438 4.470 0.265 0.000 0.270 290 S C -1.104 173.523 174.600 0.043 0.000 1.152 290 S CA -1.086 57.229 58.200 0.193 0.000 0.835 290 S CB 2.204 65.475 63.200 0.118 0.000 1.115 290 S HN 0.601 nan 8.310 nan 0.000 0.459 291 R N -0.113 120.312 120.500 -0.124 0.000 2.764 291 R HA 0.834 5.333 4.340 0.265 0.000 0.270 291 R C -1.819 174.408 176.300 -0.120 0.000 1.014 291 R CA -1.125 54.901 56.100 -0.123 0.000 0.904 291 R CB 1.133 31.267 30.300 -0.277 0.000 1.236 291 R HN 0.443 nan 8.270 nan 0.000 0.466 292 V N 2.286 122.174 119.914 -0.043 0.000 2.481 292 V HA 0.424 4.703 4.120 0.265 0.000 0.286 292 V C 0.000 176.006 176.094 -0.147 0.000 1.042 292 V CA -0.761 61.502 62.300 -0.061 0.000 0.928 292 V CB 1.504 33.337 31.823 0.018 0.000 0.986 292 V HN 0.523 nan 8.190 nan 0.000 0.462 293 I N 3.202 123.588 120.570 -0.308 0.000 2.474 293 I HA 0.462 4.791 4.170 0.265 0.000 0.294 293 I C 0.053 175.764 176.117 -0.676 0.000 1.005 293 I CA -0.150 60.853 61.300 -0.496 0.000 1.113 293 I CB 1.968 39.542 38.000 -0.709 0.000 1.289 293 I HN 0.539 nan 8.210 nan 0.000 0.436 294 T N 4.870 119.137 114.554 -0.479 0.000 2.809 294 T HA 0.276 4.785 4.350 0.265 0.000 0.284 294 T C -0.180 174.207 174.700 -0.521 0.000 0.992 294 T CA -0.583 61.219 62.100 -0.497 0.000 0.957 294 T CB 1.038 69.710 68.868 -0.326 0.000 0.942 294 T HN 0.499 nan 8.240 nan 0.000 0.439 295 N N 2.606 120.936 118.700 -0.616 0.000 2.417 295 N HA 0.451 5.349 4.740 0.265 0.000 0.274 295 N C -1.338 174.062 175.510 -0.182 0.000 0.987 295 N CA -0.661 52.177 53.050 -0.353 0.000 0.912 295 N CB 0.310 38.568 38.487 -0.382 0.000 1.177 295 N HN 0.305 nan 8.380 nan 0.000 0.490 296 F N 2.431 122.444 119.950 0.105 0.000 2.394 296 F HA 0.340 5.026 4.527 0.265 0.000 0.340 296 F C 0.843 176.748 175.800 0.174 0.000 1.105 296 F CA -0.469 57.662 58.000 0.219 0.000 1.124 296 F CB 0.746 39.882 39.000 0.226 0.000 1.145 296 F HN 0.488 nan 8.300 nan 0.000 0.505 297 N N 0.935 119.856 118.700 0.367 0.000 2.753 297 N HA -0.220 4.679 4.740 0.265 0.000 0.252 297 N C -0.641 174.972 175.510 0.170 0.000 1.071 297 N CA 0.349 53.550 53.050 0.251 0.000 0.690 297 N CB -1.035 37.569 38.487 0.196 0.000 0.906 297 N HN 0.467 nan 8.380 nan 0.000 0.552 298 S N -0.447 115.361 115.700 0.179 0.000 2.489 298 S HA 0.737 5.366 4.470 0.265 0.000 0.277 298 S C 0.351 174.935 174.600 -0.026 0.000 1.230 298 S CA -0.009 58.233 58.200 0.072 0.000 1.053 298 S CB 0.617 63.881 63.200 0.108 0.000 0.955 298 S HN 0.484 nan 8.310 nan 0.000 0.488 299 A N 3.929 126.704 122.820 -0.076 0.000 2.303 299 A HA 0.445 4.924 4.320 0.265 0.000 0.317 299 A C -0.390 177.125 177.584 -0.115 0.000 1.149 299 A CA -0.551 51.452 52.037 -0.056 0.000 0.822 299 A CB 0.344 19.334 19.000 -0.017 0.000 1.131 299 A HN 1.025 nan 8.150 nan 0.000 0.493 300 H N 1.843 120.833 119.070 -0.133 0.000 2.632 300 H HA 0.239 4.954 4.556 0.266 0.000 0.258 300 H C -1.102 174.248 175.328 0.036 0.000 1.278 300 H CA -0.684 55.324 56.048 -0.066 0.000 1.352 300 H CB 0.268 29.980 29.762 -0.083 0.000 1.418 300 H HN 0.723 nan 8.280 nan 0.000 0.513 301 D N 2.759 123.302 120.400 0.238 0.000 2.348 301 D HA 0.027 4.826 4.640 0.265 0.000 0.253 301 D C 0.671 177.069 176.300 0.162 0.000 1.161 301 D CA 0.167 54.252 54.000 0.142 0.000 0.876 301 D CB 1.692 42.561 40.800 0.115 0.000 1.160 301 D HN 0.533 nan 8.370 nan 0.000 0.459 302 T N 1.581 116.140 114.554 0.008 0.000 3.034 302 T HA -0.027 4.482 4.350 0.265 0.000 0.248 302 T C 0.363 175.062 174.700 -0.003 0.000 1.040 302 T CA 0.149 62.230 62.100 -0.031 0.000 1.107 302 T CB 0.081 68.864 68.868 -0.142 0.000 0.932 302 T HN 0.477 nan 8.240 nan 0.000 0.474 303 D N 1.293 121.695 120.400 0.004 0.000 2.561 303 D HA 0.154 4.953 4.640 0.265 0.000 0.232 303 D C 0.060 176.370 176.300 0.017 0.000 1.198 303 D CA -0.466 53.536 54.000 0.003 0.000 0.826 303 D CB -0.590 40.209 40.800 -0.002 0.000 0.992 303 D HN 0.091 nan 8.370 nan 0.000 0.490 304 R N 0.849 121.370 120.500 0.035 0.000 3.118 304 R HA -0.231 4.268 4.340 0.265 0.000 0.238 304 R C -0.449 175.857 176.300 0.011 0.000 0.884 304 R CA 0.827 56.946 56.100 0.031 0.000 0.601 304 R CB -1.897 28.411 30.300 0.014 0.000 1.009 304 R HN 0.522 nan 8.270 nan 0.000 0.478 305 N N -0.791 117.924 118.700 0.025 0.000 2.194 305 N HA 0.100 4.999 4.740 0.265 0.000 0.231 305 N C -0.071 175.460 175.510 0.035 0.000 1.247 305 N CA -0.513 52.550 53.050 0.021 0.000 0.884 305 N CB 0.547 39.061 38.487 0.045 0.000 1.146 305 N HN 0.177 nan 8.380 nan 0.000 0.516 306 L N -0.067 121.177 121.223 0.035 0.000 3.843 306 L HA -0.212 4.287 4.340 0.265 0.000 0.411 306 L C -0.337 176.673 176.870 0.233 0.000 1.205 306 L CA 0.875 55.762 54.840 0.078 0.000 0.945 306 L CB -2.558 39.380 42.059 -0.202 0.000 1.929 306 L HN 0.519 nan 8.230 nan 0.000 0.934 307 S N -1.231 114.567 115.700 0.162 0.000 2.548 307 S HA 0.878 5.507 4.470 0.265 0.000 0.276 307 S C -0.533 174.132 174.600 0.109 0.000 1.129 307 S CA -0.023 58.270 58.200 0.154 0.000 0.931 307 S CB 1.846 65.141 63.200 0.159 0.000 1.068 307 S HN 0.780 nan 8.310 nan 0.000 0.480 308 V N 1.377 121.345 119.914 0.090 0.000 2.680 308 V HA 0.729 5.008 4.120 0.265 0.000 0.309 308 V C -1.030 175.111 176.094 0.079 0.000 1.052 308 V CA -0.811 61.534 62.300 0.075 0.000 0.908 308 V CB 1.874 33.733 31.823 0.061 0.000 1.001 308 V HN 0.826 nan 8.190 nan 0.000 0.431 309 D N 3.003 123.455 120.400 0.088 0.000 2.192 309 D HA 0.608 5.407 4.640 0.265 0.000 0.246 309 D C -0.475 175.823 176.300 -0.003 0.000 1.042 309 D CA -0.082 53.962 54.000 0.073 0.000 0.847 309 D CB 2.516 43.353 40.800 0.063 0.000 1.186 309 D HN 0.864 nan 8.370 nan 0.000 0.461 310 V N -0.296 119.553 119.914 -0.107 0.000 2.577 310 V HA 0.556 4.835 4.120 0.265 0.000 0.303 310 V C -1.384 174.572 176.094 -0.229 0.000 1.042 310 V CA -0.799 61.439 62.300 -0.103 0.000 0.872 310 V CB 0.826 32.611 31.823 -0.064 0.000 0.998 310 V HN 0.321 nan 8.190 nan 0.000 0.423 311 Y N 3.627 123.824 120.300 -0.172 0.000 2.496 311 Y HA 0.863 5.571 4.550 0.265 0.000 0.331 311 Y C -0.357 175.305 175.900 -0.396 0.000 1.140 311 Y CA -1.026 56.990 58.100 -0.139 0.000 1.166 311 Y CB 1.854 40.238 38.460 -0.125 0.000 1.249 311 Y HN 0.725 nan 8.280 nan 0.000 0.479 312 Y N -0.472 119.904 120.300 0.126 0.000 2.625 312 Y HA 0.351 5.060 4.550 0.265 0.000 0.338 312 Y C -0.921 174.997 175.900 0.031 0.000 1.123 312 Y CA -1.404 56.718 58.100 0.036 0.000 1.046 312 Y CB 1.870 40.328 38.460 -0.004 0.000 1.299 312 Y HN 0.643 nan 8.280 nan 0.000 0.464 313 D N -0.399 120.121 120.400 0.201 0.000 2.449 313 D HA 0.421 5.220 4.640 0.265 0.000 0.250 313 D C -2.532 173.826 176.300 0.096 0.000 1.050 313 D CA -2.457 51.607 54.000 0.107 0.000 1.024 313 D CB 1.390 42.245 40.800 0.092 0.000 1.218 313 D HN 0.078 nan 8.370 nan 0.000 0.566 314 P HA -0.063 nan 4.420 nan 0.000 0.223 314 P C 1.082 178.435 177.300 0.089 0.000 1.144 314 P CA 1.078 64.246 63.100 0.112 0.000 0.783 314 P CB 0.056 31.847 31.700 0.151 0.000 0.771 315 M N -2.555 117.097 119.600 0.088 0.000 2.556 315 M HA 0.263 4.902 4.480 0.265 0.000 0.245 315 M C 1.245 177.604 176.300 0.099 0.000 1.128 315 M CA 0.647 55.995 55.300 0.079 0.000 1.069 315 M CB -1.390 31.256 32.600 0.076 0.000 1.469 315 M HN 0.098 nan 8.290 nan 0.000 0.494 316 G N 1.496 110.367 108.800 0.119 0.000 2.142 316 G HA2 -0.201 3.918 3.960 0.265 0.000 0.225 316 G HA3 -0.201 3.918 3.960 0.265 0.000 0.225 316 G C -0.112 174.934 174.900 0.244 0.000 1.015 316 G CA -0.289 44.892 45.100 0.136 0.000 0.716 316 G HN 0.441 nan 8.290 nan 0.000 0.508 317 N N 0.943 119.797 118.700 0.257 0.000 2.473 317 N HA 0.480 5.379 4.740 0.265 0.000 0.291 317 N C -2.734 172.836 175.510 0.100 0.000 1.083 317 N CA -1.206 51.985 53.050 0.236 0.000 0.951 317 N CB 1.791 40.409 38.487 0.219 0.000 1.164 317 N HN 0.052 nan 8.380 nan 0.000 0.480 318 P HA 0.291 nan 4.420 nan 0.000 0.274 318 P C -0.512 176.488 177.300 -0.500 0.000 1.231 318 P CA -0.056 62.792 63.100 -0.419 0.000 0.790 318 P CB 0.932 32.367 31.700 -0.441 0.000 0.951 319 L N 1.586 122.548 121.223 -0.435 0.000 2.381 319 L HA 0.388 4.887 4.340 0.265 0.000 0.268 319 L C 0.260 176.964 176.870 -0.277 0.000 0.997 319 L CA -0.451 54.205 54.840 -0.308 0.000 0.818 319 L CB 2.172 44.135 42.059 -0.160 0.000 1.310 319 L HN 0.309 nan 8.230 nan 0.000 0.416 320 D N 2.932 123.173 120.400 -0.264 0.000 2.638 320 D HA 0.066 4.865 4.640 0.265 0.000 0.245 320 D C 0.366 176.520 176.300 -0.243 0.000 1.176 320 D CA -0.023 53.846 54.000 -0.218 0.000 0.996 320 D CB 0.790 41.474 40.800 -0.193 0.000 1.012 320 D HN 0.541 nan 8.370 nan 0.000 0.515 321 K N 0.997 121.201 120.400 -0.326 0.000 2.367 321 K HA 0.188 4.667 4.320 0.265 0.000 0.195 321 K C 0.763 177.052 176.600 -0.519 0.000 1.060 321 K CA -0.077 55.886 56.287 -0.540 0.000 1.022 321 K CB 0.711 32.633 32.500 -0.962 0.000 0.894 321 K HN 0.233 nan 8.250 nan 0.000 0.540 322 G N 0.355 108.998 108.800 -0.262 0.000 2.371 322 G HA2 0.155 4.274 3.960 0.265 0.000 0.326 322 G HA3 0.155 4.274 3.960 0.265 0.000 0.326 322 G C 0.499 175.344 174.900 -0.093 0.000 1.127 322 G CA -0.469 44.581 45.100 -0.083 0.000 0.885 322 G HN 0.174 nan 8.290 nan 0.000 0.477 323 S N 1.094 116.730 115.700 -0.107 0.000 2.474 323 S HA -0.039 4.590 4.470 0.265 0.000 0.235 323 S C 0.483 174.984 174.600 -0.165 0.000 0.997 323 S CA 0.576 58.698 58.200 -0.131 0.000 0.949 323 S CB -0.044 63.080 63.200 -0.128 0.000 0.766 323 S HN 0.498 nan 8.310 nan 0.000 0.517 324 D N 1.534 121.872 120.400 -0.103 0.000 2.423 324 D HA 0.666 5.464 4.640 0.265 0.000 0.255 324 D C 0.028 176.312 176.300 -0.026 0.000 1.174 324 D CA 0.236 54.177 54.000 -0.098 0.000 1.008 324 D CB 1.407 42.199 40.800 -0.013 0.000 1.101 324 D HN 0.441 nan 8.370 nan 0.000 0.516 325 S N -1.588 114.142 115.700 0.049 0.000 2.565 325 S HA 0.490 5.119 4.470 0.265 0.000 0.274 325 S C -1.711 173.007 174.600 0.197 0.000 1.144 325 S CA -0.995 57.278 58.200 0.122 0.000 0.849 325 S CB 0.829 64.129 63.200 0.165 0.000 1.103 325 S HN 0.124 nan 8.310 nan 0.000 0.455 326 V N 2.528 122.556 119.914 0.191 0.000 2.326 326 V HA 0.470 4.749 4.120 0.265 0.000 0.281 326 V C -0.999 175.274 176.094 0.298 0.000 1.015 326 V CA -0.427 62.000 62.300 0.212 0.000 0.823 326 V CB 0.515 32.416 31.823 0.130 0.000 1.009 326 V HN 0.858 nan 8.190 nan 0.000 0.436 327 W N 2.997 124.273 121.300 -0.040 0.000 2.251 327 W HA 0.400 5.218 4.660 0.263 0.000 0.329 327 W C 1.481 178.043 176.519 0.072 0.000 1.234 327 W CA -1.001 56.302 57.345 -0.069 0.000 1.228 327 W CB 0.121 29.495 29.460 -0.143 0.000 1.135 327 W HN 0.460 nan 8.180 nan 0.000 0.576 328 N N 1.105 120.001 118.700 0.327 0.000 2.309 328 N HA -0.093 4.806 4.740 0.265 0.000 0.182 328 N C -0.250 175.617 175.510 0.595 0.000 1.018 328 N CA 1.097 54.411 53.050 0.439 0.000 0.876 328 N CB -0.020 38.759 38.487 0.487 0.000 0.972 328 N HN 0.376 nan 8.380 nan 0.000 0.434 329 F N -2.088 118.138 119.950 0.460 0.000 2.725 329 F HA 0.461 5.146 4.527 0.263 0.000 0.309 329 F C -1.356 174.746 175.800 0.504 0.000 1.132 329 F CA -1.304 56.804 58.000 0.180 0.000 0.957 329 F CB 0.860 39.685 39.000 -0.290 0.000 1.286 329 F HN -0.189 nan 8.300 nan 0.000 0.440 330 H N 1.531 120.775 119.070 0.290 0.000 2.771 330 H HA 0.815 5.530 4.556 0.266 0.000 0.361 330 H C -2.043 173.378 175.328 0.155 0.000 1.108 330 H CA -1.021 55.210 56.048 0.305 0.000 1.201 330 H CB 2.185 31.993 29.762 0.077 0.000 1.681 330 H HN 0.730 nan 8.280 nan 0.000 0.534 331 V N 5.785 125.614 119.914 -0.142 0.000 2.513 331 V HA 0.513 4.792 4.120 0.265 0.000 0.299 331 V C -0.779 175.122 176.094 -0.322 0.000 1.035 331 V CA -0.386 61.754 62.300 -0.266 0.000 0.889 331 V CB 0.830 32.706 31.823 0.087 0.000 0.988 331 V HN 0.890 nan 8.190 nan 0.000 0.440 332 W N 3.504 124.649 121.300 -0.259 0.000 2.962 332 W HA 0.702 5.520 4.660 0.263 0.000 0.405 332 W C -1.357 175.116 176.519 -0.077 0.000 1.121 332 W CA -1.089 56.151 57.345 -0.175 0.000 1.164 332 W CB 0.671 30.015 29.460 -0.194 0.000 1.489 332 W HN 0.394 nan 8.180 nan 0.000 0.599 333 N N -0.112 118.848 118.700 0.433 0.000 2.457 333 N HA 0.560 5.459 4.740 0.265 0.000 0.290 333 N C -1.722 173.989 175.510 0.336 0.000 1.232 333 N CA -0.987 52.218 53.050 0.257 0.000 0.852 333 N CB 1.935 40.517 38.487 0.158 0.000 1.313 333 N HN 0.468 nan 8.380 nan 0.000 0.522 334 E N -0.595 119.699 120.200 0.155 0.000 2.302 334 E HA 0.423 4.931 4.350 0.265 0.000 0.263 334 E C -0.992 175.762 176.600 0.257 0.000 0.897 334 E CA -0.643 55.850 56.400 0.156 0.000 0.809 334 E CB 1.499 31.149 29.700 -0.084 0.000 1.270 334 E HN 0.637 nan 8.360 nan 0.000 0.410 335 G N 2.274 111.240 108.800 0.276 0.000 2.451 335 G HA2 0.255 4.374 3.960 0.265 0.000 0.303 335 G HA3 0.255 4.374 3.960 0.265 0.000 0.303 335 G C -1.285 173.713 174.900 0.163 0.000 1.166 335 G CA -0.460 44.844 45.100 0.341 0.000 0.884 335 G HN 0.433 nan 8.290 nan 0.000 0.514 336 W N 3.239 124.509 121.300 -0.050 0.000 2.361 336 W HA 0.629 5.447 4.660 0.263 0.000 0.314 336 W C -1.852 174.565 176.519 -0.170 0.000 1.041 336 W CA -1.316 55.760 57.345 -0.449 0.000 1.241 336 W CB 0.960 29.921 29.460 -0.832 0.000 1.279 336 W HN 0.469 nan 8.180 nan 0.000 0.436 337 F N 2.874 122.469 119.950 -0.591 0.000 2.765 337 F HA 0.363 5.047 4.527 0.262 0.000 0.313 337 F C -0.972 174.580 175.800 -0.414 0.000 1.136 337 F CA -1.714 56.033 58.000 -0.422 0.000 0.952 337 F CB -0.361 38.516 39.000 -0.206 0.000 1.268 337 F HN 0.132 nan 8.300 nan 0.000 0.441 338 V N 0.721 120.600 119.914 -0.058 0.000 2.572 338 V HA 0.522 4.801 4.120 0.265 0.000 0.291 338 V C 0.113 176.253 176.094 0.077 0.000 1.039 338 V CA -0.567 61.695 62.300 -0.063 0.000 1.055 338 V CB 0.743 32.554 31.823 -0.020 0.000 0.969 338 V HN 0.798 nan 8.190 nan 0.000 0.482 339 R N 4.144 124.668 120.500 0.039 0.000 2.408 339 R HA 0.252 4.751 4.340 0.265 0.000 0.308 339 R C 1.323 177.667 176.300 0.074 0.000 1.210 339 R CA 0.575 56.734 56.100 0.098 0.000 1.115 339 R CB 0.729 31.075 30.300 0.078 0.000 1.127 339 R HN 1.048 nan 8.270 nan 0.000 0.523 340 S N 0.078 115.825 115.700 0.078 0.000 2.603 340 S HA -0.109 4.520 4.470 0.265 0.000 0.229 340 S C 0.981 175.610 174.600 0.049 0.000 0.972 340 S CA 0.720 58.955 58.200 0.058 0.000 0.935 340 S CB 0.031 63.267 63.200 0.059 0.000 0.769 340 S HN 0.523 nan 8.310 nan 0.000 0.536 341 D N 1.330 121.761 120.400 0.052 0.000 2.355 341 D HA 0.068 4.867 4.640 0.265 0.000 0.206 341 D C 1.679 177.965 176.300 -0.024 0.000 1.010 341 D CA 0.131 54.146 54.000 0.024 0.000 0.875 341 D CB -0.386 40.443 40.800 0.048 0.000 0.966 341 D HN 0.476 nan 8.370 nan 0.000 0.512 342 L N -0.389 120.820 121.223 -0.023 0.000 2.357 342 L HA 0.408 4.906 4.340 0.265 0.000 0.211 342 L C 1.120 177.995 176.870 0.009 0.000 1.075 342 L CA 0.521 55.300 54.840 -0.101 0.000 0.830 342 L CB 0.130 42.082 42.059 -0.177 0.000 0.996 342 L HN 0.269 nan 8.230 nan 0.000 0.467 343 G N -0.494 108.365 108.800 0.098 0.000 2.375 343 G HA2 -0.065 4.053 3.960 0.265 0.000 0.663 343 G HA3 -0.065 4.053 3.960 0.265 0.000 0.663 343 G C -2.454 172.528 174.900 0.137 0.000 1.391 343 G CA -0.387 44.797 45.100 0.140 0.000 0.949 343 G HN -0.182 nan 8.290 nan 0.000 0.646 344 P HA -0.167 nan 4.420 nan 0.000 0.217 344 P C 1.762 179.035 177.300 -0.045 0.000 1.148 344 P CA 2.246 65.351 63.100 0.008 0.000 0.828 344 P CB -0.060 31.640 31.700 0.000 0.000 0.783 345 S N -2.454 113.195 115.700 -0.085 0.000 2.562 345 S HA -0.043 4.586 4.470 0.265 0.000 0.221 345 S C 1.207 175.530 174.600 -0.461 0.000 0.975 345 S CA 0.023 58.051 58.200 -0.286 0.000 0.918 345 S CB -1.072 61.891 63.200 -0.395 0.000 0.772 345 S HN 0.164 nan 8.310 nan 0.000 0.531 346 Y N 1.956 122.207 120.300 -0.082 0.000 2.607 346 Y HA 0.501 5.209 4.550 0.264 0.000 0.266 346 Y C 1.569 177.374 175.900 -0.159 0.000 1.178 346 Y CA -0.711 57.328 58.100 -0.102 0.000 1.226 346 Y CB -0.118 38.297 38.460 -0.074 0.000 1.144 346 Y HN 0.362 nan 8.280 nan 0.000 0.528 347 G N -0.329 108.405 108.800 -0.111 0.000 2.563 347 G HA2 0.504 4.623 3.960 0.265 0.000 0.283 347 G HA3 0.504 4.623 3.960 0.265 0.000 0.283 347 G C 0.504 175.119 174.900 -0.475 0.000 1.309 347 G CA 0.312 45.255 45.100 -0.263 0.000 1.022 347 G HN 0.557 nan 8.290 nan 0.000 0.501 348 G N -1.626 106.632 108.800 -0.904 0.000 2.445 348 G HA2 -0.159 3.960 3.960 0.265 0.000 0.212 348 G HA3 -0.159 3.960 3.960 0.265 0.000 0.212 348 G C -0.315 173.922 174.900 -1.105 0.000 1.217 348 G CA -0.278 43.952 45.100 -1.451 0.000 1.002 348 G HN 0.796 nan 8.290 nan 0.000 0.574 349 W N 2.158 123.200 121.300 -0.430 0.000 2.322 349 W HA 0.512 5.328 4.660 0.259 0.000 0.328 349 W C 0.688 177.024 176.519 -0.304 0.000 1.395 349 W CA -0.235 56.995 57.345 -0.192 0.000 1.267 349 W CB 0.624 30.073 29.460 -0.019 0.000 1.259 349 W HN 0.404 nan 8.180 nan 0.000 0.560 350 Q N 2.214 121.973 119.800 -0.068 0.000 2.345 350 Q HA 0.458 4.956 4.340 0.265 0.000 0.268 350 Q C -0.739 175.284 176.000 0.038 0.000 1.054 350 Q CA -1.138 54.572 55.803 -0.155 0.000 0.835 350 Q CB 2.083 30.503 28.738 -0.530 0.000 1.339 350 Q HN 0.217 nan 8.270 nan 0.000 0.447 351 V N 2.941 122.897 119.914 0.071 0.000 2.432 351 V HA 0.428 4.707 4.120 0.265 0.000 0.275 351 V C -0.074 176.066 176.094 0.075 0.000 1.043 351 V CA -0.426 61.935 62.300 0.103 0.000 0.925 351 V CB 0.834 32.671 31.823 0.023 0.000 0.985 351 V HN 0.508 nan 8.190 nan 0.000 0.466 352 L N 4.508 125.801 121.223 0.116 0.000 2.406 352 L HA 0.608 5.106 4.340 0.265 0.000 0.272 352 L C -0.983 175.951 176.870 0.107 0.000 0.980 352 L CA -0.343 54.558 54.840 0.102 0.000 0.831 352 L CB 2.134 44.278 42.059 0.143 0.000 1.253 352 L HN 0.521 nan 8.230 nan 0.000 0.406 353 D N 2.100 122.532 120.400 0.053 0.000 2.505 353 D HA 0.442 5.241 4.640 0.265 0.000 0.250 353 D C 0.236 176.574 176.300 0.064 0.000 1.164 353 D CA -0.275 53.780 54.000 0.091 0.000 0.870 353 D CB 2.422 43.247 40.800 0.041 0.000 1.160 353 D HN 0.588 nan 8.370 nan 0.000 0.549 354 A N 2.746 125.615 122.820 0.081 0.000 2.238 354 A HA 0.120 4.599 4.320 0.265 0.000 0.210 354 A C 0.966 178.447 177.584 -0.173 0.000 1.179 354 A CA 0.220 52.277 52.037 0.032 0.000 0.827 354 A CB -0.024 19.058 19.000 0.136 0.000 0.856 354 A HN 0.459 nan 8.150 nan 0.000 0.488 355 T N 3.786 118.225 114.554 -0.192 0.000 2.817 355 T HA 0.263 4.772 4.350 0.265 0.000 0.295 355 T C -2.434 172.054 174.700 -0.353 0.000 0.958 355 T CA -0.417 61.412 62.100 -0.451 0.000 1.157 355 T CB 0.641 69.550 68.868 0.067 0.000 0.898 355 T HN 0.224 nan 8.240 nan 0.000 0.536 356 P HA 0.156 nan 4.420 nan 0.000 0.256 356 P C 0.025 177.071 177.300 -0.424 0.000 1.688 356 P CA 0.105 62.908 63.100 -0.495 0.000 1.162 356 P CB 0.484 31.715 31.700 -0.780 0.000 1.870 357 Q N 0.729 120.387 119.800 -0.238 0.000 2.389 357 Q HA 0.080 4.579 4.340 0.265 0.000 0.201 357 Q C 0.221 176.180 176.000 -0.067 0.000 0.956 357 Q CA 0.608 56.232 55.803 -0.299 0.000 0.871 357 Q CB 0.446 28.778 28.738 -0.677 0.000 0.990 357 Q HN 0.311 nan 8.270 nan 0.000 0.554 358 E N 0.279 120.312 120.200 -0.279 0.000 2.238 358 E HA 0.295 4.803 4.350 0.265 0.000 0.267 358 E C -1.307 175.108 176.600 -0.309 0.000 0.887 358 E CA -0.348 55.858 56.400 -0.324 0.000 0.769 358 E CB 1.239 30.408 29.700 -0.885 0.000 1.187 358 E HN -0.013 nan 8.360 nan 0.000 0.416 359 R N 1.506 121.733 120.500 -0.455 0.000 2.490 359 R HA 0.488 4.987 4.340 0.265 0.000 0.278 359 R C -0.638 175.463 176.300 -0.333 0.000 1.069 359 R CA -0.354 55.382 56.100 -0.607 0.000 1.080 359 R CB 1.363 31.238 30.300 -0.708 0.000 1.030 359 R HN 0.323 nan 8.270 nan 0.000 0.491 360 S N 1.536 117.082 115.700 -0.257 0.000 2.707 360 S HA 0.118 4.747 4.470 0.265 0.000 0.303 360 S C -0.648 173.886 174.600 -0.110 0.000 1.132 360 S CA -0.462 57.654 58.200 -0.139 0.000 1.046 360 S CB 0.672 63.820 63.200 -0.086 0.000 1.004 360 S HN 0.732 nan 8.310 nan 0.000 0.483 361 Q N 2.789 122.541 119.800 -0.080 0.000 2.502 361 Q HA -0.230 4.269 4.340 0.265 0.000 0.273 361 Q C 0.962 176.908 176.000 -0.090 0.000 1.127 361 Q CA 0.924 56.693 55.803 -0.056 0.000 0.952 361 Q CB -1.879 26.846 28.738 -0.021 0.000 1.333 361 Q HN 1.583 nan 8.270 nan 0.000 0.494 362 G N -1.779 106.937 108.800 -0.141 0.000 2.417 362 G HA2 -0.358 3.761 3.960 0.265 0.000 0.233 362 G HA3 -0.358 3.761 3.960 0.265 0.000 0.233 362 G C 0.263 175.017 174.900 -0.244 0.000 1.103 362 G CA 0.584 45.584 45.100 -0.167 0.000 0.647 362 G HN 1.138 nan 8.290 nan 0.000 0.512 363 V N -1.388 118.400 119.914 -0.209 0.000 2.834 363 V HA 0.830 5.109 4.120 0.265 0.000 0.313 363 V C 0.491 176.410 176.094 -0.292 0.000 1.060 363 V CA -1.354 60.820 62.300 -0.209 0.000 0.989 363 V CB 1.408 33.192 31.823 -0.065 0.000 1.041 363 V HN 0.391 nan 8.190 nan 0.000 0.459 364 F N 3.890 123.803 119.950 -0.061 0.000 2.600 364 F HA 0.403 5.089 4.527 0.265 0.000 0.345 364 F C 0.885 176.627 175.800 -0.096 0.000 1.271 364 F CA 0.141 58.086 58.000 -0.093 0.000 1.138 364 F CB -0.059 38.893 39.000 -0.080 0.000 1.449 364 F HN 0.735 nan 8.300 nan 0.000 0.645 365 Q N 1.418 121.215 119.800 -0.005 0.000 2.528 365 Q HA 0.802 5.300 4.340 0.265 0.000 0.289 365 Q C -1.444 174.520 176.000 -0.061 0.000 1.091 365 Q CA -1.153 54.627 55.803 -0.038 0.000 0.797 365 Q CB 2.730 31.417 28.738 -0.084 0.000 1.466 365 Q HN 0.373 nan 8.270 nan 0.000 0.436 366 C N 0.264 119.531 119.300 -0.054 0.000 3.050 366 C HA 0.752 5.371 4.460 0.265 0.000 0.416 366 C C -0.179 174.805 174.990 -0.010 0.000 0.994 366 C CA 1.063 60.065 59.018 -0.027 0.000 1.222 366 C CB 0.564 28.292 27.740 -0.019 0.000 1.612 366 C HN 1.369 nan 8.230 nan 0.000 0.550 367 G N 6.502 115.321 108.800 0.032 0.000 2.612 367 G HA2 0.090 4.209 3.960 0.265 0.000 0.686 367 G HA3 0.090 4.209 3.960 0.265 0.000 0.686 367 G C -3.365 171.526 174.900 -0.014 0.000 1.274 367 G CA -0.383 44.760 45.100 0.071 0.000 0.849 367 G HN 0.721 nan 8.290 nan 0.000 0.595 368 P HA 0.550 nan 4.420 nan 0.000 0.285 368 P C -0.456 177.009 177.300 0.276 0.000 1.259 368 P CA 0.216 63.466 63.100 0.250 0.000 0.794 368 P CB 1.722 33.641 31.700 0.365 0.000 0.940 369 A N 2.412 125.319 122.820 0.144 0.000 2.340 369 A HA 0.417 4.896 4.320 0.265 0.000 0.297 369 A C 0.365 177.979 177.584 0.049 0.000 1.195 369 A CA -0.697 51.397 52.037 0.095 0.000 0.769 369 A CB 0.474 19.519 19.000 0.076 0.000 1.163 369 A HN 0.496 nan 8.150 nan 0.000 0.472 370 S N 2.213 117.933 115.700 0.033 0.000 2.575 370 S HA 0.083 4.712 4.470 0.265 0.000 0.295 370 S C 1.350 175.955 174.600 0.009 0.000 1.267 370 S CA 0.035 58.245 58.200 0.016 0.000 1.074 370 S CB 0.208 63.468 63.200 0.100 0.000 0.829 370 S HN 0.852 nan 8.310 nan 0.000 0.497 371 V N 6.989 126.867 119.914 -0.060 0.000 2.515 371 V HA -0.144 4.135 4.120 0.265 0.000 0.250 371 V C 2.105 178.116 176.094 -0.139 0.000 1.058 371 V CA 1.813 63.988 62.300 -0.208 0.000 1.064 371 V CB -0.661 30.934 31.823 -0.381 0.000 0.675 371 V HN 0.896 nan 8.190 nan 0.000 0.461 372 I N 0.830 121.362 120.570 -0.063 0.000 2.252 372 I HA -0.134 4.195 4.170 0.265 0.000 0.245 372 I C 2.555 178.709 176.117 0.061 0.000 1.102 372 I CA 1.622 62.892 61.300 -0.050 0.000 1.385 372 I CB -0.834 37.098 38.000 -0.113 0.000 1.064 372 I HN 0.412 nan 8.210 nan 0.000 0.414 373 G N 0.303 109.220 108.800 0.196 0.000 2.470 373 G HA2 -0.134 3.985 3.960 0.265 0.000 0.220 373 G HA3 -0.134 3.985 3.960 0.265 0.000 0.220 373 G C 1.646 176.652 174.900 0.177 0.000 1.121 373 G CA 0.631 45.914 45.100 0.304 0.000 0.766 373 G HN 0.253 nan 8.290 nan 0.000 0.553 374 V N 0.162 120.168 119.914 0.153 0.000 2.446 374 V HA -0.014 4.265 4.120 0.265 0.000 0.244 374 V C 2.671 178.986 176.094 0.368 0.000 1.039 374 V CA 1.666 64.127 62.300 0.268 0.000 1.045 374 V CB -0.357 31.611 31.823 0.242 0.000 0.681 374 V HN 0.368 nan 8.190 nan 0.000 0.459 375 R N 0.276 120.898 120.500 0.204 0.000 2.120 375 R HA -0.147 4.352 4.340 0.265 0.000 0.234 375 R C 1.879 178.365 176.300 0.310 0.000 1.123 375 R CA 1.339 57.559 56.100 0.200 0.000 0.975 375 R CB 0.028 30.313 30.300 -0.023 0.000 0.866 375 R HN 0.429 nan 8.270 nan 0.000 0.446 376 E N -0.721 119.625 120.200 0.244 0.000 2.489 376 E HA 0.084 4.593 4.350 0.265 0.000 0.193 376 E C 0.626 177.319 176.600 0.155 0.000 1.057 376 E CA 0.723 57.275 56.400 0.254 0.000 0.866 376 E CB 0.640 30.447 29.700 0.179 0.000 0.916 376 E HN 0.525 nan 8.360 nan 0.000 0.500 377 G N 2.521 111.379 108.800 0.098 0.000 2.272 377 G HA2 -0.215 3.904 3.960 0.265 0.000 0.280 377 G HA3 -0.215 3.904 3.960 0.265 0.000 0.280 377 G C -0.434 174.340 174.900 -0.210 0.000 1.067 377 G CA 0.116 45.060 45.100 -0.259 0.000 0.902 377 G HN 0.116 nan 8.290 nan 0.000 0.500 378 D N 0.543 120.889 120.400 -0.089 0.000 2.973 378 D HA 0.225 5.024 4.640 0.265 0.000 0.263 378 D C 1.942 178.160 176.300 -0.138 0.000 1.266 378 D CA 0.306 54.257 54.000 -0.082 0.000 0.975 378 D CB 0.590 41.399 40.800 0.015 0.000 1.032 378 D HN 0.588 nan 8.370 nan 0.000 0.510 379 V N -0.522 119.269 119.914 -0.205 0.000 3.590 379 V HA -0.156 4.123 4.120 0.265 0.000 0.272 379 V C 1.189 177.194 176.094 -0.149 0.000 1.233 379 V CA 0.772 62.964 62.300 -0.181 0.000 1.182 379 V CB -0.626 31.049 31.823 -0.246 0.000 0.901 379 V HN 0.057 nan 8.190 nan 0.000 0.485 380 Q N 0.290 119.997 119.800 -0.154 0.000 2.392 380 Q HA 0.416 4.915 4.340 0.265 0.000 0.203 380 Q C 0.505 176.398 176.000 -0.179 0.000 0.917 380 Q CA 0.377 56.092 55.803 -0.147 0.000 0.939 380 Q CB -0.240 28.419 28.738 -0.131 0.000 1.063 380 Q HN 0.636 nan 8.270 nan 0.000 0.516 381 L N 1.136 122.234 121.223 -0.209 0.000 2.399 381 L HA 0.327 4.826 4.340 0.265 0.000 0.265 381 L C 0.083 176.784 176.870 -0.282 0.000 1.089 381 L CA -0.939 53.738 54.840 -0.272 0.000 0.802 381 L CB 0.722 42.578 42.059 -0.338 0.000 1.180 381 L HN 0.136 nan 8.230 nan 0.000 0.454 382 N N 0.743 119.179 118.700 -0.440 0.000 2.524 382 N HA 0.471 5.370 4.740 0.265 0.000 0.283 382 N C -0.984 174.313 175.510 -0.355 0.000 1.142 382 N CA -0.088 52.528 53.050 -0.723 0.000 0.984 382 N CB 1.256 38.664 38.487 -1.799 0.000 1.155 382 N HN 0.190 nan 8.380 nan 0.000 0.467 383 F N -0.550 119.396 119.950 -0.007 0.000 2.579 383 F HA 0.274 4.961 4.527 0.267 0.000 0.324 383 F C 0.656 176.457 175.800 0.002 0.000 1.058 383 F CA -0.876 57.120 58.000 -0.007 0.000 0.944 383 F CB 0.867 39.868 39.000 0.002 0.000 1.245 383 F HN 0.347 nan 8.300 nan 0.000 0.477 384 D N 1.348 121.853 120.400 0.175 0.000 2.702 384 D HA -0.230 4.569 4.640 0.265 0.000 0.233 384 D C 1.207 177.586 176.300 0.133 0.000 1.164 384 D CA 0.712 54.796 54.000 0.139 0.000 0.638 384 D CB -0.726 40.163 40.800 0.148 0.000 1.041 384 D HN 0.588 nan 8.370 nan 0.000 0.422 385 M N -1.245 118.395 119.600 0.066 0.000 2.156 385 M HA -0.074 4.565 4.480 0.265 0.000 0.264 385 M C -0.686 175.657 176.300 0.072 0.000 1.067 385 M CA 1.396 56.728 55.300 0.054 0.000 1.131 385 M CB -1.022 31.576 32.600 -0.003 0.000 1.368 385 M HN 0.018 nan 8.290 nan 0.000 0.416 386 P HA -0.198 nan 4.420 nan 0.000 0.215 386 P C 1.418 178.787 177.300 0.115 0.000 1.157 386 P CA 1.308 64.438 63.100 0.049 0.000 0.874 386 P CB -0.253 31.459 31.700 0.021 0.000 0.790 387 F N 0.064 120.013 119.950 -0.002 0.000 2.102 387 F HA -0.166 4.519 4.527 0.264 0.000 0.298 387 F C 2.008 177.775 175.800 -0.055 0.000 1.105 387 F CA 1.467 59.452 58.000 -0.026 0.000 1.239 387 F CB -0.915 38.049 39.000 -0.059 0.000 0.991 387 F HN -0.224 nan 8.300 nan 0.000 0.474 388 I N -0.912 119.497 120.570 -0.269 0.000 2.252 388 I HA -0.280 4.049 4.170 0.265 0.000 0.245 388 I C 2.325 178.293 176.117 -0.248 0.000 1.102 388 I CA 1.306 62.352 61.300 -0.423 0.000 1.385 388 I CB -0.629 37.252 38.000 -0.198 0.000 1.064 388 I HN 0.162 nan 8.210 nan 0.000 0.414 389 F N 1.746 121.594 119.950 -0.171 0.000 2.161 389 F HA -0.253 4.433 4.527 0.265 0.000 0.300 389 F C 2.451 178.189 175.800 -0.104 0.000 1.089 389 F CA 1.435 59.387 58.000 -0.080 0.000 1.282 389 F CB -0.227 38.739 39.000 -0.056 0.000 1.010 389 F HN 0.011 nan 8.300 nan 0.000 0.485 390 A N -0.250 122.535 122.820 -0.058 0.000 1.969 390 A HA -0.163 4.316 4.320 0.265 0.000 0.218 390 A C 2.083 179.533 177.584 -0.223 0.000 1.169 390 A CA 1.664 53.640 52.037 -0.102 0.000 0.635 390 A CB -0.695 18.266 19.000 -0.065 0.000 0.810 390 A HN 0.546 nan 8.150 nan 0.000 0.445 391 E N -0.234 119.728 120.200 -0.396 0.000 2.152 391 E HA -0.108 4.401 4.350 0.265 0.000 0.192 391 E C 1.893 178.392 176.600 -0.168 0.000 0.983 391 E CA 1.526 57.720 56.400 -0.343 0.000 0.818 391 E CB -0.195 29.207 29.700 -0.496 0.000 0.758 391 E HN 0.654 nan 8.360 nan 0.000 0.467 392 V N -1.846 117.945 119.914 -0.205 0.000 3.307 392 V HA 0.185 4.464 4.120 0.265 0.000 0.253 392 V C 0.991 176.967 176.094 -0.196 0.000 1.149 392 V CA 0.822 63.025 62.300 -0.161 0.000 1.112 392 V CB 0.157 31.889 31.823 -0.151 0.000 0.777 392 V HN 0.055 nan 8.190 nan 0.000 0.464 393 N N 0.235 118.765 118.700 -0.284 0.000 2.381 393 N HA 0.479 5.378 4.740 0.265 0.000 0.257 393 N C 0.044 175.576 175.510 0.037 0.000 1.409 393 N CA 0.484 53.417 53.050 -0.194 0.000 0.836 393 N CB 0.873 39.135 38.487 -0.376 0.000 1.384 393 N HN 0.654 nan 8.380 nan 0.000 0.490 394 A N -0.204 122.648 122.820 0.055 0.000 2.366 394 A HA 0.357 4.836 4.320 0.265 0.000 0.249 394 A C -0.262 177.407 177.584 0.142 0.000 1.084 394 A CA -0.042 52.121 52.037 0.211 0.000 0.794 394 A CB 0.265 19.331 19.000 0.111 0.000 1.034 394 A HN 0.283 nan 8.150 nan 0.000 0.491 395 D N 0.333 120.834 120.400 0.169 0.000 2.210 395 D HA 0.301 5.100 4.640 0.265 0.000 0.249 395 D C 0.054 176.356 176.300 0.003 0.000 1.078 395 D CA 0.050 54.039 54.000 -0.018 0.000 0.875 395 D CB 1.029 41.763 40.800 -0.110 0.000 1.175 395 D HN 0.493 nan 8.370 nan 0.000 0.440 396 R N 3.165 123.641 120.500 -0.040 0.000 2.198 396 R HA 0.372 4.871 4.340 0.265 0.000 0.339 396 R C -0.503 175.752 176.300 -0.075 0.000 1.020 396 R CA -0.437 55.646 56.100 -0.028 0.000 0.864 396 R CB 0.117 30.408 30.300 -0.015 0.000 1.105 396 R HN 0.408 nan 8.270 nan 0.000 0.463 397 I N 3.482 124.002 120.570 -0.083 0.000 2.353 397 I HA 0.199 4.528 4.170 0.265 0.000 0.293 397 I C -0.011 175.939 176.117 -0.279 0.000 0.992 397 I CA -0.517 60.647 61.300 -0.226 0.000 1.268 397 I CB 2.139 40.003 38.000 -0.226 0.000 1.387 397 I HN 0.530 nan 8.210 nan 0.000 0.478 398 T N 4.976 119.312 114.554 -0.363 0.000 2.756 398 T HA 0.345 4.854 4.350 0.265 0.000 0.290 398 T C -0.883 173.568 174.700 -0.416 0.000 0.985 398 T CA -0.369 61.582 62.100 -0.249 0.000 0.955 398 T CB 0.332 69.152 68.868 -0.080 0.000 0.930 398 T HN 0.300 nan 8.240 nan 0.000 0.451 399 W N 2.784 123.884 121.300 -0.333 0.000 2.512 399 W HA 0.631 5.449 4.660 0.264 0.000 0.335 399 W C -0.425 175.949 176.519 -0.241 0.000 1.088 399 W CA -1.034 56.102 57.345 -0.348 0.000 1.236 399 W CB 0.824 29.910 29.460 -0.624 0.000 1.307 399 W HN 0.160 nan 8.180 nan 0.000 0.567 400 L N 3.007 124.127 121.223 -0.171 0.000 2.317 400 L HA 0.434 4.933 4.340 0.265 0.000 0.281 400 L C -1.370 175.182 176.870 -0.531 0.000 1.024 400 L CA -1.177 53.321 54.840 -0.570 0.000 0.810 400 L CB 1.052 42.269 42.059 -1.404 0.000 1.240 400 L HN 0.583 nan 8.230 nan 0.000 0.427 401 Y N 2.775 122.844 120.300 -0.384 0.000 2.330 401 Y HA 0.285 4.994 4.550 0.265 0.000 0.324 401 Y C -1.032 174.850 175.900 -0.030 0.000 1.093 401 Y CA -0.990 57.025 58.100 -0.142 0.000 1.103 401 Y CB 1.413 39.890 38.460 0.028 0.000 1.183 401 Y HN 0.641 nan 8.280 nan 0.000 0.433 402 D N 4.255 124.431 120.400 -0.373 0.000 2.373 402 D HA 0.145 4.944 4.640 0.265 0.000 0.227 402 D C 0.585 176.524 176.300 -0.601 0.000 1.091 402 D CA -0.074 53.765 54.000 -0.268 0.000 0.840 402 D CB 1.047 41.896 40.800 0.082 0.000 1.060 402 D HN 0.695 nan 8.370 nan 0.000 0.502 403 N N 1.998 120.364 118.700 -0.556 0.000 2.223 403 N HA -0.197 4.702 4.740 0.265 0.000 0.185 403 N C 1.654 177.061 175.510 -0.172 0.000 1.016 403 N CA 1.903 54.718 53.050 -0.392 0.000 0.863 403 N CB 0.003 38.450 38.487 -0.066 0.000 0.983 403 N HN 0.534 nan 8.380 nan 0.000 0.429 404 T N -3.882 110.605 114.554 -0.112 0.000 2.946 404 T HA -0.131 4.378 4.350 0.265 0.000 0.271 404 T C 1.558 176.230 174.700 -0.047 0.000 1.104 404 T CA 1.834 63.903 62.100 -0.052 0.000 1.114 404 T CB -0.694 68.158 68.868 -0.026 0.000 0.867 404 T HN 0.366 nan 8.240 nan 0.000 0.513 405 T N -4.184 110.326 114.554 -0.073 0.000 2.975 405 T HA 0.521 5.029 4.350 0.265 0.000 0.261 405 T C 1.882 176.564 174.700 -0.029 0.000 0.984 405 T CA 0.639 62.717 62.100 -0.037 0.000 0.911 405 T CB -0.048 68.811 68.868 -0.015 0.000 1.127 405 T HN 0.891 nan 8.240 nan 0.000 0.514 406 G N 2.022 110.767 108.800 -0.093 0.000 2.189 406 G HA2 -0.329 3.790 3.960 0.265 0.000 0.267 406 G HA3 -0.329 3.790 3.960 0.265 0.000 0.267 406 G C 0.015 174.985 174.900 0.118 0.000 0.975 406 G CA 0.670 45.782 45.100 0.020 0.000 0.644 406 G HN 0.904 nan 8.290 nan 0.000 0.537 407 K N 0.462 120.906 120.400 0.074 0.000 2.202 407 K HA 0.519 4.998 4.320 0.265 0.000 0.264 407 K C 0.057 176.933 176.600 0.460 0.000 1.010 407 K CA -0.178 56.257 56.287 0.247 0.000 0.940 407 K CB 0.481 33.106 32.500 0.208 0.000 0.983 407 K HN 0.359 nan 8.250 nan 0.000 0.475 408 Q N 3.740 123.903 119.800 0.605 0.000 2.284 408 Q HA 0.353 4.851 4.340 0.265 0.000 0.269 408 Q C -2.253 174.228 176.000 0.802 0.000 1.026 408 Q CA -0.848 55.348 55.803 0.655 0.000 0.831 408 Q CB 1.184 30.189 28.738 0.446 0.000 1.322 408 Q HN 0.726 nan 8.270 nan 0.000 0.419 409 W N 2.840 124.421 121.300 0.469 0.000 3.042 409 W HA 0.520 5.340 4.660 0.266 0.000 0.337 409 W C -1.194 175.527 176.519 0.338 0.000 1.086 409 W CA -1.104 56.494 57.345 0.422 0.000 1.236 409 W CB 0.793 30.379 29.460 0.210 0.000 1.381 409 W HN 0.585 nan 8.180 nan 0.000 0.472 410 K N 2.408 122.902 120.400 0.157 0.000 2.561 410 K HA -0.135 4.344 4.320 0.265 0.000 0.280 410 K C 0.261 176.712 176.600 -0.249 0.000 0.975 410 K CA 1.136 57.036 56.287 -0.645 0.000 1.024 410 K CB 0.644 32.701 32.500 -0.738 0.000 0.883 410 K HN 0.814 nan 8.250 nan 0.000 0.496 411 N N 0.544 119.036 118.700 -0.347 0.000 2.516 411 N HA 0.010 4.909 4.740 0.265 0.000 0.197 411 N C -1.092 174.322 175.510 -0.161 0.000 1.064 411 N CA 0.539 53.489 53.050 -0.166 0.000 0.866 411 N CB 0.636 39.029 38.487 -0.157 0.000 1.255 411 N HN 0.648 nan 8.380 nan 0.000 0.447 412 S N -1.605 113.950 115.700 -0.241 0.000 2.656 412 S HA 0.539 5.168 4.470 0.265 0.000 0.265 412 S C -1.744 172.722 174.600 -0.223 0.000 1.132 412 S CA -0.856 57.234 58.200 -0.184 0.000 0.819 412 S CB 1.452 64.582 63.200 -0.118 0.000 1.119 412 S HN -0.132 nan 8.310 nan 0.000 0.476 413 V N 2.002 121.819 119.914 -0.162 0.000 2.612 413 V HA 0.588 4.867 4.120 0.265 0.000 0.301 413 V C -1.214 174.802 176.094 -0.130 0.000 1.059 413 V CA -0.602 61.602 62.300 -0.160 0.000 0.886 413 V CB 1.763 33.491 31.823 -0.158 0.000 1.007 413 V HN 0.906 nan 8.190 nan 0.000 0.426 414 N N 2.210 120.837 118.700 -0.123 0.000 2.417 414 N HA 0.362 5.260 4.740 0.265 0.000 0.274 414 N C 0.095 175.490 175.510 -0.191 0.000 0.987 414 N CA -0.233 52.748 53.050 -0.114 0.000 0.912 414 N CB 2.114 40.568 38.487 -0.056 0.000 1.177 414 N HN 0.560 nan 8.380 nan 0.000 0.490 415 S N 2.327 117.823 115.700 -0.340 0.000 2.561 415 S HA 0.214 4.843 4.470 0.265 0.000 0.245 415 S C 0.215 174.365 174.600 -0.750 0.000 1.001 415 S CA -0.296 57.566 58.200 -0.564 0.000 1.002 415 S CB -0.005 62.769 63.200 -0.710 0.000 0.805 415 S HN 0.580 nan 8.310 nan 0.000 0.458 416 H N -1.279 117.742 119.070 -0.081 0.000 3.899 416 H HA 0.183 4.898 4.556 0.265 0.000 0.260 416 H C 1.906 177.200 175.328 -0.057 0.000 1.122 416 H CA 0.351 56.359 56.048 -0.067 0.000 1.165 416 H CB -0.095 29.630 29.762 -0.062 0.000 1.503 416 H HN 0.296 nan 8.280 nan 0.000 0.671 417 T N 0.971 115.556 114.554 0.051 0.000 2.867 417 T HA 0.084 4.593 4.350 0.265 0.000 0.268 417 T C 1.003 175.721 174.700 0.030 0.000 1.057 417 T CA 0.383 62.505 62.100 0.036 0.000 1.136 417 T CB -0.262 68.627 68.868 0.035 0.000 0.874 417 T HN 0.077 nan 8.240 nan 0.000 0.466 418 I N 1.204 121.783 120.570 0.015 0.000 2.474 418 I HA 0.394 4.723 4.170 0.265 0.000 0.287 418 I C 1.089 177.207 176.117 0.001 0.000 1.048 418 I CA 0.256 61.568 61.300 0.019 0.000 1.383 418 I CB 0.930 38.932 38.000 0.004 0.000 1.412 418 I HN 0.413 nan 8.210 nan 0.000 0.531 419 G N 5.432 114.242 108.800 0.016 0.000 2.623 419 G HA2 -0.205 3.914 3.960 0.265 0.000 0.281 419 G HA3 -0.205 3.914 3.960 0.265 0.000 0.281 419 G C -0.329 174.558 174.900 -0.021 0.000 1.087 419 G CA -0.558 44.539 45.100 -0.006 0.000 1.244 419 G HN 0.675 nan 8.290 nan 0.000 0.544 420 R N -0.731 119.773 120.500 0.007 0.000 2.888 420 R HA 0.567 5.065 4.340 0.265 0.000 0.266 420 R C 0.579 176.888 176.300 0.015 0.000 1.020 420 R CA -1.219 54.801 56.100 -0.133 0.000 0.963 420 R CB 1.138 31.264 30.300 -0.289 0.000 1.197 420 R HN 0.464 nan 8.270 nan 0.000 0.481 421 Y N 0.212 120.539 120.300 0.046 0.000 3.220 421 Y HA -0.254 4.455 4.550 0.264 0.000 0.214 421 Y C 0.217 176.177 175.900 0.100 0.000 1.166 421 Y CA -0.260 57.847 58.100 0.012 0.000 1.264 421 Y CB -1.626 36.756 38.460 -0.130 0.000 1.324 421 Y HN 0.444 nan 8.280 nan 0.000 0.586 422 I N 1.253 121.907 120.570 0.141 0.000 2.792 422 I HA -0.088 4.241 4.170 0.265 0.000 0.284 422 I C 0.590 176.713 176.117 0.010 0.000 1.166 422 I CA 0.826 62.138 61.300 0.019 0.000 1.375 422 I CB 0.053 38.002 38.000 -0.086 0.000 1.421 422 I HN 0.166 nan 8.210 nan 0.000 0.544 423 S N 4.263 119.963 115.700 -0.000 0.000 2.664 423 S HA 0.721 5.350 4.470 0.265 0.000 0.304 423 S C -0.102 174.516 174.600 0.031 0.000 1.099 423 S CA -0.698 57.458 58.200 -0.073 0.000 1.003 423 S CB 2.447 65.448 63.200 -0.331 0.000 1.092 423 S HN 0.690 nan 8.310 nan 0.000 0.525 424 T N 0.648 115.261 114.554 0.099 0.000 2.889 424 T HA 0.363 4.872 4.350 0.265 0.000 0.315 424 T C -1.509 173.425 174.700 0.389 0.000 1.291 424 T CA -0.780 61.439 62.100 0.198 0.000 1.028 424 T CB 1.199 70.069 68.868 0.002 0.000 1.235 424 T HN 0.613 nan 8.240 nan 0.000 0.491 425 K N 2.557 123.167 120.400 0.350 0.000 2.412 425 K HA 0.566 5.045 4.320 0.265 0.000 0.281 425 K C 0.480 177.200 176.600 0.200 0.000 1.027 425 K CA -0.330 56.135 56.287 0.297 0.000 0.989 425 K CB 0.407 32.984 32.500 0.130 0.000 0.935 425 K HN 0.721 nan 8.250 nan 0.000 0.475 426 A N 3.355 126.277 122.820 0.170 0.000 2.492 426 A HA 0.113 4.592 4.320 0.265 0.000 0.236 426 A C -0.233 177.369 177.584 0.030 0.000 1.078 426 A CA -0.443 51.648 52.037 0.091 0.000 0.773 426 A CB 0.378 19.419 19.000 0.069 0.000 1.023 426 A HN 0.567 nan 8.150 nan 0.000 0.504 427 V N 1.710 121.611 119.914 -0.020 0.000 2.415 427 V HA 0.458 4.737 4.120 0.265 0.000 0.267 427 V C 1.450 177.491 176.094 -0.087 0.000 1.042 427 V CA 1.228 63.451 62.300 -0.127 0.000 1.000 427 V CB -0.246 31.476 31.823 -0.168 0.000 1.015 427 V HN 1.929 nan 8.190 nan 0.000 0.478 428 G N 3.922 112.669 108.800 -0.089 0.000 2.136 428 G HA2 -0.184 3.935 3.960 0.265 0.000 0.242 428 G HA3 -0.184 3.935 3.960 0.265 0.000 0.242 428 G C 0.146 175.034 174.900 -0.019 0.000 0.989 428 G CA 0.589 45.658 45.100 -0.053 0.000 0.682 428 G HN 1.588 nan 8.290 nan 0.000 0.522 429 S N -2.160 113.538 115.700 -0.004 0.000 2.636 429 S HA 0.595 5.224 4.470 0.265 0.000 0.268 429 S C 0.178 174.797 174.600 0.033 0.000 1.159 429 S CA -0.023 58.184 58.200 0.013 0.000 0.815 429 S CB 0.938 64.146 63.200 0.013 0.000 1.130 429 S HN 0.020 nan 8.310 nan 0.000 0.471 430 N N 0.819 119.542 118.700 0.037 0.000 2.336 430 N HA 0.301 5.200 4.740 0.265 0.000 0.189 430 N C 0.627 176.212 175.510 0.126 0.000 1.113 430 N CA 0.592 53.675 53.050 0.055 0.000 0.858 430 N CB 0.121 38.622 38.487 0.023 0.000 0.970 430 N HN 0.842 nan 8.380 nan 0.000 0.471 431 A N 0.934 123.816 122.820 0.104 0.000 2.520 431 A HA 0.068 4.547 4.320 0.265 0.000 0.235 431 A C 0.733 178.424 177.584 0.180 0.000 1.065 431 A CA -0.189 51.910 52.037 0.104 0.000 0.764 431 A CB 0.278 19.304 19.000 0.043 0.000 1.002 431 A HN 0.259 nan 8.150 nan 0.000 0.502 432 R N 2.362 122.897 120.500 0.058 0.000 2.216 432 R HA 0.383 4.882 4.340 0.265 0.000 0.332 432 R C -0.378 175.806 176.300 -0.194 0.000 1.056 432 R CA -0.107 55.842 56.100 -0.252 0.000 0.901 432 R CB 0.222 30.064 30.300 -0.764 0.000 1.039 432 R HN 0.821 nan 8.270 nan 0.000 0.456 433 M N 4.662 124.202 119.600 -0.101 0.000 2.113 433 M HA 0.139 4.778 4.480 0.265 0.000 0.352 433 M C -0.828 175.420 176.300 -0.087 0.000 1.170 433 M CA -0.310 54.959 55.300 -0.052 0.000 1.053 433 M CB 1.094 33.709 32.600 0.025 0.000 1.601 433 M HN 0.507 nan 8.290 nan 0.000 0.459 434 D N 4.927 125.288 120.400 -0.066 0.000 2.313 434 D HA 0.220 5.019 4.640 0.265 0.000 0.239 434 D C 0.242 176.550 176.300 0.012 0.000 1.142 434 D CA -0.200 53.781 54.000 -0.031 0.000 0.847 434 D CB 1.271 42.071 40.800 -0.001 0.000 1.082 434 D HN 0.590 nan 8.370 nan 0.000 0.480 435 V N 1.472 121.406 119.914 0.033 0.000 3.121 435 V HA 0.129 4.408 4.120 0.265 0.000 0.344 435 V C 1.566 177.745 176.094 0.141 0.000 1.390 435 V CA -0.258 62.085 62.300 0.072 0.000 1.177 435 V CB -0.182 31.678 31.823 0.061 0.000 1.163 435 V HN 0.412 nan 8.190 nan 0.000 0.484 436 T N 2.094 116.711 114.554 0.105 0.000 2.720 436 T HA -0.201 4.308 4.350 0.265 0.000 0.268 436 T C 1.577 176.341 174.700 0.106 0.000 1.037 436 T CA 2.264 64.432 62.100 0.113 0.000 1.144 436 T CB -0.441 68.453 68.868 0.043 0.000 0.864 436 T HN 0.869 nan 8.240 nan 0.000 0.444 437 D N 1.060 121.495 120.400 0.058 0.000 2.384 437 D HA -0.109 4.690 4.640 0.265 0.000 0.222 437 D C 1.644 177.939 176.300 -0.008 0.000 0.976 437 D CA 0.668 54.680 54.000 0.019 0.000 0.915 437 D CB -0.074 40.731 40.800 0.008 0.000 0.896 437 D HN 0.215 nan 8.370 nan 0.000 0.523 438 K N -0.374 120.047 120.400 0.035 0.000 2.242 438 K HA 0.006 4.485 4.320 0.265 0.000 0.200 438 K C 1.486 178.031 176.600 -0.092 0.000 1.050 438 K CA 0.305 56.572 56.287 -0.034 0.000 0.981 438 K CB -0.265 32.217 32.500 -0.030 0.000 0.795 438 K HN 0.279 nan 8.250 nan 0.000 0.477 439 Y N 1.610 121.915 120.300 0.009 0.000 2.517 439 Y HA 0.016 4.724 4.550 0.263 0.000 0.281 439 Y C 0.619 176.525 175.900 0.011 0.000 1.125 439 Y CA 0.289 58.406 58.100 0.028 0.000 1.283 439 Y CB 0.485 38.973 38.460 0.046 0.000 1.042 439 Y HN -0.034 nan 8.280 nan 0.000 0.547 440 K N -2.610 117.856 120.400 0.110 0.000 2.642 440 K HA 0.232 4.711 4.320 0.265 0.000 0.290 440 K C -1.700 174.926 176.600 0.043 0.000 1.006 440 K CA -0.939 55.408 56.287 0.100 0.000 0.869 440 K CB 0.650 33.220 32.500 0.117 0.000 1.499 440 K HN -0.186 nan 8.250 nan 0.000 0.403 441 Y N 0.570 120.929 120.300 0.098 0.000 2.299 441 Y HA 0.224 4.933 4.550 0.266 0.000 0.335 441 Y C -1.925 174.013 175.900 0.064 0.000 1.287 441 Y CA -1.547 56.599 58.100 0.076 0.000 1.424 441 Y CB 0.280 38.790 38.460 0.082 0.000 1.326 441 Y HN 0.406 nan 8.280 nan 0.000 0.567 442 P HA -0.048 nan 4.420 nan 0.000 0.263 442 P C -0.763 176.600 177.300 0.105 0.000 1.195 442 P CA 0.241 63.409 63.100 0.114 0.000 0.762 442 P CB 0.383 32.133 31.700 0.082 0.000 0.799 443 E N 2.448 122.694 120.200 0.077 0.000 2.452 443 E HA 0.162 4.671 4.350 0.265 0.000 0.261 443 E C 1.520 178.078 176.600 -0.071 0.000 0.987 443 E CA 1.202 57.675 56.400 0.122 0.000 0.926 443 E CB 0.025 29.804 29.700 0.133 0.000 0.934 443 E HN 0.784 nan 8.360 nan 0.000 0.452 444 G N 2.290 111.060 108.800 -0.049 0.000 2.141 444 G HA2 -0.258 3.861 3.960 0.265 0.000 0.231 444 G HA3 -0.258 3.861 3.960 0.265 0.000 0.231 444 G C 0.178 175.068 174.900 -0.016 0.000 0.984 444 G CA 0.371 45.366 45.100 -0.176 0.000 0.660 444 G HN 0.705 nan 8.290 nan 0.000 0.525 445 S N -0.852 114.878 115.700 0.051 0.000 2.536 445 S HA 0.638 5.267 4.470 0.265 0.000 0.298 445 S C 0.565 175.187 174.600 0.037 0.000 1.083 445 S CA 0.290 58.514 58.200 0.040 0.000 0.995 445 S CB 2.208 65.444 63.200 0.060 0.000 1.058 445 S HN -0.042 nan 8.310 nan 0.000 0.488 446 D N 1.623 122.027 120.400 0.007 0.000 2.190 446 D HA -0.122 4.677 4.640 0.265 0.000 0.200 446 D C 1.745 178.018 176.300 -0.045 0.000 0.992 446 D CA 1.710 55.704 54.000 -0.011 0.000 0.854 446 D CB -0.159 40.629 40.800 -0.021 0.000 0.936 446 D HN 0.636 nan 8.370 nan 0.000 0.462 447 Q N 0.264 119.999 119.800 -0.108 0.000 2.084 447 Q HA -0.170 4.329 4.340 0.265 0.000 0.202 447 Q C 2.022 177.918 176.000 -0.173 0.000 0.978 447 Q CA 1.561 57.185 55.803 -0.298 0.000 0.844 447 Q CB -0.364 27.984 28.738 -0.649 0.000 0.898 447 Q HN 0.471 nan 8.270 nan 0.000 0.426 448 E N 0.717 120.929 120.200 0.019 0.000 2.077 448 E HA -0.229 4.280 4.350 0.265 0.000 0.193 448 E C 1.883 178.576 176.600 0.156 0.000 0.989 448 E CA 1.366 57.865 56.400 0.165 0.000 0.800 448 E CB -0.136 29.676 29.700 0.188 0.000 0.746 448 E HN 0.125 nan 8.360 nan 0.000 0.452 449 R N 0.113 120.664 120.500 0.084 0.000 2.090 449 R HA 0.053 4.552 4.340 0.265 0.000 0.228 449 R C 2.381 178.749 176.300 0.113 0.000 1.110 449 R CA 1.800 57.943 56.100 0.071 0.000 0.973 449 R CB -0.223 30.089 30.300 0.020 0.000 0.869 449 R HN 0.383 nan 8.270 nan 0.000 0.440 450 Q N -0.944 118.886 119.800 0.050 0.000 2.119 450 Q HA -0.092 4.407 4.340 0.265 0.000 0.201 450 Q C 1.852 177.888 176.000 0.060 0.000 0.972 450 Q CA 1.551 57.371 55.803 0.028 0.000 0.847 450 Q CB 0.182 28.892 28.738 -0.047 0.000 0.903 450 Q HN 0.172 nan 8.270 nan 0.000 0.433 451 V N 0.133 120.105 119.914 0.096 0.000 2.488 451 V HA -0.195 4.083 4.120 0.265 0.000 0.246 451 V C 1.764 177.968 176.094 0.184 0.000 1.046 451 V CA 1.301 63.684 62.300 0.139 0.000 1.053 451 V CB -0.537 31.439 31.823 0.255 0.000 0.679 451 V HN 0.322 nan 8.190 nan 0.000 0.458 452 F N 1.047 121.094 119.950 0.162 0.000 2.069 452 F HA -0.299 4.387 4.527 0.265 0.000 0.298 452 F C 2.610 178.445 175.800 0.058 0.000 1.113 452 F CA 2.504 60.622 58.000 0.195 0.000 1.214 452 F CB -0.237 38.860 39.000 0.162 0.000 0.978 452 F HN 0.088 nan 8.300 nan 0.000 0.474 453 Q N 0.399 120.367 119.800 0.280 0.000 2.170 453 Q HA -0.260 4.239 4.340 0.265 0.000 0.203 453 Q C 2.367 178.353 176.000 -0.023 0.000 0.976 453 Q CA 1.806 57.685 55.803 0.127 0.000 0.858 453 Q CB -0.240 28.585 28.738 0.145 0.000 0.907 453 Q HN 0.493 nan 8.270 nan 0.000 0.433 454 K N -0.283 120.098 120.400 -0.031 0.000 2.026 454 K HA -0.177 4.302 4.320 0.265 0.000 0.208 454 K C 1.893 178.393 176.600 -0.167 0.000 1.048 454 K CA 1.325 57.566 56.287 -0.077 0.000 0.929 454 K CB -0.221 32.245 32.500 -0.057 0.000 0.713 454 K HN 0.217 nan 8.250 nan 0.000 0.439 455 A N 1.423 124.070 122.820 -0.287 0.000 1.898 455 A HA -0.127 4.351 4.320 0.265 0.000 0.216 455 A C 2.070 179.440 177.584 -0.357 0.000 1.181 455 A CA 1.243 53.014 52.037 -0.443 0.000 0.620 455 A CB -0.652 17.814 19.000 -0.890 0.000 0.819 455 A HN 0.400 nan 8.150 nan 0.000 0.442 456 L N 0.424 121.422 121.223 -0.374 0.000 2.042 456 L HA -0.087 4.412 4.340 0.265 0.000 0.210 456 L C 2.379 179.153 176.870 -0.160 0.000 1.076 456 L CA 2.333 57.001 54.840 -0.286 0.000 0.749 456 L CB -1.166 40.738 42.059 -0.258 0.000 0.893 456 L HN 0.319 nan 8.230 nan 0.000 0.432 457 G N -0.761 107.961 108.800 -0.130 0.000 2.440 457 G HA2 -0.304 3.815 3.960 0.265 0.000 0.218 457 G HA3 -0.304 3.815 3.960 0.265 0.000 0.218 457 G C 1.659 176.504 174.900 -0.091 0.000 1.154 457 G CA 0.981 46.029 45.100 -0.086 0.000 0.767 457 G HN 0.471 nan 8.290 nan 0.000 0.552 458 K N -0.182 120.145 120.400 -0.122 0.000 2.211 458 K HA 0.168 4.647 4.320 0.265 0.000 0.203 458 K C 2.027 178.567 176.600 -0.100 0.000 1.050 458 K CA 0.397 56.617 56.287 -0.112 0.000 0.945 458 K CB -0.099 32.317 32.500 -0.139 0.000 0.732 458 K HN 0.285 nan 8.250 nan 0.000 0.451 459 L N 0.168 121.326 121.223 -0.109 0.000 2.592 459 L HA 0.088 4.587 4.340 0.265 0.000 0.227 459 L C 0.150 176.983 176.870 -0.061 0.000 1.127 459 L CA 0.189 54.978 54.840 -0.085 0.000 0.884 459 L CB 0.142 42.144 42.059 -0.094 0.000 1.065 459 L HN -0.022 nan 8.230 nan 0.000 0.457 481 S N 0.349 116.054 115.700 0.007 0.000 2.357 481 S HA 0.041 4.670 4.470 0.265 0.000 0.221 481 S C 1.032 175.636 174.600 0.007 0.000 1.031 481 S CA 0.693 58.897 58.200 0.006 0.000 0.982 481 S CB -0.043 63.161 63.200 0.007 0.000 0.853 481 S HN 0.410 nan 8.310 nan 0.000 0.458 482 I N 1.918 122.493 120.570 0.008 0.000 2.440 482 I HA 0.371 4.700 4.170 0.265 0.000 0.294 482 I C -0.101 176.020 176.117 0.007 0.000 0.995 482 I CA -0.781 60.524 61.300 0.008 0.000 1.306 482 I CB 0.987 38.993 38.000 0.010 0.000 1.407 482 I HN 0.190 nan 8.210 nan 0.000 0.501 483 I N 1.576 122.151 120.570 0.008 0.000 2.569 483 I HA 1.005 5.334 4.170 0.265 0.000 0.296 483 I C -0.110 176.013 176.117 0.011 0.000 1.028 483 I CA -0.445 60.859 61.300 0.007 0.000 1.082 483 I CB 2.096 40.100 38.000 0.006 0.000 1.264 483 I HN 0.578 nan 8.210 nan 0.000 0.429 484 G N 3.556 112.362 108.800 0.010 0.000 2.696 484 G HA2 0.613 4.732 3.960 0.265 0.000 0.295 484 G HA3 0.613 4.732 3.960 0.265 0.000 0.295 484 G C -2.035 172.875 174.900 0.016 0.000 1.398 484 G CA -0.827 44.283 45.100 0.017 0.000 0.920 484 G HN 0.818 nan 8.290 nan 0.000 0.492 485 K N 1.124 121.538 120.400 0.023 0.000 2.525 485 K HA 0.510 4.989 4.320 0.265 0.000 0.254 485 K C -1.327 175.290 176.600 0.028 0.000 0.934 485 K CA -0.764 55.536 56.287 0.022 0.000 0.802 485 K CB 2.121 34.632 32.500 0.018 0.000 1.295 485 K HN 0.378 nan 8.250 nan 0.000 0.433 486 L N 3.724 124.965 121.223 0.028 0.000 2.275 486 L HA 0.419 4.918 4.340 0.265 0.000 0.288 486 L C -0.035 176.845 176.870 0.016 0.000 1.046 486 L CA -0.406 54.451 54.840 0.028 0.000 0.805 486 L CB 1.192 43.271 42.059 0.033 0.000 1.193 486 L HN 0.431 nan 8.230 nan 0.000 0.426 487 K N 3.318 123.723 120.400 0.008 0.000 2.244 487 K HA 0.437 4.916 4.320 0.265 0.000 0.260 487 K C -1.070 175.523 176.600 -0.011 0.000 0.951 487 K CA -0.628 55.659 56.287 0.001 0.000 0.826 487 K CB 1.920 34.421 32.500 0.002 0.000 1.108 487 K HN 0.291 nan 8.250 nan 0.000 0.433 488 V N 2.749 122.657 119.914 -0.010 0.000 2.614 488 V HA 0.296 4.575 4.120 0.265 0.000 0.291 488 V C 0.165 176.248 176.094 -0.018 0.000 1.049 488 V CA -0.376 61.913 62.300 -0.018 0.000 1.038 488 V CB 1.093 32.909 31.823 -0.012 0.000 0.980 488 V HN 0.851 nan 8.190 nan 0.000 0.481 489 A N 4.191 126.997 122.820 -0.023 0.000 2.319 489 A HA 0.840 5.319 4.320 0.265 0.000 0.310 489 A C 0.411 177.986 177.584 -0.015 0.000 1.152 489 A CA 0.147 52.173 52.037 -0.019 0.000 0.783 489 A CB 0.693 19.679 19.000 -0.023 0.000 1.184 489 A HN 2.012 nan 8.150 nan 0.000 0.474 490 G N 1.457 110.250 108.800 -0.011 0.000 2.860 490 G HA2 -0.002 4.116 3.960 0.265 0.000 0.553 490 G HA3 -0.002 4.116 3.960 0.265 0.000 0.553 490 G C -0.113 174.784 174.900 -0.005 0.000 1.439 490 G CA -0.111 44.985 45.100 -0.007 0.000 0.879 490 G HN 1.089 nan 8.290 nan 0.000 0.545 491 M N -0.300 119.299 119.600 -0.001 0.000 2.245 491 M HA 0.491 5.130 4.480 0.265 0.000 0.330 491 M C 0.594 176.902 176.300 0.012 0.000 1.098 491 M CA 0.406 55.708 55.300 0.002 0.000 1.172 491 M CB 0.437 33.037 32.600 0.001 0.000 1.467 491 M HN 0.361 nan 8.290 nan 0.000 0.454 492 L N 2.277 123.508 121.223 0.014 0.000 2.319 492 L HA 0.828 5.327 4.340 0.265 0.000 0.281 492 L C -0.563 176.332 176.870 0.042 0.000 1.005 492 L CA -0.584 54.268 54.840 0.021 0.000 0.828 492 L CB 1.238 43.297 42.059 0.000 0.000 1.227 492 L HN 0.866 nan 8.230 nan 0.000 0.415 493 A N 2.876 125.743 122.820 0.079 0.000 2.517 493 A HA 0.621 5.100 4.320 0.265 0.000 0.297 493 A C -0.702 177.012 177.584 0.216 0.000 1.050 493 A CA -0.571 51.535 52.037 0.115 0.000 0.694 493 A CB 1.625 20.672 19.000 0.078 0.000 1.277 493 A HN 0.286 nan 8.150 nan 0.000 0.400 494 V N 2.301 122.390 119.914 0.293 0.000 2.452 494 V HA 0.392 4.671 4.120 0.265 0.000 0.286 494 V C 1.508 177.877 176.094 0.459 0.000 0.995 494 V CA 2.045 64.640 62.300 0.492 0.000 1.116 494 V CB -0.287 31.907 31.823 0.618 0.000 0.954 494 V HN 2.162 nan 8.190 nan 0.000 0.473 495 G N 4.419 113.438 108.800 0.364 0.000 2.428 495 G HA2 -0.147 3.972 3.960 0.265 0.000 0.199 495 G HA3 -0.147 3.972 3.960 0.265 0.000 0.199 495 G C 0.237 175.064 174.900 -0.121 0.000 1.005 495 G CA -0.221 44.754 45.100 -0.208 0.000 0.671 495 G HN 0.569 nan 8.290 nan 0.000 0.485 496 K N 1.116 121.597 120.400 0.136 0.000 2.177 496 K HA 0.555 5.034 4.320 0.265 0.000 0.238 496 K C 0.334 177.087 176.600 0.255 0.000 1.015 496 K CA -0.340 56.022 56.287 0.125 0.000 0.922 496 K CB 1.056 33.616 32.500 0.099 0.000 1.127 496 K HN 0.514 nan 8.250 nan 0.000 0.469 497 E N -0.058 120.251 120.200 0.180 0.000 2.319 497 E HA 0.249 4.758 4.350 0.265 0.000 0.268 497 E C -0.937 175.772 176.600 0.182 0.000 1.050 497 E CA -0.838 55.692 56.400 0.217 0.000 0.878 497 E CB 1.156 30.925 29.700 0.115 0.000 1.066 497 E HN 0.032 nan 8.360 nan 0.000 0.406 498 V N 3.060 123.085 119.914 0.186 0.000 2.439 498 V HA 0.231 4.510 4.120 0.265 0.000 0.282 498 V C -0.325 175.752 176.094 -0.029 0.000 1.039 498 V CA -0.744 61.586 62.300 0.049 0.000 0.913 498 V CB 0.951 32.767 31.823 -0.012 0.000 0.983 498 V HN 0.685 nan 8.190 nan 0.000 0.460 499 N N 5.364 124.038 118.700 -0.044 0.000 2.399 499 N HA 0.657 5.556 4.740 0.265 0.000 0.284 499 N C -1.088 174.372 175.510 -0.083 0.000 1.025 499 N CA -0.340 52.666 53.050 -0.073 0.000 0.885 499 N CB 2.573 41.036 38.487 -0.041 0.000 1.339 499 N HN 0.461 nan 8.380 nan 0.000 0.487 500 L N 0.798 121.947 121.223 -0.124 0.000 2.257 500 L HA 0.725 5.224 4.340 0.265 0.000 0.257 500 L C -0.551 176.267 176.870 -0.086 0.000 1.033 500 L CA -1.043 53.737 54.840 -0.099 0.000 0.835 500 L CB 2.202 44.187 42.059 -0.123 0.000 1.398 500 L HN 0.068 nan 8.230 nan 0.000 0.429 501 V N 1.897 121.784 119.914 -0.044 0.000 2.577 501 V HA 0.243 4.522 4.120 0.265 0.000 0.294 501 V C -0.788 175.320 176.094 0.023 0.000 1.052 501 V CA -0.436 61.854 62.300 -0.017 0.000 0.891 501 V CB 1.779 33.596 31.823 -0.010 0.000 1.017 501 V HN 0.442 nan 8.190 nan 0.000 0.436 502 L N 6.741 128.003 121.223 0.065 0.000 2.361 502 L HA 0.491 4.990 4.340 0.265 0.000 0.278 502 L C -0.577 176.344 176.870 0.085 0.000 1.113 502 L CA 0.516 55.414 54.840 0.096 0.000 0.849 502 L CB 0.354 42.517 42.059 0.173 0.000 1.155 502 L HN 0.559 nan 8.230 nan 0.000 0.452 503 L N 6.955 128.213 121.223 0.057 0.000 2.287 503 L HA 0.519 5.018 4.340 0.265 0.000 0.287 503 L C -0.496 176.399 176.870 0.042 0.000 1.022 503 L CA -0.351 54.517 54.840 0.047 0.000 0.814 503 L CB 1.165 43.242 42.059 0.031 0.000 1.217 503 L HN 0.562 nan 8.230 nan 0.000 0.420 504 L N 3.601 124.849 121.223 0.042 0.000 2.341 504 L HA 0.687 5.186 4.340 0.265 0.000 0.267 504 L C -0.503 176.382 176.870 0.025 0.000 1.009 504 L CA -0.828 54.031 54.840 0.032 0.000 0.819 504 L CB 2.480 44.559 42.059 0.033 0.000 1.323 504 L HN 0.523 nan 8.230 nan 0.000 0.425 505 K N 1.319 121.731 120.400 0.019 0.000 2.543 505 K HA 0.252 4.731 4.320 0.265 0.000 0.255 505 K C -1.486 175.121 176.600 0.012 0.000 0.934 505 K CA -0.582 55.714 56.287 0.015 0.000 0.810 505 K CB 2.245 34.752 32.500 0.013 0.000 1.315 505 K HN 0.671 nan 8.250 nan 0.000 0.433 506 N N 4.936 123.642 118.700 0.011 0.000 2.462 506 N HA 0.135 5.034 4.740 0.265 0.000 0.242 506 N C -0.081 175.433 175.510 0.007 0.000 1.010 506 N CA -0.385 52.670 53.050 0.009 0.000 0.939 506 N CB 0.599 39.091 38.487 0.008 0.000 1.127 506 N HN 0.375 nan 8.380 nan 0.000 0.509 507 L N 2.477 123.703 121.223 0.006 0.000 2.611 507 L HA 0.113 4.612 4.340 0.265 0.000 0.229 507 L C 0.710 177.582 176.870 0.004 0.000 1.137 507 L CA 0.363 55.205 54.840 0.004 0.000 0.901 507 L CB -0.936 41.125 42.059 0.004 0.000 1.098 507 L HN 0.486 nan 8.230 nan 0.000 0.456 508 S N -0.943 114.759 115.700 0.004 0.000 2.654 508 S HA 0.340 4.969 4.470 0.265 0.000 0.283 508 S C 1.234 175.836 174.600 0.003 0.000 1.180 508 S CA -0.810 57.392 58.200 0.003 0.000 1.021 508 S CB 1.159 64.361 63.200 0.003 0.000 1.018 508 S HN 0.402 nan 8.310 nan 0.000 0.532 509 R N 0.077 120.578 120.500 0.002 0.000 2.339 509 R HA 0.136 4.635 4.340 0.265 0.000 0.199 509 R C -0.922 175.380 176.300 0.002 0.000 1.018 509 R CA 0.261 56.363 56.100 0.002 0.000 1.036 509 R CB -0.466 29.835 30.300 0.002 0.000 0.899 509 R HN 0.485 nan 8.270 nan 0.000 0.473 510 D N 1.085 121.487 120.400 0.003 0.000 2.269 510 D HA 0.235 5.034 4.640 0.265 0.000 0.244 510 D C -0.803 175.499 176.300 0.003 0.000 0.992 510 D CA -0.447 53.555 54.000 0.003 0.000 0.894 510 D CB 2.164 42.965 40.800 0.002 0.000 1.248 510 D HN -0.114 nan 8.370 nan 0.000 0.468 511 T N 2.938 117.494 114.554 0.003 0.000 2.780 511 T HA 0.315 4.824 4.350 0.265 0.000 0.294 511 T C 0.182 174.884 174.700 0.004 0.000 0.949 511 T CA -0.568 61.535 62.100 0.004 0.000 1.074 511 T CB 0.642 69.512 68.868 0.004 0.000 0.910 511 T HN 0.047 nan 8.240 nan 0.000 0.501 512 K N 2.233 122.635 120.400 0.004 0.000 2.350 512 K HA 0.600 5.079 4.320 0.265 0.000 0.241 512 K C -0.478 176.125 176.600 0.004 0.000 0.994 512 K CA -0.909 55.381 56.287 0.004 0.000 0.839 512 K CB 1.594 34.097 32.500 0.005 0.000 1.244 512 K HN 0.367 nan 8.250 nan 0.000 0.443 513 T N 0.724 115.279 114.554 0.003 0.000 2.772 513 T HA 0.311 4.820 4.350 0.265 0.000 0.288 513 T C -0.740 173.961 174.700 0.002 0.000 0.994 513 T CA -0.645 61.456 62.100 0.002 0.000 0.951 513 T CB 1.111 69.979 68.868 0.001 0.000 0.933 513 T HN 0.336 nan 8.240 nan 0.000 0.447 514 V N 3.957 123.871 119.914 0.000 0.000 2.555 514 V HA 0.675 4.954 4.120 0.265 0.000 0.302 514 V C -0.384 175.706 176.094 -0.007 0.000 1.038 514 V CA -0.260 62.040 62.300 0.000 0.000 0.887 514 V CB 2.007 33.832 31.823 0.003 0.000 0.991 514 V HN 0.902 nan 8.190 nan 0.000 0.434 515 T N 6.212 120.764 114.554 -0.003 0.000 2.767 515 T HA 0.583 5.092 4.350 0.265 0.000 0.284 515 T C -0.586 174.108 174.700 -0.009 0.000 0.973 515 T CA -0.247 61.848 62.100 -0.009 0.000 0.996 515 T CB 1.283 70.151 68.868 0.001 0.000 0.927 515 T HN 0.583 nan 8.240 nan 0.000 0.456 516 V N 4.959 124.855 119.914 -0.030 0.000 2.350 516 V HA 0.372 4.651 4.120 0.265 0.000 0.285 516 V C -0.071 176.014 176.094 -0.015 0.000 1.014 516 V CA -1.004 61.283 62.300 -0.021 0.000 0.831 516 V CB 1.122 32.921 31.823 -0.041 0.000 1.000 516 V HN 0.846 nan 8.190 nan 0.000 0.433 517 N N 5.723 124.431 118.700 0.013 0.000 2.425 517 N HA 0.717 5.616 4.740 0.265 0.000 0.268 517 N C -0.844 174.703 175.510 0.061 0.000 0.991 517 N CA -0.533 52.529 53.050 0.019 0.000 0.931 517 N CB 1.542 40.046 38.487 0.028 0.000 1.130 517 N HN 0.539 nan 8.380 nan 0.000 0.493 518 M N 1.078 120.715 119.600 0.061 0.000 2.535 518 M HA 0.462 5.101 4.480 0.265 0.000 0.314 518 M C -0.257 176.121 176.300 0.130 0.000 1.153 518 M CA -0.691 54.725 55.300 0.194 0.000 0.924 518 M CB 2.373 35.231 32.600 0.430 0.000 1.710 518 M HN 0.476 nan 8.290 nan 0.000 0.451 519 T N -0.845 113.927 114.554 0.363 0.000 2.868 519 T HA 0.924 5.433 4.350 0.265 0.000 0.306 519 T C -1.538 173.521 174.700 0.599 0.000 1.224 519 T CA -0.940 61.398 62.100 0.396 0.000 1.012 519 T CB 2.016 71.143 68.868 0.431 0.000 1.221 519 T HN 0.881 nan 8.240 nan 0.000 0.499 520 A N 1.116 124.265 122.820 0.548 0.000 2.385 520 A HA 0.679 5.158 4.320 0.265 0.000 0.290 520 A C -1.830 175.945 177.584 0.319 0.000 1.094 520 A CA -0.885 51.425 52.037 0.453 0.000 0.729 520 A CB 0.650 19.899 19.000 0.415 0.000 1.194 520 A HN 0.721 nan 8.150 nan 0.000 0.442 521 W N 1.449 122.854 121.300 0.174 0.000 2.702 521 W HA 0.562 5.381 4.660 0.264 0.000 0.331 521 W C 0.607 177.204 176.519 0.130 0.000 1.049 521 W CA -0.148 57.278 57.345 0.134 0.000 1.230 521 W CB 2.060 31.577 29.460 0.094 0.000 1.408 521 W HN 0.764 nan 8.180 nan 0.000 0.492 522 T N 1.574 116.340 114.554 0.352 0.000 2.907 522 T HA 0.692 5.201 4.350 0.265 0.000 0.298 522 T C -0.199 174.671 174.700 0.283 0.000 1.017 522 T CA -0.398 61.868 62.100 0.277 0.000 1.118 522 T CB 0.712 69.736 68.868 0.261 0.000 0.948 522 T HN 0.438 nan 8.240 nan 0.000 0.531 523 I N -0.852 119.851 120.570 0.221 0.000 3.174 523 I HA 0.675 5.004 4.170 0.265 0.000 0.313 523 I C -1.153 175.068 176.117 0.174 0.000 1.155 523 I CA -1.877 59.528 61.300 0.176 0.000 0.977 523 I CB 1.897 39.977 38.000 0.133 0.000 1.248 523 I HN 0.389 nan 8.210 nan 0.000 0.453 524 I N 2.481 123.125 120.570 0.122 0.000 2.488 524 I HA 0.150 4.479 4.170 0.265 0.000 0.299 524 I C 0.931 177.092 176.117 0.073 0.000 0.984 524 I CA -0.453 60.945 61.300 0.163 0.000 1.250 524 I CB 1.190 39.261 38.000 0.119 0.000 1.389 524 I HN 0.944 nan 8.210 nan 0.000 0.488 525 Y N 4.825 125.176 120.300 0.086 0.000 2.283 525 Y HA -0.291 4.418 4.550 0.266 0.000 0.285 525 Y C 1.763 177.547 175.900 -0.193 0.000 1.176 525 Y CA 1.757 59.866 58.100 0.015 0.000 1.229 525 Y CB -0.753 37.727 38.460 0.032 0.000 0.975 525 Y HN 0.707 nan 8.280 nan 0.000 0.537 526 N N 0.587 118.525 118.700 -1.269 0.000 2.550 526 N HA 0.032 4.931 4.740 0.265 0.000 0.186 526 N C 1.567 176.542 175.510 -0.892 0.000 1.110 526 N CA 1.214 53.221 53.050 -1.738 0.000 0.912 526 N CB 0.020 36.981 38.487 -2.543 0.000 0.968 526 N HN 0.707 nan 8.380 nan 0.000 0.448 527 G N -0.930 107.609 108.800 -0.435 0.000 2.238 527 G HA2 -0.240 3.879 3.960 0.265 0.000 0.217 527 G HA3 -0.240 3.879 3.960 0.265 0.000 0.217 527 G C 0.054 174.845 174.900 -0.182 0.000 0.996 527 G CA 0.114 45.083 45.100 -0.218 0.000 0.632 527 G HN 0.414 nan 8.290 nan 0.000 0.503 528 T N 2.964 117.383 114.554 -0.225 0.000 2.750 528 T HA 0.328 4.837 4.350 0.265 0.000 0.277 528 T C 0.950 175.621 174.700 -0.047 0.000 0.996 528 T CA 0.384 62.406 62.100 -0.130 0.000 1.195 528 T CB 0.217 69.031 68.868 -0.090 0.000 0.963 528 T HN 0.385 nan 8.240 nan 0.000 0.516 529 L N 4.387 125.569 121.223 -0.067 0.000 2.380 529 L HA 0.177 4.676 4.340 0.265 0.000 0.273 529 L C 1.387 178.343 176.870 0.144 0.000 1.138 529 L CA -0.460 54.376 54.840 -0.006 0.000 0.832 529 L CB 0.668 42.562 42.059 -0.274 0.000 1.124 529 L HN 0.477 nan 8.230 nan 0.000 0.454 530 V N 1.342 121.436 119.914 0.300 0.000 2.602 530 V HA 0.173 4.452 4.120 0.265 0.000 0.235 530 V C 0.170 176.500 176.094 0.393 0.000 1.087 530 V CA 0.474 62.954 62.300 0.300 0.000 1.117 530 V CB 0.089 32.068 31.823 0.261 0.000 0.820 530 V HN 0.749 nan 8.190 nan 0.000 0.490 531 H N -0.158 119.055 119.070 0.239 0.000 3.094 531 H HA 0.268 4.982 4.556 0.265 0.000 0.346 531 H C -1.282 173.656 175.328 -0.649 0.000 1.238 531 H CA -0.548 55.343 56.048 -0.262 0.000 1.209 531 H CB 2.061 31.477 29.762 -0.577 0.000 1.911 531 H HN 0.378 nan 8.280 nan 0.000 0.540 532 E N 2.531 121.921 120.200 -1.349 0.000 2.316 532 E HA 0.246 4.755 4.350 0.265 0.000 0.275 532 E C 0.183 176.560 176.600 -0.372 0.000 1.029 532 E CA -0.187 55.460 56.400 -1.254 0.000 0.871 532 E CB 0.788 29.640 29.700 -1.413 0.000 1.022 532 E HN 0.416 nan 8.360 nan 0.000 0.418 533 V N 1.893 121.730 119.914 -0.128 0.000 3.477 533 V HA 0.415 4.694 4.120 0.265 0.000 0.297 533 V C -0.194 176.047 176.094 0.245 0.000 1.433 533 V CA -0.552 61.813 62.300 0.109 0.000 1.052 533 V CB -0.663 31.296 31.823 0.226 0.000 0.895 533 V HN 0.684 nan 8.190 nan 0.000 0.438 534 W N 1.762 123.035 121.300 -0.045 0.000 3.298 534 W HA 0.611 5.430 4.660 0.265 0.000 0.302 534 W C -1.978 174.544 176.519 0.006 0.000 1.255 534 W CA -0.646 56.703 57.345 0.007 0.000 1.196 534 W CB 1.255 30.750 29.460 0.059 0.000 1.364 534 W HN 0.193 nan 8.180 nan 0.000 0.566 535 K N 3.488 123.252 120.400 -1.061 0.000 2.587 535 K HA 0.694 5.173 4.320 0.265 0.000 0.276 535 K C -2.176 173.683 176.600 -1.235 0.000 0.956 535 K CA -0.820 54.837 56.287 -1.049 0.000 0.857 535 K CB 2.452 34.705 32.500 -0.412 0.000 1.431 535 K HN 0.346 nan 8.250 nan 0.000 0.420 536 D N -0.088 119.767 120.400 -0.909 0.000 2.653 536 D HA 0.492 5.291 4.640 0.265 0.000 0.258 536 D C -1.515 174.660 176.300 -0.207 0.000 1.252 536 D CA -0.189 53.537 54.000 -0.456 0.000 0.777 536 D CB 2.662 43.292 40.800 -0.283 0.000 1.339 536 D HN 0.559 nan 8.370 nan 0.000 0.422 537 S N -0.489 115.150 115.700 -0.102 0.000 2.671 537 S HA 1.021 5.650 4.470 0.265 0.000 0.299 537 S C -1.429 173.116 174.600 -0.091 0.000 1.116 537 S CA -0.333 57.821 58.200 -0.077 0.000 0.912 537 S CB 1.841 65.005 63.200 -0.061 0.000 1.130 537 S HN 0.798 nan 8.310 nan 0.000 0.501 538 A N 1.426 124.178 122.820 -0.112 0.000 2.521 538 A HA 0.581 5.060 4.320 0.265 0.000 0.298 538 A C -0.815 176.710 177.584 -0.098 0.000 1.044 538 A CA -0.552 51.397 52.037 -0.147 0.000 0.911 538 A CB 0.838 19.615 19.000 -0.371 0.000 1.376 538 A HN 0.504 nan 8.150 nan 0.000 0.392 539 T N 3.906 118.426 114.554 -0.058 0.000 2.824 539 T HA 0.801 5.310 4.350 0.265 0.000 0.280 539 T C -0.009 174.675 174.700 -0.028 0.000 0.995 539 T CA -0.077 62.002 62.100 -0.035 0.000 1.009 539 T CB 0.843 69.699 68.868 -0.019 0.000 0.955 539 T HN 1.133 nan 8.240 nan 0.000 0.452 540 M N 0.441 120.029 119.600 -0.019 0.000 2.682 540 M HA 0.671 5.310 4.480 0.265 0.000 0.272 540 M C -1.243 175.056 176.300 -0.002 0.000 1.232 540 M CA -0.969 54.326 55.300 -0.009 0.000 0.849 540 M CB 2.094 34.689 32.600 -0.009 0.000 1.695 540 M HN 0.430 nan 8.290 nan 0.000 0.481 541 S N 1.805 117.507 115.700 0.003 0.000 2.433 541 S HA 0.769 5.398 4.470 0.265 0.000 0.310 541 S C -1.203 173.402 174.600 0.008 0.000 1.097 541 S CA -0.686 57.517 58.200 0.005 0.000 1.103 541 S CB 0.603 63.806 63.200 0.005 0.000 0.992 541 S HN 0.668 nan 8.310 nan 0.000 0.469 542 L N 4.104 125.332 121.223 0.008 0.000 2.346 542 L HA 0.563 5.062 4.340 0.265 0.000 0.276 542 L C -0.271 176.604 176.870 0.008 0.000 1.006 542 L CA -1.054 53.791 54.840 0.010 0.000 0.817 542 L CB 1.753 43.818 42.059 0.011 0.000 1.272 542 L HN 0.579 nan 8.230 nan 0.000 0.421 543 D N 2.619 123.025 120.400 0.009 0.000 2.387 543 D HA 0.254 5.053 4.640 0.265 0.000 0.251 543 D C -2.368 173.936 176.300 0.007 0.000 1.141 543 D CA -1.453 52.551 54.000 0.007 0.000 0.987 543 D CB 0.753 41.558 40.800 0.007 0.000 1.116 543 D HN 0.179 nan 8.370 nan 0.000 0.491 544 P HA 0.024 nan 4.420 nan 0.000 0.260 544 P C -0.006 177.297 177.300 0.006 0.000 1.207 544 P CA 0.872 63.975 63.100 0.005 0.000 0.780 544 P CB 0.371 32.074 31.700 0.004 0.000 0.789 545 E N 0.262 120.466 120.200 0.006 0.000 4.129 545 E HA -0.223 4.286 4.350 0.265 0.000 0.354 545 E C 0.128 176.733 176.600 0.008 0.000 0.673 545 E CA 0.945 57.349 56.400 0.007 0.000 1.347 545 E CB -1.661 28.043 29.700 0.006 0.000 1.722 545 E HN 0.638 nan 8.360 nan 0.000 0.410 546 E N 0.983 121.188 120.200 0.009 0.000 2.360 546 E HA 0.129 4.638 4.350 0.265 0.000 0.269 546 E C -0.476 176.132 176.600 0.014 0.000 1.022 546 E CA 0.156 56.563 56.400 0.011 0.000 0.887 546 E CB 0.492 30.200 29.700 0.012 0.000 0.990 546 E HN 0.153 nan 8.360 nan 0.000 0.426 547 E N 1.534 121.743 120.200 0.016 0.000 2.191 547 E HA 0.621 5.130 4.350 0.265 0.000 0.274 547 E C -1.180 175.434 176.600 0.024 0.000 0.948 547 E CA -0.878 55.534 56.400 0.019 0.000 0.802 547 E CB 1.926 31.636 29.700 0.017 0.000 1.137 547 E HN 0.502 nan 8.360 nan 0.000 0.397 548 A N 2.618 125.457 122.820 0.031 0.000 2.520 548 A HA 0.455 4.934 4.320 0.265 0.000 0.298 548 A C -1.378 176.240 177.584 0.057 0.000 1.051 548 A CA -0.913 51.149 52.037 0.042 0.000 0.690 548 A CB 1.294 20.319 19.000 0.041 0.000 1.281 548 A HN 0.693 nan 8.150 nan 0.000 0.402 549 E N 1.239 121.481 120.200 0.069 0.000 2.222 549 E HA 0.560 5.069 4.350 0.265 0.000 0.267 549 E C -1.262 175.422 176.600 0.140 0.000 0.884 549 E CA -0.763 55.690 56.400 0.088 0.000 0.764 549 E CB 1.876 31.609 29.700 0.054 0.000 1.169 549 E HN 0.677 nan 8.360 nan 0.000 0.413 550 H N 3.355 122.453 119.070 0.047 0.000 2.481 550 H HA 0.347 5.062 4.556 0.265 0.000 0.333 550 H C -2.432 172.933 175.328 0.063 0.000 1.066 550 H CA -2.218 53.869 56.048 0.065 0.000 1.209 550 H CB 1.618 31.433 29.762 0.088 0.000 1.445 550 H HN 0.365 nan 8.280 nan 0.000 0.488 551 P HA 0.197 nan 4.420 nan 0.000 0.287 551 P C -0.648 176.437 177.300 -0.359 0.000 1.281 551 P CA -0.148 62.795 63.100 -0.260 0.000 0.781 551 P CB 1.411 33.020 31.700 -0.151 0.000 0.903 552 I N 3.689 124.104 120.570 -0.259 0.000 2.354 552 I HA 0.386 4.715 4.170 0.265 0.000 0.292 552 I C 0.589 176.490 176.117 -0.360 0.000 0.989 552 I CA -0.520 60.556 61.300 -0.373 0.000 1.188 552 I CB 1.679 39.367 38.000 -0.520 0.000 1.342 552 I HN 0.234 nan 8.210 nan 0.000 0.457 553 K N 8.029 128.217 120.400 -0.353 0.000 2.507 553 K HA 0.631 5.110 4.320 0.265 0.000 0.252 553 K C -1.667 174.793 176.600 -0.233 0.000 0.943 553 K CA -0.499 55.661 56.287 -0.212 0.000 0.808 553 K CB 1.671 34.135 32.500 -0.060 0.000 1.142 553 K HN 0.574 nan 8.250 nan 0.000 0.426 554 I N 3.589 124.065 120.570 -0.158 0.000 2.439 554 I HA 0.143 4.472 4.170 0.265 0.000 0.285 554 I C 0.288 176.493 176.117 0.146 0.000 1.021 554 I CA -0.803 60.495 61.300 -0.005 0.000 1.091 554 I CB 1.956 39.959 38.000 0.005 0.000 1.242 554 I HN 0.666 nan 8.210 nan 0.000 0.439 555 S N 5.097 120.866 115.700 0.115 0.000 2.624 555 S HA 0.117 4.746 4.470 0.265 0.000 0.263 555 S C 1.035 175.576 174.600 -0.098 0.000 1.287 555 S CA -0.094 58.148 58.200 0.070 0.000 0.990 555 S CB 0.908 64.134 63.200 0.042 0.000 0.950 555 S HN 0.627 nan 8.310 nan 0.000 0.561 556 Y N 2.211 122.310 120.300 -0.335 0.000 2.114 556 Y HA -0.044 4.665 4.550 0.264 0.000 0.284 556 Y C 2.553 178.062 175.900 -0.652 0.000 1.143 556 Y CA 2.137 59.751 58.100 -0.810 0.000 1.135 556 Y CB -1.269 36.974 38.460 -0.362 0.000 0.980 556 Y HN 0.841 nan 8.280 nan 0.000 0.499 557 A N 0.593 123.207 122.820 -0.343 0.000 1.940 557 A HA -0.366 4.113 4.320 0.265 0.000 0.221 557 A C 2.079 179.471 177.584 -0.319 0.000 1.190 557 A CA 2.520 54.364 52.037 -0.322 0.000 0.647 557 A CB -0.901 18.037 19.000 -0.104 0.000 0.821 557 A HN 0.761 nan 8.150 nan 0.000 0.457 558 Q N -1.729 117.945 119.800 -0.210 0.000 1.994 558 Q HA -0.163 4.336 4.340 0.265 0.000 0.198 558 Q C 2.165 178.155 176.000 -0.018 0.000 0.976 558 Q CA 1.784 57.554 55.803 -0.054 0.000 0.828 558 Q CB -0.483 28.304 28.738 0.083 0.000 0.894 558 Q HN 1.013 nan 8.270 nan 0.000 0.432 559 Y N 1.601 121.893 120.300 -0.013 0.000 2.395 559 Y HA 0.004 4.713 4.550 0.265 0.000 0.293 559 Y C 1.907 177.751 175.900 -0.094 0.000 1.123 559 Y CA 1.006 59.115 58.100 0.014 0.000 1.227 559 Y CB -0.666 37.828 38.460 0.057 0.000 1.012 559 Y HN 0.155 nan 8.280 nan 0.000 0.552 560 E N 1.556 121.451 120.200 -0.508 0.000 2.160 560 E HA -0.272 4.237 4.350 0.265 0.000 0.195 560 E C 2.047 178.449 176.600 -0.330 0.000 0.991 560 E CA 1.718 57.822 56.400 -0.494 0.000 0.810 560 E CB -0.408 28.432 29.700 -1.433 0.000 0.742 560 E HN 0.401 nan 8.360 nan 0.000 0.466 561 R N -0.449 119.817 120.500 -0.391 0.000 2.127 561 R HA -0.115 4.384 4.340 0.265 0.000 0.238 561 R C 0.789 176.673 176.300 -0.693 0.000 1.134 561 R CA 1.618 57.380 56.100 -0.564 0.000 0.975 561 R CB -0.307 29.580 30.300 -0.689 0.000 0.865 561 R HN 0.466 nan 8.270 nan 0.000 0.447 562 Y N -1.380 118.866 120.300 -0.089 0.000 2.641 562 Y HA 0.292 5.001 4.550 0.265 0.000 0.248 562 Y C -0.452 175.483 175.900 0.058 0.000 1.170 562 Y CA -0.961 57.112 58.100 -0.045 0.000 1.201 562 Y CB 0.507 38.914 38.460 -0.089 0.000 1.232 562 Y HN -0.063 nan 8.280 nan 0.000 0.537 563 L N 2.216 123.550 121.223 0.184 0.000 2.367 563 L HA 0.318 4.817 4.340 0.265 0.000 0.275 563 L C -0.272 176.697 176.870 0.164 0.000 1.129 563 L CA -0.174 54.788 54.840 0.203 0.000 0.839 563 L CB 0.296 42.510 42.059 0.259 0.000 1.133 563 L HN -0.105 nan 8.230 nan 0.000 0.453 564 K N 1.964 122.475 120.400 0.186 0.000 2.168 564 K HA 0.302 4.781 4.320 0.265 0.000 0.239 564 K C 1.173 177.901 176.600 0.214 0.000 0.999 564 K CA 0.220 56.624 56.287 0.194 0.000 0.900 564 K CB 1.337 33.969 32.500 0.220 0.000 1.111 564 K HN 0.683 nan 8.250 nan 0.000 0.452 565 S N -0.772 115.069 115.700 0.235 0.000 2.559 565 S HA -0.159 4.470 4.470 0.265 0.000 0.250 565 S C 0.548 175.287 174.600 0.231 0.000 0.977 565 S CA 1.609 59.944 58.200 0.224 0.000 0.958 565 S CB -0.348 62.981 63.200 0.215 0.000 0.751 565 S HN 0.509 nan 8.310 nan 0.000 0.534 566 D N 1.618 122.171 120.400 0.255 0.000 2.323 566 D HA 0.095 4.893 4.640 0.265 0.000 0.209 566 D C 0.209 176.634 176.300 0.209 0.000 0.973 566 D CA 0.296 54.455 54.000 0.264 0.000 0.874 566 D CB -0.208 40.781 40.800 0.314 0.000 0.930 566 D HN 0.275 nan 8.370 nan 0.000 0.521 567 N N 0.316 119.129 118.700 0.188 0.000 2.716 567 N HA -0.198 4.701 4.740 0.265 0.000 0.250 567 N C -0.852 174.725 175.510 0.111 0.000 1.033 567 N CA 0.834 53.972 53.050 0.146 0.000 0.727 567 N CB -1.151 37.425 38.487 0.148 0.000 0.950 567 N HN 0.384 nan 8.380 nan 0.000 0.541 568 M N 0.300 119.981 119.600 0.135 0.000 2.465 568 M HA 0.566 5.205 4.480 0.265 0.000 0.316 568 M C -0.086 176.284 176.300 0.117 0.000 1.121 568 M CA -0.506 54.873 55.300 0.130 0.000 0.934 568 M CB 2.198 34.911 32.600 0.188 0.000 1.692 568 M HN -0.066 nan 8.290 nan 0.000 0.444 569 I N 1.381 122.009 120.570 0.096 0.000 2.582 569 I HA 0.464 4.793 4.170 0.265 0.000 0.292 569 I C -0.511 175.696 176.117 0.150 0.000 1.066 569 I CA -0.862 60.510 61.300 0.121 0.000 1.053 569 I CB 2.420 40.451 38.000 0.052 0.000 1.241 569 I HN 0.620 nan 8.210 nan 0.000 0.421 570 R N 6.401 127.029 120.500 0.213 0.000 2.204 570 R HA 0.464 4.963 4.340 0.265 0.000 0.341 570 R C -1.103 175.347 176.300 0.251 0.000 1.035 570 R CA -0.274 55.956 56.100 0.218 0.000 0.887 570 R CB 0.246 30.678 30.300 0.220 0.000 1.114 570 R HN 0.423 nan 8.270 nan 0.000 0.473 571 I N 4.195 124.880 120.570 0.192 0.000 2.365 571 I HA 0.316 4.645 4.170 0.265 0.000 0.291 571 I C -0.176 176.061 176.117 0.200 0.000 1.004 571 I CA -0.248 61.170 61.300 0.197 0.000 1.311 571 I CB 1.431 39.495 38.000 0.106 0.000 1.401 571 I HN 0.659 nan 8.210 nan 0.000 0.491 572 T N 4.794 119.494 114.554 0.243 0.000 2.921 572 T HA 0.736 5.245 4.350 0.265 0.000 0.297 572 T C -0.479 174.311 174.700 0.150 0.000 1.013 572 T CA -0.664 61.531 62.100 0.158 0.000 0.990 572 T CB 2.120 71.110 68.868 0.205 0.000 1.023 572 T HN 0.709 nan 8.240 nan 0.000 0.447 573 A N 2.336 125.188 122.820 0.054 0.000 2.343 573 A HA 0.766 5.245 4.320 0.265 0.000 0.308 573 A C -0.822 176.749 177.584 -0.021 0.000 1.092 573 A CA -0.686 51.391 52.037 0.067 0.000 0.751 573 A CB 1.218 20.275 19.000 0.094 0.000 1.203 573 A HN 0.686 nan 8.150 nan 0.000 0.452 574 V N 2.478 122.387 119.914 -0.008 0.000 2.326 574 V HA 0.250 4.529 4.120 0.265 0.000 0.281 574 V C -0.472 175.625 176.094 0.005 0.000 1.015 574 V CA -0.499 61.782 62.300 -0.032 0.000 0.823 574 V CB 0.758 32.567 31.823 -0.022 0.000 1.009 574 V HN 0.976 nan 8.190 nan 0.000 0.436 575 C N 5.104 124.406 119.300 0.002 0.000 2.273 575 C HA 0.699 5.318 4.460 0.265 0.000 0.328 575 C C 0.213 175.218 174.990 0.025 0.000 1.275 575 C CA -1.032 57.994 59.018 0.013 0.000 1.704 575 C CB 0.395 28.141 27.740 0.010 0.000 2.326 575 C HN 0.835 nan 8.230 nan 0.000 0.517 576 K N 2.491 122.910 120.400 0.031 0.000 2.345 576 K HA 0.734 5.213 4.320 0.265 0.000 0.255 576 K C -1.085 175.532 176.600 0.029 0.000 0.934 576 K CA -0.247 56.067 56.287 0.044 0.000 0.801 576 K CB 1.041 33.580 32.500 0.064 0.000 1.137 576 K HN 0.524 nan 8.250 nan 0.000 0.424 577 V N 5.636 125.566 119.914 0.027 0.000 2.581 577 V HA 0.487 4.766 4.120 0.265 0.000 0.303 577 V C -2.237 173.866 176.094 0.015 0.000 1.041 577 V CA -2.469 59.841 62.300 0.017 0.000 0.907 577 V CB 1.533 33.364 31.823 0.014 0.000 0.994 577 V HN 0.798 nan 8.190 nan 0.000 0.442 578 P HA 0.062 nan 4.420 nan 0.000 0.260 578 P C 0.141 177.440 177.300 -0.001 0.000 1.172 578 P CA 0.796 63.898 63.100 0.002 0.000 0.760 578 P CB 0.126 31.826 31.700 -0.001 0.000 0.773 579 D N -0.226 120.169 120.400 -0.008 0.000 2.554 579 D HA -0.177 4.622 4.640 0.265 0.000 0.178 579 D C 0.008 176.303 176.300 -0.009 0.000 1.054 579 D CA 1.402 55.393 54.000 -0.015 0.000 1.052 579 D CB -0.782 40.010 40.800 -0.014 0.000 1.112 579 D HN 0.541 nan 8.370 nan 0.000 0.448 580 E N 0.637 120.840 120.200 0.005 0.000 2.318 580 E HA 0.414 4.923 4.350 0.265 0.000 0.265 580 E C 0.170 176.790 176.600 0.033 0.000 1.069 580 E CA -0.315 56.093 56.400 0.014 0.000 0.893 580 E CB 1.342 31.052 29.700 0.016 0.000 1.076 580 E HN 0.011 nan 8.360 nan 0.000 0.414 581 S N 0.791 116.519 115.700 0.047 0.000 2.589 581 S HA 0.001 4.629 4.470 0.265 0.000 0.265 581 S C -0.130 174.532 174.600 0.103 0.000 1.342 581 S CA -0.434 57.823 58.200 0.095 0.000 1.005 581 S CB 0.456 63.713 63.200 0.094 0.000 0.909 581 S HN 0.307 nan 8.310 nan 0.000 0.555 582 E N 0.478 120.776 120.200 0.163 0.000 2.391 582 E HA 0.397 4.906 4.350 0.265 0.000 0.255 582 E C -0.968 175.662 176.600 0.051 0.000 1.187 582 E CA -0.213 56.256 56.400 0.115 0.000 0.941 582 E CB 0.614 30.405 29.700 0.151 0.000 1.010 582 E HN 0.317 nan 8.360 nan 0.000 0.458 583 V N 1.848 121.772 119.914 0.017 0.000 2.482 583 V HA 0.216 4.495 4.120 0.265 0.000 0.295 583 V C -0.941 175.123 176.094 -0.051 0.000 1.026 583 V CA -0.831 61.461 62.300 -0.013 0.000 0.856 583 V CB 1.736 33.557 31.823 -0.004 0.000 1.001 583 V HN 0.372 nan 8.190 nan 0.000 0.424 584 V N 6.067 125.924 119.914 -0.095 0.000 2.364 584 V HA 0.389 4.668 4.120 0.265 0.000 0.272 584 V C 0.010 176.020 176.094 -0.140 0.000 1.036 584 V CA -0.503 61.686 62.300 -0.185 0.000 0.880 584 V CB 1.528 33.160 31.823 -0.318 0.000 0.991 584 V HN 0.580 nan 8.190 nan 0.000 0.460 585 V N 6.231 126.079 119.914 -0.111 0.000 2.347 585 V HA 0.478 4.757 4.120 0.265 0.000 0.280 585 V C 0.054 176.117 176.094 -0.052 0.000 1.021 585 V CA -0.502 61.768 62.300 -0.051 0.000 0.847 585 V CB 1.252 33.072 31.823 -0.005 0.000 0.990 585 V HN 1.059 nan 8.190 nan 0.000 0.444 586 E N 4.627 124.814 120.200 -0.022 0.000 2.312 586 E HA 0.925 5.434 4.350 0.265 0.000 0.267 586 E C -0.812 175.826 176.600 0.065 0.000 0.894 586 E CA -1.404 55.012 56.400 0.027 0.000 0.773 586 E CB 2.849 32.579 29.700 0.050 0.000 1.241 586 E HN 0.405 nan 8.360 nan 0.000 0.432 587 R N 1.485 122.041 120.500 0.093 0.000 2.678 587 R HA 0.228 4.727 4.340 0.265 0.000 0.267 587 R C -2.189 174.174 176.300 0.105 0.000 1.173 587 R CA -0.316 55.837 56.100 0.088 0.000 1.061 587 R CB 0.852 31.189 30.300 0.062 0.000 1.262 587 R HN 0.584 nan 8.270 nan 0.000 0.427 588 D N 5.028 125.498 120.400 0.116 0.000 2.210 588 D HA 0.401 5.200 4.640 0.265 0.000 0.249 588 D C 0.288 176.649 176.300 0.101 0.000 1.078 588 D CA -0.070 54.006 54.000 0.126 0.000 0.875 588 D CB 1.255 42.148 40.800 0.155 0.000 1.175 588 D HN 0.546 nan 8.370 nan 0.000 0.440 589 I N -1.680 118.941 120.570 0.084 0.000 2.693 589 I HA 0.572 4.901 4.170 0.265 0.000 0.303 589 I C -0.536 175.618 176.117 0.061 0.000 1.025 589 I CA -1.018 60.314 61.300 0.054 0.000 1.086 589 I CB 1.872 39.880 38.000 0.013 0.000 1.268 589 I HN 0.075 nan 8.210 nan 0.000 0.440 590 I N 5.105 125.707 120.570 0.053 0.000 2.378 590 I HA 0.343 4.672 4.170 0.265 0.000 0.291 590 I C -1.005 175.132 176.117 0.034 0.000 0.992 590 I CA -0.700 60.637 61.300 0.062 0.000 1.154 590 I CB 1.902 39.948 38.000 0.077 0.000 1.315 590 I HN 0.396 nan 8.210 nan 0.000 0.448 591 L N 6.347 127.589 121.223 0.033 0.000 2.282 591 L HA 0.337 4.836 4.340 0.265 0.000 0.288 591 L C 0.207 177.122 176.870 0.075 0.000 1.033 591 L CA -0.198 54.662 54.840 0.033 0.000 0.807 591 L CB 0.642 42.699 42.059 -0.004 0.000 1.209 591 L HN 0.448 nan 8.230 nan 0.000 0.423 592 D N 1.980 122.420 120.400 0.066 0.000 2.368 592 D HA 0.071 4.870 4.640 0.265 0.000 0.240 592 D C -0.126 176.235 176.300 0.100 0.000 1.169 592 D CA 0.067 54.106 54.000 0.066 0.000 0.906 592 D CB 0.814 41.635 40.800 0.034 0.000 1.187 592 D HN 0.398 nan 8.370 nan 0.000 0.435 593 N N 1.189 119.939 118.700 0.083 0.000 2.509 593 N HA 0.265 5.164 4.740 0.265 0.000 0.287 593 N C -2.320 173.185 175.510 -0.009 0.000 1.121 593 N CA -1.131 51.966 53.050 0.079 0.000 0.977 593 N CB 0.984 39.522 38.487 0.086 0.000 1.167 593 N HN 0.139 nan 8.380 nan 0.000 0.476 594 P HA 0.011 nan 4.420 nan 0.000 0.267 594 P C -0.341 176.901 177.300 -0.097 0.000 1.209 594 P CA 0.074 63.066 63.100 -0.181 0.000 0.763 594 P CB 0.044 31.505 31.700 -0.399 0.000 0.816 595 T N 3.443 117.937 114.554 -0.100 0.000 2.934 595 T HA 0.046 4.554 4.350 0.265 0.000 0.321 595 T C 0.310 175.002 174.700 -0.013 0.000 1.080 595 T CA 0.530 62.598 62.100 -0.053 0.000 1.132 595 T CB -0.078 68.747 68.868 -0.072 0.000 1.039 595 T HN 0.333 nan 8.240 nan 0.000 0.543 596 L N 3.664 124.915 121.223 0.047 0.000 2.376 596 L HA 0.523 5.022 4.340 0.265 0.000 0.275 596 L C -0.263 176.620 176.870 0.021 0.000 0.987 596 L CA -0.163 54.728 54.840 0.086 0.000 0.828 596 L CB 1.704 43.830 42.059 0.112 0.000 1.249 596 L HN 0.702 nan 8.230 nan 0.000 0.409 597 T N 4.930 119.483 114.554 -0.002 0.000 2.925 597 T HA 0.681 5.190 4.350 0.265 0.000 0.285 597 T C -0.352 174.352 174.700 0.006 0.000 1.021 597 T CA -0.610 61.485 62.100 -0.009 0.000 1.042 597 T CB 1.610 70.460 68.868 -0.030 0.000 1.037 597 T HN 0.492 nan 8.240 nan 0.000 0.481 598 L N 1.718 122.945 121.223 0.007 0.000 2.362 598 L HA 0.644 5.143 4.340 0.265 0.000 0.271 598 L C -0.231 176.630 176.870 -0.015 0.000 1.002 598 L CA -0.717 54.134 54.840 0.017 0.000 0.818 598 L CB 1.976 44.059 42.059 0.039 0.000 1.298 598 L HN 0.713 nan 8.230 nan 0.000 0.420 599 E N 1.437 121.614 120.200 -0.039 0.000 2.352 599 E HA 0.421 4.930 4.350 0.265 0.000 0.280 599 E C -1.405 175.140 176.600 -0.092 0.000 0.930 599 E CA -0.761 55.605 56.400 -0.057 0.000 0.765 599 E CB 3.123 32.791 29.700 -0.055 0.000 1.219 599 E HN 0.329 nan 8.360 nan 0.000 0.434 600 V N 0.167 120.033 119.914 -0.079 0.000 2.532 600 V HA 0.356 4.635 4.120 0.265 0.000 0.295 600 V C 0.048 176.091 176.094 -0.084 0.000 1.041 600 V CA -0.734 61.509 62.300 -0.095 0.000 0.926 600 V CB 1.052 32.834 31.823 -0.069 0.000 0.992 600 V HN 0.587 nan 8.190 nan 0.000 0.457 601 L N 4.062 125.228 121.223 -0.095 0.000 2.741 601 L HA 0.450 4.949 4.340 0.265 0.000 0.237 601 L C 0.304 177.139 176.870 -0.058 0.000 1.178 601 L CA 0.288 55.083 54.840 -0.075 0.000 0.973 601 L CB -1.944 40.064 42.059 -0.084 0.000 1.255 601 L HN 1.180 nan 8.230 nan 0.000 0.498 602 N N -2.895 115.773 118.700 -0.053 0.000 3.501 602 N HA 0.076 4.975 4.740 0.265 0.000 0.235 602 N C -0.890 174.599 175.510 -0.035 0.000 1.442 602 N CA -0.857 52.169 53.050 -0.040 0.000 0.872 602 N CB 0.754 39.218 38.487 -0.038 0.000 1.414 602 N HN -0.009 nan 8.380 nan 0.000 0.485 603 E N -0.033 120.152 120.200 -0.026 0.000 2.344 603 E HA 0.477 4.986 4.350 0.265 0.000 0.270 603 E C -0.680 175.908 176.600 -0.020 0.000 1.021 603 E CA -0.605 55.782 56.400 -0.021 0.000 0.887 603 E CB 0.587 30.277 29.700 -0.016 0.000 0.997 603 E HN 0.657 nan 8.360 nan 0.000 0.429 604 A N 5.418 128.227 122.820 -0.018 0.000 2.301 604 A HA 0.503 4.982 4.320 0.265 0.000 0.298 604 A C -0.474 177.105 177.584 -0.008 0.000 1.185 604 A CA -0.416 51.612 52.037 -0.014 0.000 0.830 604 A CB 0.599 19.591 19.000 -0.013 0.000 1.112 604 A HN 0.728 nan 8.150 nan 0.000 0.508 605 R N 1.348 121.844 120.500 -0.006 0.000 2.725 605 R HA 0.482 4.980 4.340 0.265 0.000 0.277 605 R C -0.989 175.312 176.300 0.001 0.000 0.987 605 R CA -0.923 55.176 56.100 -0.002 0.000 0.901 605 R CB 2.167 32.466 30.300 -0.003 0.000 1.207 605 R HN 0.518 nan 8.270 nan 0.000 0.463 606 V N 3.222 123.138 119.914 0.003 0.000 2.694 606 V HA -0.056 4.223 4.120 0.265 0.000 0.306 606 V C 0.858 176.957 176.094 0.007 0.000 1.054 606 V CA 0.923 63.226 62.300 0.006 0.000 1.161 606 V CB -0.033 31.792 31.823 0.005 0.000 0.916 606 V HN 0.793 nan 8.190 nan 0.000 0.490 607 R N 1.283 121.789 120.500 0.010 0.000 4.000 607 R HA -0.172 4.327 4.340 0.265 0.000 0.362 607 R C -0.307 175.998 176.300 0.009 0.000 1.183 607 R CA 1.028 57.135 56.100 0.011 0.000 1.011 607 R CB -1.007 29.300 30.300 0.011 0.000 1.501 607 R HN 0.563 nan 8.270 nan 0.000 0.553 608 K N 0.222 120.626 120.400 0.007 0.000 2.345 608 K HA 0.400 4.878 4.320 0.265 0.000 0.255 608 K C -2.597 174.004 176.600 0.002 0.000 0.934 608 K CA -2.450 53.839 56.287 0.003 0.000 0.801 608 K CB 1.490 33.990 32.500 0.000 0.000 1.137 608 K HN -0.276 nan 8.250 nan 0.000 0.424 609 P HA 0.001 nan 4.420 nan 0.000 0.266 609 P C -1.003 176.289 177.300 -0.015 0.000 1.193 609 P CA -0.213 62.886 63.100 -0.002 0.000 0.770 609 P CB 0.537 32.236 31.700 -0.001 0.000 0.836 610 V N 3.255 123.154 119.914 -0.024 0.000 2.524 610 V HA 0.247 4.525 4.120 0.265 0.000 0.297 610 V C -0.185 175.856 176.094 -0.088 0.000 1.035 610 V CA -0.744 61.528 62.300 -0.047 0.000 0.867 610 V CB 1.513 33.312 31.823 -0.039 0.000 1.004 610 V HN 0.442 nan 8.190 nan 0.000 0.426 611 N N 2.815 121.454 118.700 -0.103 0.000 2.530 611 N HA 0.642 5.541 4.740 0.265 0.000 0.273 611 N C -0.547 174.819 175.510 -0.241 0.000 1.173 611 N CA -0.231 52.726 53.050 -0.155 0.000 0.967 611 N CB 1.649 40.072 38.487 -0.108 0.000 1.109 611 N HN 0.493 nan 8.380 nan 0.000 0.453 612 V N 0.297 119.955 119.914 -0.427 0.000 3.181 612 V HA 0.567 4.846 4.120 0.265 0.000 0.308 612 V C -0.882 174.870 176.094 -0.570 0.000 1.214 612 V CA -0.959 61.009 62.300 -0.554 0.000 1.053 612 V CB 2.060 33.362 31.823 -0.868 0.000 1.069 612 V HN 0.792 nan 8.190 nan 0.000 0.441 613 Q N 1.430 121.012 119.800 -0.363 0.000 2.353 613 Q HA 0.661 5.160 4.340 0.265 0.000 0.275 613 Q C -1.465 174.542 176.000 0.011 0.000 1.029 613 Q CA -0.735 54.985 55.803 -0.137 0.000 0.848 613 Q CB 2.706 31.394 28.738 -0.083 0.000 1.390 613 Q HN 0.726 nan 8.270 nan 0.000 0.401 614 M N 3.809 123.486 119.600 0.127 0.000 2.363 614 M HA 0.544 5.183 4.480 0.265 0.000 0.343 614 M C -2.036 174.276 176.300 0.020 0.000 1.165 614 M CA -0.756 54.608 55.300 0.106 0.000 1.046 614 M CB 1.127 33.813 32.600 0.144 0.000 1.648 614 M HN 0.874 nan 8.290 nan 0.000 0.452 615 L N 5.217 126.432 121.223 -0.013 0.000 2.385 615 L HA 0.641 5.140 4.340 0.265 0.000 0.273 615 L C -1.505 175.341 176.870 -0.040 0.000 0.990 615 L CA -0.615 54.202 54.840 -0.039 0.000 0.821 615 L CB 2.231 44.261 42.059 -0.048 0.000 1.279 615 L HN 0.738 nan 8.230 nan 0.000 0.412 616 F N 1.376 121.170 119.950 -0.259 0.000 2.604 616 F HA 0.537 5.223 4.527 0.265 0.000 0.316 616 F C -0.883 174.783 175.800 -0.224 0.000 1.136 616 F CA -0.252 57.548 58.000 -0.334 0.000 0.989 616 F CB 2.177 40.767 39.000 -0.683 0.000 1.258 616 F HN 0.295 nan 8.300 nan 0.000 0.451 617 S N 4.054 119.096 115.700 -1.096 0.000 2.449 617 S HA 0.300 4.929 4.470 0.265 0.000 0.310 617 S C -0.996 172.991 174.600 -1.020 0.000 1.096 617 S CA -0.666 57.094 58.200 -0.733 0.000 1.095 617 S CB 1.109 64.043 63.200 -0.444 0.000 1.007 617 S HN 0.611 nan 8.310 nan 0.000 0.474 618 N N 4.075 122.527 118.700 -0.414 0.000 2.437 618 N HA 0.288 5.187 4.740 0.265 0.000 0.243 618 N C -1.419 174.062 175.510 -0.048 0.000 1.041 618 N CA -2.118 50.888 53.050 -0.074 0.000 0.940 618 N CB 1.026 39.672 38.487 0.265 0.000 1.133 618 N HN 0.226 nan 8.380 nan 0.000 0.506 619 P HA -0.042 nan 4.420 nan 0.000 0.233 619 P C 0.113 177.412 177.300 -0.002 0.000 1.167 619 P CA 0.495 63.570 63.100 -0.040 0.000 0.770 619 P CB 0.491 32.156 31.700 -0.059 0.000 0.837 620 L N 0.575 121.839 121.223 0.069 0.000 2.466 620 L HA 0.154 4.652 4.340 0.265 0.000 0.257 620 L C 1.466 178.335 176.870 -0.002 0.000 1.189 620 L CA -0.170 54.663 54.840 -0.012 0.000 0.813 620 L CB 0.141 42.215 42.059 0.026 0.000 1.118 620 L HN -0.222 nan 8.230 nan 0.000 0.471 621 D N 0.196 120.582 120.400 -0.024 0.000 2.340 621 D HA -0.001 4.798 4.640 0.265 0.000 0.220 621 D C 0.215 176.527 176.300 0.021 0.000 1.039 621 D CA 0.440 54.439 54.000 -0.001 0.000 0.866 621 D CB 0.329 41.126 40.800 -0.005 0.000 0.913 621 D HN 0.617 nan 8.370 nan 0.000 0.523 622 E N 0.893 121.114 120.200 0.035 0.000 2.244 622 E HA 0.480 4.989 4.350 0.265 0.000 0.266 622 E C -2.787 173.855 176.600 0.070 0.000 0.914 622 E CA -2.181 54.247 56.400 0.046 0.000 0.794 622 E CB 2.177 31.904 29.700 0.046 0.000 1.210 622 E HN -0.205 nan 8.360 nan 0.000 0.414 623 P HA 0.054 nan 4.420 nan 0.000 0.276 623 P C -0.329 177.042 177.300 0.118 0.000 1.261 623 P CA -0.539 62.619 63.100 0.096 0.000 0.800 623 P CB 0.874 32.617 31.700 0.072 0.000 1.066 624 V N -1.329 118.685 119.914 0.166 0.000 2.409 624 V HA 0.621 4.900 4.120 0.265 0.000 0.291 624 V C 0.308 176.474 176.094 0.119 0.000 1.020 624 V CA -0.860 61.546 62.300 0.176 0.000 0.848 624 V CB 1.061 33.088 31.823 0.340 0.000 0.990 624 V HN 0.615 nan 8.190 nan 0.000 0.430 625 R N 2.043 122.576 120.500 0.054 0.000 2.810 625 R HA 0.629 5.128 4.340 0.265 0.000 0.245 625 R C -0.671 175.614 176.300 -0.024 0.000 1.168 625 R CA -0.580 55.533 56.100 0.023 0.000 1.096 625 R CB 0.431 30.738 30.300 0.012 0.000 1.259 625 R HN 0.598 nan 8.270 nan 0.000 0.518 626 D N -0.409 119.971 120.400 -0.033 0.000 2.689 626 D HA -0.135 4.663 4.640 0.265 0.000 0.237 626 D C -0.733 175.490 176.300 -0.128 0.000 1.148 626 D CA 0.514 54.473 54.000 -0.068 0.000 0.656 626 D CB -1.382 39.376 40.800 -0.071 0.000 1.050 626 D HN 0.456 nan 8.370 nan 0.000 0.426 627 C N 0.467 119.701 119.300 -0.110 0.000 2.435 627 C HA 0.556 5.175 4.460 0.265 0.000 0.375 627 C C 0.931 175.819 174.990 -0.169 0.000 1.281 627 C CA -0.672 58.218 59.018 -0.213 0.000 1.963 627 C CB 0.963 28.701 27.740 -0.003 0.000 2.490 627 C HN 0.181 nan 8.230 nan 0.000 0.557 628 V N 5.066 124.805 119.914 -0.292 0.000 2.686 628 V HA 0.484 4.763 4.120 0.265 0.000 0.306 628 V C -0.442 175.562 176.094 -0.150 0.000 1.065 628 V CA -0.465 61.732 62.300 -0.172 0.000 0.894 628 V CB 1.838 33.558 31.823 -0.172 0.000 1.004 628 V HN 0.795 nan 8.190 nan 0.000 0.424 629 L N 5.391 126.588 121.223 -0.043 0.000 2.329 629 L HA 0.696 5.195 4.340 0.265 0.000 0.279 629 L C -0.848 175.963 176.870 -0.099 0.000 1.014 629 L CA -0.455 54.384 54.840 -0.002 0.000 0.814 629 L CB 1.574 43.655 42.059 0.037 0.000 1.257 629 L HN 0.607 nan 8.230 nan 0.000 0.424 630 M N 5.719 125.258 119.600 -0.100 0.000 2.197 630 M HA 0.475 5.114 4.480 0.265 0.000 0.301 630 M C -1.243 174.974 176.300 -0.138 0.000 0.987 630 M CA -0.645 54.576 55.300 -0.131 0.000 0.921 630 M CB 1.937 34.465 32.600 -0.120 0.000 1.569 630 M HN 0.247 nan 8.290 nan 0.000 0.431 631 V N 2.742 122.546 119.914 -0.185 0.000 2.823 631 V HA 0.698 4.977 4.120 0.265 0.000 0.312 631 V C -0.520 175.509 176.094 -0.108 0.000 1.072 631 V CA -0.508 61.695 62.300 -0.161 0.000 0.937 631 V CB 2.522 34.159 31.823 -0.309 0.000 1.013 631 V HN 0.984 nan 8.190 nan 0.000 0.430 632 E N 2.093 122.255 120.200 -0.064 0.000 2.429 632 E HA 0.766 5.275 4.350 0.265 0.000 0.280 632 E C -0.737 175.842 176.600 -0.035 0.000 1.068 632 E CA -0.892 55.478 56.400 -0.050 0.000 0.837 632 E CB 2.233 31.886 29.700 -0.079 0.000 1.357 632 E HN 1.140 nan 8.360 nan 0.000 0.455 633 G N 0.707 109.494 108.800 -0.022 0.000 1.959 633 G HA2 0.289 4.408 3.960 0.265 0.000 0.289 633 G HA3 0.289 4.408 3.960 0.265 0.000 0.289 633 G C -0.979 173.931 174.900 0.016 0.000 1.705 633 G CA -0.663 44.431 45.100 -0.011 0.000 0.913 633 G HN 0.391 nan 8.290 nan 0.000 0.686 634 S N 0.361 116.076 115.700 0.026 0.000 2.544 634 S HA 0.418 5.047 4.470 0.265 0.000 0.290 634 S C 1.636 176.276 174.600 0.068 0.000 1.276 634 S CA 1.687 59.927 58.200 0.067 0.000 1.075 634 S CB 0.918 64.186 63.200 0.112 0.000 0.849 634 S HN 2.361 nan 8.310 nan 0.000 0.494 635 G N 2.312 111.151 108.800 0.065 0.000 2.199 635 G HA2 -0.223 3.896 3.960 0.265 0.000 0.254 635 G HA3 -0.223 3.896 3.960 0.265 0.000 0.254 635 G C 0.499 175.423 174.900 0.040 0.000 0.982 635 G CA 0.387 45.517 45.100 0.050 0.000 0.632 635 G HN 0.591 nan 8.290 nan 0.000 0.529 636 L N -1.148 120.101 121.223 0.042 0.000 2.515 636 L HA 0.557 5.056 4.340 0.265 0.000 0.202 636 L C 1.127 178.028 176.870 0.051 0.000 1.056 636 L CA 0.431 55.297 54.840 0.043 0.000 0.847 636 L CB 0.207 42.293 42.059 0.046 0.000 1.131 636 L HN 0.154 nan 8.230 nan 0.000 0.484 637 L N -0.395 120.857 121.223 0.049 0.000 2.327 637 L HA 0.455 4.953 4.340 0.265 0.000 0.258 637 L C -1.041 175.852 176.870 0.039 0.000 1.024 637 L CA -0.595 54.273 54.840 0.048 0.000 0.825 637 L CB 2.681 44.767 42.059 0.045 0.000 1.386 637 L HN -0.101 nan 8.230 nan 0.000 0.417 638 L N 1.824 123.068 121.223 0.035 0.000 2.272 638 L HA 0.634 5.133 4.340 0.265 0.000 0.284 638 L C 0.643 177.527 176.870 0.023 0.000 1.045 638 L CA -0.102 54.759 54.840 0.035 0.000 0.842 638 L CB 0.519 42.599 42.059 0.036 0.000 1.224 638 L HN 0.896 nan 8.230 nan 0.000 0.430 639 G N 3.202 112.014 108.800 0.020 0.000 2.615 639 G HA2 -0.260 3.859 3.960 0.265 0.000 0.218 639 G HA3 -0.260 3.859 3.960 0.265 0.000 0.218 639 G C -0.702 174.191 174.900 -0.012 0.000 1.339 639 G CA -0.587 44.517 45.100 0.008 0.000 0.884 639 G HN 0.644 nan 8.290 nan 0.000 0.559 640 N N 0.098 118.785 118.700 -0.022 0.000 2.424 640 N HA 0.456 5.354 4.740 0.265 0.000 0.271 640 N C -0.575 174.896 175.510 -0.066 0.000 0.985 640 N CA -0.610 52.411 53.050 -0.048 0.000 0.921 640 N CB 1.430 39.892 38.487 -0.042 0.000 1.149 640 N HN 0.776 nan 8.380 nan 0.000 0.492 641 L N 3.515 124.676 121.223 -0.103 0.000 2.313 641 L HA 0.318 4.817 4.340 0.265 0.000 0.282 641 L C 0.169 176.941 176.870 -0.162 0.000 1.092 641 L CA 0.126 54.883 54.840 -0.140 0.000 0.831 641 L CB 0.262 42.189 42.059 -0.220 0.000 1.159 641 L HN 0.480 nan 8.230 nan 0.000 0.442 642 K N 6.362 126.690 120.400 -0.121 0.000 2.182 642 K HA 0.607 5.086 4.320 0.265 0.000 0.262 642 K C -1.454 175.082 176.600 -0.106 0.000 0.957 642 K CA -0.570 55.649 56.287 -0.114 0.000 0.842 642 K CB 0.892 33.340 32.500 -0.085 0.000 1.099 642 K HN 0.726 nan 8.250 nan 0.000 0.438 643 I N 3.431 123.940 120.570 -0.102 0.000 2.500 643 I HA 0.129 4.458 4.170 0.265 0.000 0.286 643 I C -0.973 175.122 176.117 -0.037 0.000 1.063 643 I CA -1.027 60.233 61.300 -0.067 0.000 1.062 643 I CB 1.927 39.880 38.000 -0.079 0.000 1.223 643 I HN 0.526 nan 8.210 nan 0.000 0.435 644 D N 5.918 126.302 120.400 -0.026 0.000 2.401 644 D HA 0.194 4.993 4.640 0.265 0.000 0.254 644 D C -0.204 176.105 176.300 0.016 0.000 1.192 644 D CA 0.243 54.233 54.000 -0.017 0.000 0.885 644 D CB 1.715 42.505 40.800 -0.016 0.000 1.147 644 D HN 0.044 nan 8.370 nan 0.000 0.478 645 V N 5.470 125.406 119.914 0.036 0.000 2.427 645 V HA 0.300 4.579 4.120 0.265 0.000 0.286 645 V C -1.869 174.271 176.094 0.077 0.000 1.034 645 V CA -1.586 60.767 62.300 0.090 0.000 0.893 645 V CB 1.553 33.499 31.823 0.206 0.000 0.982 645 V HN 0.459 nan 8.190 nan 0.000 0.452 646 P HA 0.075 nan 4.420 nan 0.000 0.271 646 P C 0.134 177.485 177.300 0.084 0.000 1.216 646 P CA -0.026 63.111 63.100 0.063 0.000 0.771 646 P CB 0.342 32.074 31.700 0.054 0.000 0.864 647 T N 3.213 117.809 114.554 0.069 0.000 2.872 647 T HA -0.054 4.455 4.350 0.265 0.000 0.292 647 T C 0.329 175.092 174.700 0.105 0.000 1.036 647 T CA 0.674 62.824 62.100 0.083 0.000 1.136 647 T CB -0.238 68.664 68.868 0.057 0.000 1.052 647 T HN 0.279 nan 8.240 nan 0.000 0.512 648 L N 4.211 125.521 121.223 0.145 0.000 2.305 648 L HA 0.646 5.145 4.340 0.265 0.000 0.284 648 L C 0.663 177.612 176.870 0.133 0.000 1.013 648 L CA -0.109 54.823 54.840 0.154 0.000 0.819 648 L CB 0.980 43.180 42.059 0.234 0.000 1.227 648 L HN 0.713 nan 8.230 nan 0.000 0.417 649 G N 4.847 113.702 108.800 0.092 0.000 2.667 649 G HA2 0.311 4.430 3.960 0.265 0.000 0.250 649 G HA3 0.311 4.430 3.960 0.265 0.000 0.250 649 G C -2.556 172.388 174.900 0.074 0.000 1.212 649 G CA -0.896 44.247 45.100 0.072 0.000 0.874 649 G HN 0.589 nan 8.290 nan 0.000 0.561 650 P HA 0.099 nan 4.420 nan 0.000 0.267 650 P C -0.247 177.067 177.300 0.023 0.000 1.205 650 P CA 0.086 63.214 63.100 0.047 0.000 0.765 650 P CB 1.100 32.820 31.700 0.033 0.000 0.828 651 K N -0.994 119.411 120.400 0.009 0.000 3.472 651 K HA -0.139 4.340 4.320 0.265 0.000 0.315 651 K C 0.358 176.940 176.600 -0.030 0.000 1.320 651 K CA 1.140 57.413 56.287 -0.024 0.000 0.962 651 K CB -1.573 30.914 32.500 -0.022 0.000 1.251 651 K HN 0.591 nan 8.250 nan 0.000 0.443 652 E N 0.890 121.087 120.200 -0.005 0.000 2.312 652 E HA 0.321 4.829 4.350 0.265 0.000 0.259 652 E C 0.242 176.826 176.600 -0.027 0.000 1.122 652 E CA -0.510 55.889 56.400 -0.002 0.000 0.922 652 E CB 1.072 30.791 29.700 0.032 0.000 1.109 652 E HN 0.208 nan 8.360 nan 0.000 0.442 653 R N -0.059 120.427 120.500 -0.024 0.000 2.599 653 R HA 0.341 4.840 4.340 0.265 0.000 0.295 653 R C -0.867 175.434 176.300 0.001 0.000 0.963 653 R CA -0.367 55.705 56.100 -0.046 0.000 0.883 653 R CB 1.516 31.777 30.300 -0.066 0.000 1.171 653 R HN 0.390 nan 8.270 nan 0.000 0.450 654 S N 2.575 118.283 115.700 0.014 0.000 2.475 654 S HA 0.466 5.095 4.470 0.265 0.000 0.298 654 S C -0.893 173.708 174.600 0.002 0.000 1.119 654 S CA -0.773 57.446 58.200 0.032 0.000 1.085 654 S CB 0.859 64.091 63.200 0.054 0.000 1.028 654 S HN 0.604 nan 8.310 nan 0.000 0.489 655 R N 4.639 125.148 120.500 0.015 0.000 2.576 655 R HA 0.348 4.847 4.340 0.265 0.000 0.283 655 R C -1.768 174.556 176.300 0.040 0.000 1.493 655 R CA -0.282 55.827 56.100 0.013 0.000 1.170 655 R CB 0.902 31.203 30.300 0.001 0.000 1.189 655 R HN 0.545 nan 8.270 nan 0.000 0.542 656 V N 5.313 125.268 119.914 0.069 0.000 2.385 656 V HA 0.424 4.703 4.120 0.265 0.000 0.269 656 V C 0.789 176.989 176.094 0.176 0.000 1.043 656 V CA -0.488 61.885 62.300 0.122 0.000 0.906 656 V CB 1.229 33.139 31.823 0.145 0.000 0.995 656 V HN 0.444 nan 8.190 nan 0.000 0.467 657 R N 4.309 124.891 120.500 0.137 0.000 2.536 657 R HA 0.786 5.285 4.340 0.265 0.000 0.279 657 R C -0.809 175.626 176.300 0.224 0.000 1.001 657 R CA -0.295 55.857 56.100 0.088 0.000 1.027 657 R CB 1.818 32.129 30.300 0.018 0.000 1.096 657 R HN 0.749 nan 8.270 nan 0.000 0.502 658 F N -1.725 118.224 119.950 -0.001 0.000 2.770 658 F HA 0.431 5.116 4.527 0.263 0.000 0.313 658 F C -1.788 174.012 175.800 -0.001 0.000 1.154 658 F CA -1.310 56.690 58.000 0.000 0.000 0.923 658 F CB 1.244 40.245 39.000 0.002 0.000 1.301 658 F HN 0.237 nan 8.300 nan 0.000 0.449 659 D N 1.744 122.239 120.400 0.159 0.000 2.374 659 D HA 0.767 5.566 4.640 0.265 0.000 0.239 659 D C -0.559 175.837 176.300 0.160 0.000 0.991 659 D CA -0.136 53.888 54.000 0.041 0.000 0.960 659 D CB 2.551 43.369 40.800 0.029 0.000 1.284 659 D HN 0.874 nan 8.370 nan 0.000 0.512 660 I N -2.678 117.938 120.570 0.076 0.000 3.191 660 I HA 0.647 4.975 4.170 0.265 0.000 0.313 660 I C -1.653 174.493 176.117 0.048 0.000 1.193 660 I CA -1.166 60.193 61.300 0.098 0.000 0.968 660 I CB 2.389 40.457 38.000 0.114 0.000 1.262 660 I HN 0.120 nan 8.210 nan 0.000 0.456 661 L N 3.947 125.198 121.223 0.047 0.000 2.492 661 L HA 0.613 5.112 4.340 0.265 0.000 0.258 661 L C -2.589 174.299 176.870 0.029 0.000 1.028 661 L CA -1.454 53.404 54.840 0.031 0.000 0.900 661 L CB 1.079 43.156 42.059 0.031 0.000 1.191 661 L HN 0.386 nan 8.230 nan 0.000 0.459 662 P HA 0.023 nan 4.420 nan 0.000 0.257 662 P C 0.270 177.582 177.300 0.020 0.000 1.162 662 P CA 0.549 63.661 63.100 0.021 0.000 0.762 662 P CB 0.618 32.326 31.700 0.013 0.000 0.753 663 S N 3.337 119.051 115.700 0.023 0.000 2.505 663 S HA 0.142 4.771 4.470 0.265 0.000 0.216 663 S C 0.685 175.293 174.600 0.013 0.000 1.018 663 S CA -0.141 58.072 58.200 0.021 0.000 0.911 663 S CB 0.409 63.627 63.200 0.029 0.000 0.818 663 S HN 0.378 nan 8.310 nan 0.000 0.497 664 R N 1.628 122.134 120.500 0.010 0.000 2.651 664 R HA 0.460 4.959 4.340 0.265 0.000 0.278 664 R C -0.932 175.368 176.300 0.001 0.000 1.010 664 R CA -0.147 55.952 56.100 -0.002 0.000 0.896 664 R CB 2.068 32.359 30.300 -0.014 0.000 1.211 664 R HN 0.382 nan 8.270 nan 0.000 0.456 665 S N 1.263 116.961 115.700 -0.003 0.000 2.632 665 S HA 0.828 5.457 4.470 0.265 0.000 0.267 665 S C 0.488 175.089 174.600 0.001 0.000 1.276 665 S CA 0.295 58.495 58.200 0.000 0.000 0.998 665 S CB 1.575 64.775 63.200 -0.001 0.000 0.953 665 S HN 1.093 nan 8.310 nan 0.000 0.547 666 G N -0.068 108.735 108.800 0.005 0.000 2.422 666 G HA2 0.054 4.173 3.960 0.265 0.000 0.607 666 G HA3 0.054 4.173 3.960 0.265 0.000 0.607 666 G C -0.574 174.332 174.900 0.010 0.000 1.270 666 G CA -0.570 44.534 45.100 0.007 0.000 0.992 666 G HN 0.977 nan 8.290 nan 0.000 0.499 667 T N 2.773 117.335 114.554 0.012 0.000 2.743 667 T HA 0.476 4.985 4.350 0.265 0.000 0.290 667 T C 0.278 174.989 174.700 0.018 0.000 0.908 667 T CA 0.110 62.217 62.100 0.012 0.000 1.092 667 T CB 0.309 69.183 68.868 0.010 0.000 0.882 667 T HN 0.510 nan 8.240 nan 0.000 0.531 668 K N 2.932 123.341 120.400 0.016 0.000 2.208 668 K HA 0.396 4.875 4.320 0.265 0.000 0.247 668 K C -0.179 176.429 176.600 0.014 0.000 0.953 668 K CA -0.818 55.482 56.287 0.021 0.000 0.837 668 K CB 1.925 34.439 32.500 0.022 0.000 1.131 668 K HN 0.529 nan 8.250 nan 0.000 0.431 669 Q N 1.915 121.722 119.800 0.012 0.000 2.347 669 Q HA 0.337 4.836 4.340 0.265 0.000 0.262 669 Q C -1.357 174.641 176.000 -0.004 0.000 0.980 669 Q CA -0.840 54.961 55.803 -0.003 0.000 0.867 669 Q CB 1.069 29.796 28.738 -0.018 0.000 1.242 669 Q HN 0.387 nan 8.270 nan 0.000 0.453 670 L N 5.815 127.040 121.223 0.004 0.000 2.272 670 L HA 0.497 4.995 4.340 0.265 0.000 0.289 670 L C -1.722 175.153 176.870 0.007 0.000 1.032 670 L CA -0.111 54.741 54.840 0.021 0.000 0.810 670 L CB 0.949 43.038 42.059 0.050 0.000 1.205 670 L HN 0.679 nan 8.230 nan 0.000 0.422 671 L N 5.157 126.372 121.223 -0.012 0.000 2.346 671 L HA 0.944 5.443 4.340 0.265 0.000 0.274 671 L C -0.285 176.572 176.870 -0.020 0.000 1.007 671 L CA -0.623 54.199 54.840 -0.030 0.000 0.818 671 L CB 1.834 43.844 42.059 -0.082 0.000 1.284 671 L HN 0.775 nan 8.230 nan 0.000 0.424 672 A N 1.467 124.282 122.820 -0.008 0.000 2.515 672 A HA 0.699 5.178 4.320 0.265 0.000 0.296 672 A C -1.831 175.754 177.584 0.001 0.000 1.094 672 A CA -0.471 51.563 52.037 -0.005 0.000 0.718 672 A CB 2.031 21.052 19.000 0.036 0.000 1.307 672 A HN 0.713 nan 8.150 nan 0.000 0.408 673 D N -0.284 120.114 120.400 -0.004 0.000 2.696 673 D HA 0.554 5.353 4.640 0.265 0.000 0.251 673 D C -1.730 174.594 176.300 0.040 0.000 1.188 673 D CA -0.065 53.938 54.000 0.004 0.000 0.876 673 D CB 0.983 41.752 40.800 -0.050 0.000 1.334 673 D HN 0.323 nan 8.370 nan 0.000 0.540 674 F N 3.127 123.011 119.950 -0.111 0.000 2.426 674 F HA 0.630 5.314 4.527 0.263 0.000 0.348 674 F C -1.084 174.618 175.800 -0.163 0.000 1.124 674 F CA -0.417 57.481 58.000 -0.171 0.000 1.008 674 F CB 1.575 40.416 39.000 -0.264 0.000 1.139 674 F HN 0.228 nan 8.300 nan 0.000 0.452 675 S N 5.060 120.262 115.700 -0.829 0.000 2.538 675 S HA 0.754 5.383 4.470 0.265 0.000 0.288 675 S C -0.966 173.192 174.600 -0.737 0.000 1.108 675 S CA -0.598 57.243 58.200 -0.599 0.000 0.971 675 S CB 1.036 64.050 63.200 -0.311 0.000 1.041 675 S HN 0.893 nan 8.310 nan 0.000 0.483 676 C N 1.829 120.860 119.300 -0.449 0.000 3.318 676 C HA 0.618 5.237 4.460 0.265 0.000 0.329 676 C C 1.599 176.521 174.990 -0.115 0.000 1.449 676 C CA -0.849 58.002 59.018 -0.279 0.000 1.397 676 C CB 0.673 28.296 27.740 -0.196 0.000 1.810 676 C HN 0.871 nan 8.230 nan 0.000 0.449 677 N N 1.267 119.924 118.700 -0.072 0.000 2.166 677 N HA -0.145 4.754 4.740 0.265 0.000 0.186 677 N C 0.893 176.353 175.510 -0.083 0.000 1.019 677 N CA 1.478 54.490 53.050 -0.063 0.000 0.856 677 N CB -0.343 38.115 38.487 -0.049 0.000 0.993 677 N HN 0.707 nan 8.380 nan 0.000 0.426 678 K N -0.492 119.838 120.400 -0.116 0.000 2.374 678 K HA 0.199 4.678 4.320 0.265 0.000 0.196 678 K C -0.515 175.733 176.600 -0.587 0.000 1.023 678 K CA -0.059 56.035 56.287 -0.322 0.000 1.103 678 K CB 0.242 32.507 32.500 -0.390 0.000 0.848 678 K HN 0.229 nan 8.250 nan 0.000 0.528 679 F N 2.565 122.547 119.950 0.054 0.000 3.094 679 F HA 0.228 4.914 4.527 0.264 0.000 0.385 679 F C -2.474 173.311 175.800 -0.026 0.000 1.231 679 F CA -1.915 56.121 58.000 0.061 0.000 1.207 679 F CB 2.341 41.409 39.000 0.113 0.000 1.703 679 F HN -0.188 nan 8.300 nan 0.000 0.610 680 P HA 0.283 nan 4.420 nan 0.000 0.284 680 P C -0.113 177.237 177.300 0.084 0.000 1.253 680 P CA 0.022 63.161 63.100 0.065 0.000 0.800 680 P CB 1.846 33.591 31.700 0.076 0.000 0.961 681 A N 3.182 126.009 122.820 0.012 0.000 2.251 681 A HA -0.177 4.302 4.320 0.265 0.000 0.283 681 A C 0.217 177.842 177.584 0.068 0.000 1.415 681 A CA 0.372 52.424 52.037 0.025 0.000 0.742 681 A CB -2.422 16.608 19.000 0.051 0.000 1.151 681 A HN 0.467 nan 8.150 nan 0.000 0.354 682 I N 1.868 122.481 120.570 0.072 0.000 2.428 682 I HA 0.304 4.633 4.170 0.265 0.000 0.289 682 I C 0.575 176.740 176.117 0.081 0.000 1.019 682 I CA -0.520 60.841 61.300 0.102 0.000 1.351 682 I CB 1.131 39.216 38.000 0.141 0.000 1.412 682 I HN 0.365 nan 8.210 nan 0.000 0.513 683 K N 4.778 125.213 120.400 0.059 0.000 2.238 683 K HA 0.904 5.383 4.320 0.265 0.000 0.239 683 K C -0.953 175.667 176.600 0.033 0.000 0.987 683 K CA -0.853 55.456 56.287 0.037 0.000 0.857 683 K CB 2.148 34.655 32.500 0.012 0.000 1.154 683 K HN 0.670 nan 8.250 nan 0.000 0.439 684 A N 1.227 124.059 122.820 0.021 0.000 2.566 684 A HA 0.713 5.191 4.320 0.265 0.000 0.297 684 A C -1.401 176.186 177.584 0.005 0.000 1.059 684 A CA -0.753 51.294 52.037 0.017 0.000 0.691 684 A CB 1.579 20.600 19.000 0.034 0.000 1.282 684 A HN 0.764 nan 8.150 nan 0.000 0.401 685 M N 2.593 122.191 119.600 -0.003 0.000 2.378 685 M HA 0.796 5.435 4.480 0.265 0.000 0.289 685 M C -2.561 173.735 176.300 -0.007 0.000 1.136 685 M CA -0.855 54.439 55.300 -0.010 0.000 0.917 685 M CB 1.903 34.487 32.600 -0.028 0.000 1.669 685 M HN 0.873 nan 8.290 nan 0.000 0.461 686 L N 3.353 124.575 121.223 -0.003 0.000 2.470 686 L HA 0.568 5.067 4.340 0.265 0.000 0.268 686 L C -1.332 175.535 176.870 -0.004 0.000 0.964 686 L CA 0.134 54.972 54.840 -0.004 0.000 0.839 686 L CB 2.385 44.444 42.059 0.002 0.000 1.276 686 L HN 0.795 nan 8.230 nan 0.000 0.403 687 S N 5.753 121.448 115.700 -0.007 0.000 2.439 687 S HA 0.640 5.269 4.470 0.265 0.000 0.282 687 S C -0.261 174.336 174.600 -0.004 0.000 1.170 687 S CA -0.456 57.741 58.200 -0.005 0.000 1.054 687 S CB -0.233 62.963 63.200 -0.006 0.000 0.956 687 S HN 0.499 nan 8.310 nan 0.000 0.490 688 I N 3.850 124.419 120.570 -0.001 0.000 2.412 688 I HA 0.337 4.666 4.170 0.265 0.000 0.296 688 I C -0.738 175.379 176.117 -0.000 0.000 0.987 688 I CA -0.897 60.401 61.300 -0.003 0.000 1.180 688 I CB 1.729 39.728 38.000 -0.001 0.000 1.340 688 I HN 0.471 nan 8.210 nan 0.000 0.455 689 D N 5.651 126.049 120.400 -0.003 0.000 2.396 689 D HA 0.305 5.104 4.640 0.265 0.000 0.225 689 D C -0.554 175.744 176.300 -0.002 0.000 1.121 689 D CA -0.046 53.953 54.000 -0.001 0.000 0.853 689 D CB 1.583 42.381 40.800 -0.003 0.000 1.043 689 D HN 0.025 nan 8.370 nan 0.000 0.500 690 V N 2.358 122.273 119.914 0.001 0.000 2.370 690 V HA 0.622 4.901 4.120 0.265 0.000 0.279 690 V C 0.648 176.742 176.094 0.001 0.000 1.029 690 V CA -0.699 61.602 62.300 0.001 0.000 0.870 690 V CB 1.176 33.001 31.823 0.005 0.000 0.984 690 V HN 0.668 nan 8.190 nan 0.000 0.451 691 A N 4.130 126.950 122.820 -0.000 0.000 2.240 691 A HA 0.836 5.315 4.320 0.265 0.000 0.292 691 A C 0.084 177.669 177.584 0.001 0.000 1.121 691 A CA -0.047 51.990 52.037 0.000 0.000 0.851 691 A CB 0.505 19.504 19.000 -0.001 0.000 1.167 691 A HN 0.934 nan 8.150 nan 0.000 0.503 692 E N 0.000 120.201 120.200 0.001 0.000 2.725 692 E HA 0.000 4.509 4.350 0.265 0.000 0.291 692 E CA 0.000 56.401 56.400 0.002 0.000 0.976 692 E CB 0.000 29.701 29.700 0.002 0.000 0.812 692 E HN 0.000 nan 8.360 nan 0.000 0.440