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 1nuf_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 PXXXXXXXXX XXXXXXXXEP SIIGKLKVAG MLAVGKEVNL DATA SEQUENCE VLLLKNLSRD TKTVTVNMTA WTIIYNGTLV HEVWKDSATM SLDPEEEAEH DATA SEQUENCE PIKISYAQYE RYLKSDNMIR ITAVCKVPDE SEVVVERDII LDNPTLTLEV DATA SEQUENCE LNEARVRKPV NVQMLFSNPL DEPVRDCVLM VEGSGLLLGN LKIDVPTLGP DATA SEQUENCE KERSRVRFDI LPSRSGTKQL LADFSCNKFP AIKAMLSIDV AE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.577 177.584 -0.012 0.000 1.274 1 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 1 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 2 A N -0.438 122.372 122.820 -0.015 0.000 2.332 2 A HA 0.566 5.005 4.320 0.198 0.000 0.258 2 A C 0.138 177.709 177.584 -0.021 0.000 1.087 2 A CA -0.058 51.970 52.037 -0.016 0.000 0.802 2 A CB -0.123 18.864 19.000 -0.022 0.000 1.042 2 A HN 1.905 nan 8.150 nan 0.000 0.489 3 L N 1.200 122.411 121.223 -0.020 0.000 2.490 3 L HA 0.475 4.934 4.340 0.198 0.000 0.274 3 L C 0.598 177.444 176.870 -0.040 0.000 1.201 3 L CA 1.514 56.338 54.840 -0.026 0.000 0.869 3 L CB 0.364 42.411 42.059 -0.021 0.000 1.123 3 L HN 0.826 nan 8.230 nan 0.000 0.484 4 G N 3.632 112.408 108.800 -0.041 0.000 2.696 4 G HA2 0.529 4.608 3.960 0.198 0.000 0.295 4 G HA3 0.529 4.608 3.960 0.198 0.000 0.295 4 G C -1.668 173.202 174.900 -0.050 0.000 1.398 4 G CA -0.698 44.373 45.100 -0.049 0.000 0.920 4 G HN 0.484 nan 8.290 nan 0.000 0.492 5 V N 1.490 121.369 119.914 -0.059 0.000 2.439 5 V HA 0.163 4.402 4.120 0.198 0.000 0.271 5 V C 1.275 177.345 176.094 -0.039 0.000 1.040 5 V CA 0.177 62.443 62.300 -0.057 0.000 1.002 5 V CB 1.086 32.868 31.823 -0.067 0.000 1.000 5 V HN 0.946 nan 8.190 nan 0.000 0.477 6 Q N 3.057 122.836 119.800 -0.036 0.000 2.204 6 Q HA 0.083 4.542 4.340 0.198 0.000 0.198 6 Q C 0.791 176.780 176.000 -0.019 0.000 0.946 6 Q CA 0.980 56.769 55.803 -0.024 0.000 0.859 6 Q CB 0.633 29.357 28.738 -0.023 0.000 0.946 6 Q HN 0.985 nan 8.270 nan 0.000 0.474 7 S N -1.579 114.102 115.700 -0.031 0.000 2.636 7 S HA 0.519 5.108 4.470 0.198 0.000 0.268 7 S C -1.305 173.251 174.600 -0.073 0.000 1.159 7 S CA -1.007 57.175 58.200 -0.029 0.000 0.815 7 S CB 1.454 64.644 63.200 -0.017 0.000 1.130 7 S HN 0.122 nan 8.310 nan 0.000 0.471 8 I N 1.415 121.927 120.570 -0.096 0.000 2.692 8 I HA 0.454 4.743 4.170 0.198 0.000 0.293 8 I C -1.455 174.511 176.117 -0.252 0.000 1.200 8 I CA -0.426 60.727 61.300 -0.246 0.000 1.036 8 I CB 2.074 39.818 38.000 -0.428 0.000 1.258 8 I HN 1.032 nan 8.210 nan 0.000 0.421 9 N N 5.159 123.694 118.700 -0.275 0.000 2.479 9 N HA 0.236 5.095 4.740 0.198 0.000 0.261 9 N C -0.258 175.159 175.510 -0.155 0.000 0.979 9 N CA -0.506 52.465 53.050 -0.130 0.000 0.930 9 N CB 0.966 39.416 38.487 -0.060 0.000 1.172 9 N HN 0.523 nan 8.380 nan 0.000 0.499 10 W N 1.867 123.209 121.300 0.070 0.000 2.937 10 W HA 0.104 4.887 4.660 0.205 0.000 0.245 10 W C 0.668 177.243 176.519 0.093 0.000 1.306 10 W CA -0.177 57.220 57.345 0.087 0.000 1.470 10 W CB 0.090 29.597 29.460 0.078 0.000 1.132 10 W HN 0.556 nan 8.180 nan 0.000 0.675 11 Q N -0.314 119.637 119.800 0.252 0.000 2.434 11 Q HA -0.273 4.186 4.340 0.198 0.000 0.299 11 Q C 1.013 177.165 176.000 0.253 0.000 1.286 11 Q CA 0.851 56.784 55.803 0.217 0.000 0.872 11 Q CB -2.195 26.652 28.738 0.183 0.000 1.193 11 Q HN 0.292 nan 8.270 nan 0.000 0.466 12 T N -0.096 114.587 114.554 0.216 0.000 2.592 12 T HA -0.306 4.163 4.350 0.198 0.000 0.267 12 T C 1.833 176.592 174.700 0.099 0.000 1.060 12 T CA 2.000 64.179 62.100 0.133 0.000 1.167 12 T CB -0.279 68.650 68.868 0.101 0.000 0.863 12 T HN 0.692 nan 8.240 nan 0.000 0.431 13 A N 0.982 123.871 122.820 0.114 0.000 1.883 13 A HA -0.089 4.350 4.320 0.198 0.000 0.217 13 A C 2.081 179.723 177.584 0.098 0.000 1.186 13 A CA 1.958 54.050 52.037 0.091 0.000 0.624 13 A CB -1.149 17.909 19.000 0.097 0.000 0.822 13 A HN 0.519 nan 8.150 nan 0.000 0.444 14 F N 1.294 121.260 119.950 0.026 0.000 2.069 14 F HA -0.237 4.410 4.527 0.201 0.000 0.298 14 F C 2.160 177.969 175.800 0.014 0.000 1.113 14 F CA 2.262 60.275 58.000 0.021 0.000 1.214 14 F CB -0.197 38.821 39.000 0.030 0.000 0.978 14 F HN 0.214 nan 8.300 nan 0.000 0.474 15 N N 0.492 119.198 118.700 0.009 0.000 2.216 15 N HA -0.106 4.753 4.740 0.198 0.000 0.183 15 N C 1.940 177.335 175.510 -0.193 0.000 1.017 15 N CA 1.137 54.113 53.050 -0.124 0.000 0.861 15 N CB -0.393 38.102 38.487 0.012 0.000 0.986 15 N HN 0.397 nan 8.380 nan 0.000 0.428 16 R N 0.764 121.189 120.500 -0.125 0.000 2.096 16 R HA -0.049 4.410 4.340 0.198 0.000 0.235 16 R C 2.146 178.373 176.300 -0.121 0.000 1.127 16 R CA 0.792 56.837 56.100 -0.091 0.000 0.968 16 R CB -0.130 30.158 30.300 -0.020 0.000 0.861 16 R HN 0.255 nan 8.270 nan 0.000 0.440 17 Q N 0.611 120.313 119.800 -0.162 0.000 2.084 17 Q HA -0.114 4.345 4.340 0.198 0.000 0.202 17 Q C 1.910 177.691 176.000 -0.364 0.000 0.978 17 Q CA 1.990 57.672 55.803 -0.202 0.000 0.844 17 Q CB -0.045 28.592 28.738 -0.169 0.000 0.898 17 Q HN 0.343 nan 8.270 nan 0.000 0.426 18 A N -0.472 122.080 122.820 -0.447 0.000 2.014 18 A HA -0.120 4.319 4.320 0.198 0.000 0.218 18 A C 1.582 178.762 177.584 -0.673 0.000 1.163 18 A CA 0.897 52.619 52.037 -0.525 0.000 0.652 18 A CB -0.559 18.153 19.000 -0.480 0.000 0.808 18 A HN 0.460 nan 8.150 nan 0.000 0.449 19 H N -1.495 117.214 119.070 -0.601 0.000 2.539 19 H HA 0.037 4.711 4.556 0.195 0.000 0.269 19 H C -0.419 174.561 175.328 -0.579 0.000 0.980 19 H CA 0.317 56.051 56.048 -0.523 0.000 1.152 19 H CB 0.110 29.714 29.762 -0.264 0.000 1.407 19 H HN 0.631 nan 8.280 nan 0.000 0.564 20 H N 0.334 119.221 119.070 -0.305 0.000 2.748 20 H HA -0.116 4.557 4.556 0.194 0.000 0.322 20 H C 0.619 175.895 175.328 -0.088 0.000 1.208 20 H CA 1.171 57.000 56.048 -0.364 0.000 1.151 20 H CB -2.303 26.821 29.762 -1.064 0.000 1.505 20 H HN 0.533 nan 8.280 nan 0.000 0.429 21 T N -3.602 111.015 114.554 0.106 0.000 3.332 21 T HA 0.018 4.487 4.350 0.198 0.000 0.304 21 T C 0.992 175.869 174.700 0.296 0.000 0.971 21 T CA 0.140 62.454 62.100 0.356 0.000 0.954 21 T CB 0.439 69.512 68.868 0.342 0.000 1.175 21 T HN 0.345 nan 8.240 nan 0.000 0.519 22 D N 1.342 121.793 120.400 0.085 0.000 2.363 22 D HA 0.003 4.762 4.640 0.198 0.000 0.226 22 D C 1.375 177.652 176.300 -0.039 0.000 1.020 22 D CA -0.009 54.012 54.000 0.035 0.000 0.892 22 D CB 0.160 40.950 40.800 -0.017 0.000 0.900 22 D HN 0.330 nan 8.370 nan 0.000 0.531 23 K N -0.091 120.200 120.400 -0.180 0.000 2.262 23 K HA 0.061 4.499 4.320 0.198 0.000 0.200 23 K C 0.404 176.830 176.600 -0.289 0.000 1.049 23 K CA -0.110 55.872 56.287 -0.509 0.000 0.979 23 K CB 0.051 31.754 32.500 -1.329 0.000 0.773 23 K HN 0.126 nan 8.250 nan 0.000 0.474 24 F N 1.478 121.497 119.950 0.114 0.000 2.607 24 F HA -0.097 4.515 4.527 0.142 0.000 0.374 24 F C 2.000 177.877 175.800 0.128 0.000 1.104 24 F CA 0.211 58.364 58.000 0.254 0.000 1.296 24 F CB 0.544 39.681 39.000 0.227 0.000 1.085 24 F HN -0.048 nan 8.300 nan 0.000 0.584 25 S N 1.595 117.484 115.700 0.314 0.000 2.442 25 S HA -0.146 4.443 4.470 0.198 0.000 0.236 25 S C 1.237 175.931 174.600 0.157 0.000 1.007 25 S CA 0.726 59.038 58.200 0.187 0.000 0.965 25 S CB -0.228 63.071 63.200 0.165 0.000 0.773 25 S HN 0.641 nan 8.310 nan 0.000 0.504 26 S N 0.648 116.458 115.700 0.184 0.000 2.563 26 S HA 0.075 4.664 4.470 0.198 0.000 0.284 26 S C 1.037 175.686 174.600 0.081 0.000 1.331 26 S CA -0.268 57.997 58.200 0.107 0.000 1.047 26 S CB 0.492 63.736 63.200 0.072 0.000 0.859 26 S HN 0.520 nan 8.310 nan 0.000 0.514 27 Q N 1.806 121.634 119.800 0.047 0.000 2.424 27 Q HA 0.104 4.562 4.340 0.198 0.000 0.204 27 Q C 0.264 176.268 176.000 0.008 0.000 0.933 27 Q CA 0.406 56.230 55.803 0.034 0.000 0.929 27 Q CB 0.068 28.824 28.738 0.029 0.000 1.037 27 Q HN 0.748 nan 8.270 nan 0.000 0.511 28 E N 0.864 121.056 120.200 -0.014 0.000 2.410 28 E HA 0.058 4.527 4.350 0.198 0.000 0.255 28 E C -0.434 176.122 176.600 -0.073 0.000 1.194 28 E CA -0.331 56.034 56.400 -0.058 0.000 0.955 28 E CB 0.609 30.265 29.700 -0.072 0.000 0.988 28 E HN -0.071 nan 8.360 nan 0.000 0.461 29 L N 3.073 124.219 121.223 -0.127 0.000 2.334 29 L HA 0.149 4.608 4.340 0.198 0.000 0.286 29 L C -1.117 175.674 176.870 -0.133 0.000 1.108 29 L CA 0.078 54.828 54.840 -0.151 0.000 0.875 29 L CB -0.029 41.871 42.059 -0.264 0.000 1.246 29 L HN 0.286 nan 8.230 nan 0.000 0.439 30 I N 6.540 127.035 120.570 -0.124 0.000 2.315 30 I HA 0.336 4.625 4.170 0.198 0.000 0.291 30 I C 0.083 176.109 176.117 -0.150 0.000 1.006 30 I CA -0.279 60.945 61.300 -0.127 0.000 1.265 30 I CB 0.693 38.605 38.000 -0.147 0.000 1.387 30 I HN 0.522 nan 8.210 nan 0.000 0.475 31 L N 6.309 127.448 121.223 -0.142 0.000 2.283 31 L HA 0.648 5.107 4.340 0.198 0.000 0.259 31 L C 0.060 176.985 176.870 0.092 0.000 1.027 31 L CA -0.997 53.732 54.840 -0.186 0.000 0.828 31 L CB 2.153 43.866 42.059 -0.577 0.000 1.380 31 L HN 0.465 nan 8.230 nan 0.000 0.425 32 R N 0.340 121.051 120.500 0.353 0.000 2.670 32 R HA 0.448 4.907 4.340 0.198 0.000 0.289 32 R C -0.945 175.411 176.300 0.093 0.000 0.965 32 R CA -0.978 55.232 56.100 0.183 0.000 0.899 32 R CB 2.418 32.808 30.300 0.151 0.000 1.173 32 R HN 0.592 nan 8.270 nan 0.000 0.456 33 R N 0.306 120.827 120.500 0.036 0.000 2.734 33 R HA 0.228 4.687 4.340 0.198 0.000 0.266 33 R C 0.461 176.732 176.300 -0.049 0.000 1.044 33 R CA 0.555 56.627 56.100 -0.047 0.000 1.128 33 R CB 0.163 30.433 30.300 -0.051 0.000 1.010 33 R HN 0.790 nan 8.270 nan 0.000 0.461 34 G N 0.216 108.934 108.800 -0.138 0.000 2.168 34 G HA2 -0.357 3.722 3.960 0.198 0.000 0.257 34 G HA3 -0.357 3.722 3.960 0.198 0.000 0.257 34 G C -0.145 174.701 174.900 -0.090 0.000 0.997 34 G CA 0.786 45.815 45.100 -0.117 0.000 0.708 34 G HN 0.795 nan 8.290 nan 0.000 0.520 35 Q N -0.510 119.243 119.800 -0.079 0.000 2.331 35 Q HA 0.489 4.948 4.340 0.198 0.000 0.272 35 Q C -0.340 175.713 176.000 0.090 0.000 1.062 35 Q CA -0.934 54.820 55.803 -0.081 0.000 0.806 35 Q CB 0.969 29.529 28.738 -0.297 0.000 1.312 35 Q HN 0.235 nan 8.270 nan 0.000 0.431 36 N N 1.980 120.724 118.700 0.073 0.000 2.453 36 N HA 0.330 5.188 4.740 0.198 0.000 0.253 36 N C -1.131 174.620 175.510 0.401 0.000 1.252 36 N CA 0.605 53.732 53.050 0.128 0.000 0.917 36 N CB 0.325 38.826 38.487 0.023 0.000 1.117 36 N HN 0.411 nan 8.380 nan 0.000 0.442 37 F N -1.899 118.103 119.950 0.086 0.000 2.608 37 F HA 0.456 5.106 4.527 0.205 0.000 0.309 37 F C -0.657 175.176 175.800 0.055 0.000 1.103 37 F CA -1.124 56.914 58.000 0.064 0.000 0.954 37 F CB 1.264 40.181 39.000 -0.138 0.000 1.267 37 F HN 0.252 nan 8.300 nan 0.000 0.444 38 Q N 2.629 122.547 119.800 0.197 0.000 2.282 38 Q HA 0.761 5.220 4.340 0.198 0.000 0.260 38 Q C -1.317 174.727 176.000 0.072 0.000 0.964 38 Q CA -1.032 54.803 55.803 0.054 0.000 0.880 38 Q CB 2.408 31.188 28.738 0.069 0.000 1.286 38 Q HN 0.877 nan 8.270 nan 0.000 0.445 39 V N 1.154 121.042 119.914 -0.043 0.000 2.962 39 V HA 0.646 4.885 4.120 0.198 0.000 0.313 39 V C -1.019 175.006 176.094 -0.115 0.000 1.099 39 V CA -1.038 61.214 62.300 -0.080 0.000 0.971 39 V CB 1.845 33.559 31.823 -0.180 0.000 1.028 39 V HN 0.712 nan 8.190 nan 0.000 0.430 40 L N 3.560 124.700 121.223 -0.138 0.000 2.298 40 L HA 0.607 5.066 4.340 0.198 0.000 0.284 40 L C -0.327 176.462 176.870 -0.136 0.000 1.013 40 L CA -0.330 54.442 54.840 -0.113 0.000 0.824 40 L CB 1.700 43.704 42.059 -0.092 0.000 1.221 40 L HN 0.610 nan 8.230 nan 0.000 0.418 41 M N 4.218 123.758 119.600 -0.100 0.000 2.088 41 M HA 0.410 5.009 4.480 0.198 0.000 0.346 41 M C -0.900 175.359 176.300 -0.069 0.000 1.111 41 M CA -0.794 54.447 55.300 -0.098 0.000 1.017 41 M CB 1.592 34.152 32.600 -0.067 0.000 1.568 41 M HN 0.400 nan 8.290 nan 0.000 0.445 42 I N 5.631 126.160 120.570 -0.069 0.000 2.291 42 I HA 0.209 4.498 4.170 0.198 0.000 0.292 42 I C 0.028 176.118 176.117 -0.044 0.000 1.064 42 I CA 0.121 61.391 61.300 -0.049 0.000 1.269 42 I CB 0.333 38.308 38.000 -0.041 0.000 1.418 42 I HN 0.573 nan 8.210 nan 0.000 0.485 43 M N 4.632 124.209 119.600 -0.038 0.000 2.371 43 M HA 0.269 4.867 4.480 0.198 0.000 0.301 43 M C 1.448 177.732 176.300 -0.028 0.000 1.173 43 M CA -0.206 55.072 55.300 -0.036 0.000 1.020 43 M CB 0.459 33.038 32.600 -0.034 0.000 1.490 43 M HN 0.655 nan 8.290 nan 0.000 0.485 44 N N 0.016 118.700 118.700 -0.027 0.000 2.494 44 N HA -0.062 4.797 4.740 0.198 0.000 0.182 44 N C -0.007 175.492 175.510 -0.018 0.000 1.076 44 N CA 0.392 53.429 53.050 -0.021 0.000 0.908 44 N CB 0.435 38.909 38.487 -0.021 0.000 0.967 44 N HN 0.644 nan 8.380 nan 0.000 0.449 45 K N -0.929 119.460 120.400 -0.019 0.000 2.308 45 K HA 0.496 4.935 4.320 0.198 0.000 0.268 45 K C -0.569 176.023 176.600 -0.015 0.000 0.992 45 K CA -1.054 55.224 56.287 -0.015 0.000 0.836 45 K CB 0.543 33.035 32.500 -0.013 0.000 1.507 45 K HN -0.112 nan 8.250 nan 0.000 0.394 46 G N 0.516 109.309 108.800 -0.012 0.000 2.504 46 G HA2 0.444 4.523 3.960 0.198 0.000 0.288 46 G HA3 0.444 4.523 3.960 0.198 0.000 0.288 46 G C -1.006 173.888 174.900 -0.009 0.000 1.182 46 G CA -0.988 44.105 45.100 -0.010 0.000 0.894 46 G HN 0.448 nan 8.290 nan 0.000 0.521 47 L N 0.533 121.752 121.223 -0.007 0.000 2.334 47 L HA 0.670 5.128 4.340 0.198 0.000 0.277 47 L C 0.770 177.639 176.870 -0.001 0.000 1.075 47 L CA -0.527 54.311 54.840 -0.003 0.000 0.804 47 L CB 1.126 43.184 42.059 -0.001 0.000 1.174 47 L HN 0.598 nan 8.230 nan 0.000 0.438 48 G N 0.502 109.302 108.800 0.001 0.000 2.432 48 G HA2 0.327 4.406 3.960 0.198 0.000 0.331 48 G HA3 0.327 4.406 3.960 0.198 0.000 0.331 48 G C 0.646 175.547 174.900 0.001 0.000 1.170 48 G CA 0.118 45.218 45.100 0.001 0.000 0.943 48 G HN 0.763 nan 8.290 nan 0.000 0.483 49 S N 0.565 116.265 115.700 -0.001 0.000 2.442 49 S HA -0.172 4.417 4.470 0.198 0.000 0.236 49 S C 1.782 176.378 174.600 -0.008 0.000 1.007 49 S CA 1.375 59.573 58.200 -0.004 0.000 0.965 49 S CB -0.271 62.926 63.200 -0.005 0.000 0.773 49 S HN 0.727 nan 8.310 nan 0.000 0.504 50 N N 1.632 120.330 118.700 -0.004 0.000 2.376 50 N HA -0.021 4.838 4.740 0.198 0.000 0.177 50 N C 0.424 175.934 175.510 0.001 0.000 1.024 50 N CA 0.292 53.339 53.050 -0.004 0.000 0.893 50 N CB -0.305 38.184 38.487 0.003 0.000 0.980 50 N HN 0.572 nan 8.380 nan 0.000 0.439 51 E N 0.473 120.680 120.200 0.013 0.000 2.620 51 E HA 0.313 4.782 4.350 0.198 0.000 0.255 51 E C 0.044 176.660 176.600 0.028 0.000 1.346 51 E CA -0.511 55.911 56.400 0.037 0.000 1.013 51 E CB 0.908 30.627 29.700 0.033 0.000 1.131 51 E HN 0.158 nan 8.360 nan 0.000 0.608 52 R N 0.339 120.884 120.500 0.075 0.000 2.736 52 R HA 0.234 4.693 4.340 0.198 0.000 0.250 52 R C -2.152 174.226 176.300 0.130 0.000 1.098 52 R CA -0.426 55.711 56.100 0.061 0.000 0.978 52 R CB 0.599 30.865 30.300 -0.058 0.000 1.263 52 R HN 0.470 nan 8.270 nan 0.000 0.460 53 L N 3.194 124.448 121.223 0.052 0.000 2.341 53 L HA 0.571 5.030 4.340 0.198 0.000 0.278 53 L C -0.276 176.559 176.870 -0.059 0.000 1.005 53 L CA -0.841 53.969 54.840 -0.050 0.000 0.818 53 L CB 2.085 44.048 42.059 -0.161 0.000 1.259 53 L HN 0.598 nan 8.230 nan 0.000 0.418 54 E N 2.904 123.021 120.200 -0.137 0.000 2.218 54 E HA 0.397 4.866 4.350 0.198 0.000 0.263 54 E C -1.367 175.020 176.600 -0.354 0.000 0.879 54 E CA -0.580 55.745 56.400 -0.124 0.000 0.762 54 E CB 2.400 32.123 29.700 0.038 0.000 1.166 54 E HN 0.242 nan 8.360 nan 0.000 0.415 55 F N 2.368 121.998 119.950 -0.533 0.000 2.389 55 F HA 0.376 5.022 4.527 0.198 0.000 0.337 55 F C 0.695 176.097 175.800 -0.662 0.000 1.112 55 F CA -0.291 57.295 58.000 -0.690 0.000 1.192 55 F CB 0.710 39.053 39.000 -1.094 0.000 1.185 55 F HN 0.251 nan 8.300 nan 0.000 0.552 56 I N 3.869 124.362 120.570 -0.128 0.000 2.468 56 I HA 0.379 4.668 4.170 0.198 0.000 0.285 56 I C -1.062 175.103 176.117 0.079 0.000 1.039 56 I CA -0.959 60.323 61.300 -0.029 0.000 1.074 56 I CB 1.587 39.570 38.000 -0.027 0.000 1.228 56 I HN 0.309 nan 8.210 nan 0.000 0.436 57 V N 2.849 122.806 119.914 0.072 0.000 2.715 57 V HA 0.965 5.204 4.120 0.198 0.000 0.310 57 V C -0.132 175.991 176.094 0.049 0.000 1.054 57 V CA -0.445 61.887 62.300 0.054 0.000 0.928 57 V CB 1.677 33.317 31.823 -0.305 0.000 1.007 57 V HN 0.835 nan 8.190 nan 0.000 0.437 58 S N 1.119 116.889 115.700 0.116 0.000 2.552 58 S HA 0.766 5.354 4.470 0.198 0.000 0.272 58 S C -0.734 173.726 174.600 -0.234 0.000 1.150 58 S CA -0.381 57.812 58.200 -0.012 0.000 0.849 58 S CB 1.751 64.935 63.200 -0.026 0.000 1.113 58 S HN 1.445 nan 8.310 nan 0.000 0.458 59 T N 0.349 114.668 114.554 -0.392 0.000 2.916 59 T HA 0.788 5.257 4.350 0.198 0.000 0.305 59 T C 0.123 174.663 174.700 -0.267 0.000 1.119 59 T CA 0.989 62.761 62.100 -0.547 0.000 1.008 59 T CB 0.822 68.970 68.868 -1.199 0.000 1.129 59 T HN 2.553 nan 8.240 nan 0.000 0.480 60 G N 4.288 112.974 108.800 -0.190 0.000 2.756 60 G HA2 -0.077 4.002 3.960 0.198 0.000 0.678 60 G HA3 -0.077 4.002 3.960 0.198 0.000 0.678 60 G C -1.976 172.875 174.900 -0.082 0.000 1.349 60 G CA -0.198 44.873 45.100 -0.048 0.000 0.847 60 G HN 0.632 nan 8.290 nan 0.000 0.548 61 P HA 0.075 nan 4.420 nan 0.000 0.237 61 P C -0.133 176.711 177.300 -0.759 0.000 1.178 61 P CA 1.191 64.053 63.100 -0.396 0.000 0.766 61 P CB 0.060 31.512 31.700 -0.414 0.000 0.876 62 Y N -0.204 120.082 120.300 -0.023 0.000 2.477 62 Y HA 0.381 5.050 4.550 0.199 0.000 0.340 62 Y C -2.394 173.489 175.900 -0.028 0.000 0.987 62 Y CA -2.891 55.191 58.100 -0.030 0.000 1.127 62 Y CB 0.171 38.607 38.460 -0.041 0.000 1.139 62 Y HN -0.091 nan 8.280 nan 0.000 0.637 63 P HA -0.037 nan 4.420 nan 0.000 0.256 63 P C -0.008 177.325 177.300 0.054 0.000 1.173 63 P CA 0.671 63.783 63.100 0.019 0.000 0.768 63 P CB 0.708 32.399 31.700 -0.016 0.000 0.758 64 S N 2.513 118.248 115.700 0.058 0.000 2.561 64 S HA 0.253 4.842 4.470 0.198 0.000 0.303 64 S C 1.013 175.651 174.600 0.064 0.000 1.110 64 S CA -0.587 57.649 58.200 0.060 0.000 1.034 64 S CB 0.933 64.166 63.200 0.056 0.000 1.010 64 S HN 0.194 nan 8.310 nan 0.000 0.482 65 E N 2.295 122.534 120.200 0.065 0.000 2.058 65 E HA -0.116 4.353 4.350 0.198 0.000 0.194 65 E C 1.821 178.471 176.600 0.084 0.000 0.997 65 E CA 1.969 58.418 56.400 0.081 0.000 0.801 65 E CB -0.086 29.661 29.700 0.078 0.000 0.746 65 E HN 0.764 nan 8.360 nan 0.000 0.450 66 S N -0.727 115.012 115.700 0.065 0.000 2.660 66 S HA 0.211 4.799 4.470 0.198 0.000 0.223 66 S C 1.411 176.045 174.600 0.055 0.000 0.963 66 S CA 0.419 58.654 58.200 0.058 0.000 0.932 66 S CB 0.464 63.689 63.200 0.042 0.000 0.775 66 S HN 0.252 nan 8.310 nan 0.000 0.531 67 A N 0.443 123.301 122.820 0.062 0.000 2.469 67 A HA 0.597 5.036 4.320 0.198 0.000 0.245 67 A C 1.125 178.759 177.584 0.083 0.000 1.221 67 A CA -0.028 52.042 52.037 0.056 0.000 0.946 67 A CB -0.152 18.872 19.000 0.040 0.000 1.049 67 A HN 0.317 nan 8.150 nan 0.000 0.529 68 M N -0.983 118.688 119.600 0.118 0.000 2.931 68 M HA -0.180 4.419 4.480 0.198 0.000 0.190 68 M C 1.135 177.557 176.300 0.205 0.000 0.626 68 M CA 1.731 57.142 55.300 0.184 0.000 0.722 68 M CB -2.915 29.793 32.600 0.180 0.000 2.597 68 M HN 0.751 nan 8.290 nan 0.000 0.299 69 T N -2.116 112.508 114.554 0.118 0.000 3.219 69 T HA 0.376 4.845 4.350 0.198 0.000 0.249 69 T C 0.365 175.090 174.700 0.041 0.000 1.099 69 T CA 0.414 62.546 62.100 0.054 0.000 0.988 69 T CB 0.578 69.451 68.868 0.009 0.000 0.999 69 T HN 0.509 nan 8.240 nan 0.000 0.550 70 K N -0.067 120.388 120.400 0.092 0.000 2.583 70 K HA 0.582 5.021 4.320 0.198 0.000 0.260 70 K C -2.264 174.379 176.600 0.072 0.000 0.931 70 K CA -0.607 55.715 56.287 0.059 0.000 0.849 70 K CB 1.771 34.297 32.500 0.044 0.000 1.347 70 K HN 0.149 nan 8.250 nan 0.000 0.425 71 A N 2.515 125.350 122.820 0.025 0.000 2.520 71 A HA 0.684 5.123 4.320 0.198 0.000 0.298 71 A C -1.639 176.070 177.584 0.209 0.000 1.051 71 A CA -0.653 51.442 52.037 0.096 0.000 0.690 71 A CB 1.923 20.913 19.000 -0.015 0.000 1.281 71 A HN 0.273 nan 8.150 nan 0.000 0.402 72 V N 2.282 122.358 119.914 0.270 0.000 2.444 72 V HA 0.742 4.981 4.120 0.198 0.000 0.294 72 V C -1.136 175.169 176.094 0.350 0.000 1.022 72 V CA -0.388 62.029 62.300 0.196 0.000 0.850 72 V CB 0.725 32.611 31.823 0.106 0.000 0.992 72 V HN 0.873 nan 8.190 nan 0.000 0.426 73 F N 3.776 123.829 119.950 0.171 0.000 2.578 73 F HA 0.886 5.532 4.527 0.197 0.000 0.311 73 F C -3.139 172.800 175.800 0.231 0.000 1.094 73 F CA -3.682 54.432 58.000 0.191 0.000 0.923 73 F CB 1.360 40.484 39.000 0.208 0.000 1.230 73 F HN 0.217 nan 8.300 nan 0.000 0.450 74 P HA 0.165 nan 4.420 nan 0.000 0.276 74 P C -0.417 177.027 177.300 0.241 0.000 1.235 74 P CA -0.328 62.885 63.100 0.188 0.000 0.772 74 P CB 1.105 32.883 31.700 0.130 0.000 0.871 75 L N 3.171 124.535 121.223 0.234 0.000 2.565 75 L HA 0.103 4.562 4.340 0.198 0.000 0.275 75 L C 0.035 176.990 176.870 0.142 0.000 1.137 75 L CA 0.567 55.558 54.840 0.251 0.000 0.915 75 L CB -0.180 42.030 42.059 0.251 0.000 1.232 75 L HN 0.434 nan 8.230 nan 0.000 0.473 76 S N 2.919 118.692 115.700 0.121 0.000 2.745 76 S HA 0.330 4.919 4.470 0.198 0.000 0.292 76 S C 0.856 175.486 174.600 0.049 0.000 1.127 76 S CA -0.649 57.597 58.200 0.076 0.000 1.007 76 S CB 1.366 64.611 63.200 0.075 0.000 1.165 76 S HN 0.830 nan 8.310 nan 0.000 0.544 77 N N -0.115 118.605 118.700 0.033 0.000 2.250 77 N HA 0.179 5.038 4.740 0.198 0.000 0.190 77 N C 0.263 175.782 175.510 0.015 0.000 1.116 77 N CA -0.027 53.035 53.050 0.020 0.000 0.881 77 N CB 0.294 38.790 38.487 0.015 0.000 1.006 77 N HN 0.526 nan 8.380 nan 0.000 0.491 78 G N -0.006 108.806 108.800 0.019 0.000 2.619 78 G HA2 0.478 4.557 3.960 0.198 0.000 0.296 78 G HA3 0.478 4.557 3.960 0.198 0.000 0.296 78 G C -1.076 173.834 174.900 0.015 0.000 1.334 78 G CA -0.515 44.593 45.100 0.013 0.000 0.934 78 G HN 0.215 nan 8.290 nan 0.000 0.476 79 S N -0.358 115.344 115.700 0.004 0.000 2.584 79 S HA 0.691 5.280 4.470 0.198 0.000 0.273 79 S C 0.739 175.342 174.600 0.005 0.000 1.311 79 S CA 0.318 58.516 58.200 -0.003 0.000 1.034 79 S CB 1.432 64.618 63.200 -0.023 0.000 0.939 79 S HN 1.451 nan 8.310 nan 0.000 0.513 80 S N 2.695 118.401 115.700 0.010 0.000 2.694 80 S HA 0.873 5.462 4.470 0.198 0.000 0.286 80 S C 0.507 175.105 174.600 -0.003 0.000 1.080 80 S CA -0.468 57.743 58.200 0.019 0.000 0.953 80 S CB 0.228 63.459 63.200 0.052 0.000 1.313 80 S HN 1.208 nan 8.310 nan 0.000 0.555 81 G N -1.539 107.266 108.800 0.008 0.000 2.488 81 G HA2 0.576 4.654 3.960 0.198 0.000 0.318 81 G HA3 0.576 4.654 3.960 0.198 0.000 0.318 81 G C 0.746 175.636 174.900 -0.017 0.000 1.188 81 G CA -0.242 44.853 45.100 -0.010 0.000 0.944 81 G HN 1.721 nan 8.290 nan 0.000 0.495 82 G N -0.539 108.231 108.800 -0.050 0.000 2.596 82 G HA2 -0.274 3.804 3.960 0.198 0.000 0.295 82 G HA3 -0.274 3.804 3.960 0.198 0.000 0.295 82 G C 0.124 174.915 174.900 -0.182 0.000 1.240 82 G CA 0.573 45.627 45.100 -0.077 0.000 0.985 82 G HN 0.792 nan 8.290 nan 0.000 0.555 83 W N 1.834 122.989 121.300 -0.242 0.000 2.202 83 W HA 0.532 5.309 4.660 0.195 0.000 0.332 83 W C 0.774 176.910 176.519 -0.638 0.000 1.263 83 W CA 0.719 57.706 57.345 -0.597 0.000 1.223 83 W CB 1.234 30.123 29.460 -0.951 0.000 1.128 83 W HN 1.047 nan 8.180 nan 0.000 0.573 84 S N 0.787 116.207 115.700 -0.465 0.000 2.565 84 S HA 0.814 5.403 4.470 0.198 0.000 0.274 84 S C -1.226 173.396 174.600 0.037 0.000 1.144 84 S CA -1.266 56.888 58.200 -0.077 0.000 0.849 84 S CB 1.253 64.437 63.200 -0.026 0.000 1.103 84 S HN 0.829 nan 8.310 nan 0.000 0.455 85 A N 1.254 124.211 122.820 0.228 0.000 2.343 85 A HA 0.834 5.273 4.320 0.198 0.000 0.316 85 A C -0.995 176.610 177.584 0.035 0.000 1.104 85 A CA -0.861 51.193 52.037 0.029 0.000 0.768 85 A CB 1.378 20.351 19.000 -0.045 0.000 1.213 85 A HN 1.160 nan 8.150 nan 0.000 0.456 86 V N 3.311 123.205 119.914 -0.034 0.000 2.444 86 V HA 0.307 4.546 4.120 0.198 0.000 0.294 86 V C -0.610 175.477 176.094 -0.011 0.000 1.022 86 V CA -0.533 61.762 62.300 -0.009 0.000 0.850 86 V CB 1.422 33.230 31.823 -0.026 0.000 0.992 86 V HN 0.834 nan 8.190 nan 0.000 0.426 87 L N 5.329 126.562 121.223 0.016 0.000 2.385 87 L HA 0.326 4.785 4.340 0.198 0.000 0.281 87 L C 1.060 177.928 176.870 -0.002 0.000 1.106 87 L CA 0.941 55.789 54.840 0.013 0.000 0.856 87 L CB 0.819 42.894 42.059 0.028 0.000 1.186 87 L HN 0.743 nan 8.230 nan 0.000 0.453 88 Q N 4.199 123.990 119.800 -0.015 0.000 2.391 88 Q HA 0.489 4.948 4.340 0.198 0.000 0.211 88 Q C -0.065 175.925 176.000 -0.017 0.000 0.908 88 Q CA 0.562 56.354 55.803 -0.018 0.000 0.920 88 Q CB 0.589 29.311 28.738 -0.028 0.000 1.056 88 Q HN 0.780 nan 8.270 nan 0.000 0.523 89 A N 0.686 123.495 122.820 -0.018 0.000 2.594 89 A HA 0.502 4.941 4.320 0.198 0.000 0.296 89 A C -1.252 176.321 177.584 -0.017 0.000 1.056 89 A CA -0.711 51.315 52.037 -0.018 0.000 0.693 89 A CB 1.292 20.276 19.000 -0.025 0.000 1.278 89 A HN 0.057 nan 8.150 nan 0.000 0.408 90 S N 1.724 117.416 115.700 -0.014 0.000 2.524 90 S HA 0.414 5.003 4.470 0.198 0.000 0.227 90 S C -1.046 173.545 174.600 -0.015 0.000 1.304 90 S CA -0.828 57.364 58.200 -0.014 0.000 1.185 90 S CB 0.305 63.500 63.200 -0.008 0.000 1.104 90 S HN 0.521 nan 8.310 nan 0.000 0.475 91 N N 2.863 121.551 118.700 -0.019 0.000 2.602 91 N HA 0.394 5.253 4.740 0.198 0.000 0.238 91 N C 1.273 176.772 175.510 -0.017 0.000 1.084 91 N CA 0.763 53.802 53.050 -0.018 0.000 0.952 91 N CB 0.773 39.246 38.487 -0.022 0.000 1.244 91 N HN 0.991 nan 8.380 nan 0.000 0.512 92 G N 3.863 112.654 108.800 -0.014 0.000 2.620 92 G HA2 -0.453 3.626 3.960 0.198 0.000 0.315 92 G HA3 -0.453 3.626 3.960 0.198 0.000 0.315 92 G C 1.010 175.901 174.900 -0.015 0.000 1.179 92 G CA 0.632 45.724 45.100 -0.014 0.000 0.971 92 G HN 0.506 nan 8.290 nan 0.000 0.544 93 N N 1.016 119.706 118.700 -0.017 0.000 2.333 93 N HA 0.195 5.054 4.740 0.198 0.000 0.178 93 N C 0.980 176.476 175.510 -0.024 0.000 1.018 93 N CA 1.370 54.409 53.050 -0.019 0.000 0.882 93 N CB 0.028 38.503 38.487 -0.019 0.000 0.984 93 N HN 0.570 nan 8.380 nan 0.000 0.434 94 T N 1.376 115.915 114.554 -0.026 0.000 2.869 94 T HA 0.403 4.872 4.350 0.198 0.000 0.295 94 T C -0.006 174.676 174.700 -0.030 0.000 0.987 94 T CA -0.247 61.833 62.100 -0.032 0.000 1.109 94 T CB 0.792 69.638 68.868 -0.036 0.000 0.932 94 T HN -0.021 nan 8.240 nan 0.000 0.518 95 L N 3.011 124.214 121.223 -0.032 0.000 2.325 95 L HA 0.392 4.850 4.340 0.198 0.000 0.281 95 L C 0.361 177.211 176.870 -0.033 0.000 1.004 95 L CA -0.824 54.002 54.840 -0.023 0.000 0.823 95 L CB 1.588 43.643 42.059 -0.007 0.000 1.236 95 L HN 0.558 nan 8.230 nan 0.000 0.415 96 T N 4.806 119.338 114.554 -0.036 0.000 2.728 96 T HA 0.566 5.035 4.350 0.198 0.000 0.296 96 T C -0.012 174.661 174.700 -0.045 0.000 0.940 96 T CA 0.009 62.079 62.100 -0.051 0.000 1.013 96 T CB 0.330 69.165 68.868 -0.055 0.000 0.912 96 T HN 0.273 nan 8.240 nan 0.000 0.484 97 I N 2.109 122.642 120.570 -0.062 0.000 2.569 97 I HA 0.437 4.726 4.170 0.198 0.000 0.296 97 I C 0.154 176.181 176.117 -0.150 0.000 1.028 97 I CA -0.792 60.459 61.300 -0.082 0.000 1.082 97 I CB 2.167 40.135 38.000 -0.054 0.000 1.264 97 I HN 0.442 nan 8.210 nan 0.000 0.429 98 S N 6.405 122.006 115.700 -0.165 0.000 2.456 98 S HA 0.664 5.253 4.470 0.198 0.000 0.316 98 S C -0.651 173.752 174.600 -0.327 0.000 1.089 98 S CA -0.488 57.580 58.200 -0.219 0.000 1.101 98 S CB 0.451 63.578 63.200 -0.121 0.000 0.995 98 S HN 0.390 nan 8.310 nan 0.000 0.468 99 I N 3.777 123.989 120.570 -0.597 0.000 2.525 99 I HA 0.538 4.827 4.170 0.198 0.000 0.301 99 I C -0.111 175.669 176.117 -0.561 0.000 0.992 99 I CA -0.585 60.310 61.300 -0.674 0.000 1.162 99 I CB 2.235 39.603 38.000 -1.054 0.000 1.332 99 I HN 0.707 nan 8.210 nan 0.000 0.458 100 S N 2.581 118.091 115.700 -0.316 0.000 2.540 100 S HA 0.654 5.243 4.470 0.198 0.000 0.275 100 S C -0.643 173.698 174.600 -0.431 0.000 1.123 100 S CA -0.755 57.302 58.200 -0.237 0.000 0.907 100 S CB 1.803 64.887 63.200 -0.194 0.000 1.081 100 S HN 0.664 nan 8.310 nan 0.000 0.476 101 S N 1.370 116.706 115.700 -0.607 0.000 2.638 101 S HA 0.802 5.391 4.470 0.198 0.000 0.298 101 S C -3.013 171.126 174.600 -0.767 0.000 1.111 101 S CA -1.651 55.753 58.200 -1.328 0.000 1.027 101 S CB 1.073 63.410 63.200 -1.438 0.000 1.064 101 S HN 0.663 nan 8.310 nan 0.000 0.525 102 P HA 0.259 nan 4.420 nan 0.000 0.279 102 P C 0.513 177.685 177.300 -0.213 0.000 1.239 102 P CA -0.353 62.542 63.100 -0.340 0.000 0.789 102 P CB 1.042 32.609 31.700 -0.221 0.000 0.933 103 A N 3.142 125.894 122.820 -0.113 0.000 2.186 103 A HA -0.130 4.309 4.320 0.198 0.000 0.219 103 A C 1.544 179.139 177.584 0.018 0.000 1.159 103 A CA 1.789 53.805 52.037 -0.035 0.000 0.680 103 A CB -1.147 17.848 19.000 -0.008 0.000 0.787 103 A HN 0.627 nan 8.150 nan 0.000 0.467 104 S N -1.178 114.526 115.700 0.007 0.000 2.588 104 S HA 0.647 5.236 4.470 0.198 0.000 0.245 104 S C 0.447 175.088 174.600 0.069 0.000 1.021 104 S CA 0.031 58.265 58.200 0.056 0.000 1.006 104 S CB -0.228 63.005 63.200 0.055 0.000 0.830 104 S HN 0.736 nan 8.310 nan 0.000 0.468 105 A N 2.511 125.355 122.820 0.040 0.000 2.388 105 A HA 0.638 5.076 4.320 0.198 0.000 0.257 105 A C -2.635 175.036 177.584 0.145 0.000 1.095 105 A CA -1.564 50.551 52.037 0.130 0.000 0.791 105 A CB -0.268 18.784 19.000 0.086 0.000 1.029 105 A HN 0.288 nan 8.150 nan 0.000 0.489 106 P HA 0.199 nan 4.420 nan 0.000 0.268 106 P C -0.235 177.143 177.300 0.130 0.000 1.205 106 P CA 0.109 63.285 63.100 0.127 0.000 0.771 106 P CB 0.383 32.150 31.700 0.112 0.000 0.858 107 I N -0.392 120.130 120.570 -0.081 0.000 2.612 107 I HA 0.847 5.136 4.170 0.198 0.000 0.295 107 I C 0.592 176.703 176.117 -0.010 0.000 1.011 107 I CA -0.205 61.018 61.300 -0.127 0.000 1.326 107 I CB 0.906 38.595 38.000 -0.518 0.000 1.427 107 I HN 0.573 nan 8.210 nan 0.000 0.537 108 G N 4.160 112.987 108.800 0.045 0.000 2.350 108 G HA2 0.103 4.182 3.960 0.198 0.000 0.282 108 G HA3 0.103 4.182 3.960 0.198 0.000 0.282 108 G C -1.268 173.627 174.900 -0.007 0.000 1.314 108 G CA -1.198 43.889 45.100 -0.023 0.000 0.915 108 G HN 0.773 nan 8.290 nan 0.000 0.499 109 R N -0.163 120.266 120.500 -0.118 0.000 2.298 109 R HA 0.549 5.008 4.340 0.198 0.000 0.310 109 R C -0.949 175.199 176.300 -0.252 0.000 1.068 109 R CA -0.055 55.954 56.100 -0.153 0.000 0.957 109 R CB 0.644 30.854 30.300 -0.151 0.000 1.003 109 R HN 0.461 nan 8.270 nan 0.000 0.454 110 Y N -0.063 119.919 120.300 -0.531 0.000 2.650 110 Y HA 0.411 5.078 4.550 0.195 0.000 0.331 110 Y C 0.530 176.130 175.900 -0.500 0.000 1.082 110 Y CA -0.616 57.138 58.100 -0.577 0.000 1.171 110 Y CB 2.334 40.235 38.460 -0.932 0.000 1.326 110 Y HN 0.401 nan 8.280 nan 0.000 0.513 111 T N 2.330 116.826 114.554 -0.095 0.000 2.876 111 T HA 0.529 4.998 4.350 0.198 0.000 0.289 111 T C -1.189 173.595 174.700 0.141 0.000 1.014 111 T CA -0.731 61.365 62.100 -0.007 0.000 0.986 111 T CB 1.288 70.149 68.868 -0.013 0.000 1.021 111 T HN 0.528 nan 8.240 nan 0.000 0.458 112 M N 2.677 122.430 119.600 0.255 0.000 2.393 112 M HA 0.779 5.378 4.480 0.198 0.000 0.316 112 M C -1.401 175.060 176.300 0.269 0.000 1.087 112 M CA -0.526 54.998 55.300 0.373 0.000 0.937 112 M CB 1.243 34.233 32.600 0.651 0.000 1.668 112 M HN 0.798 nan 8.290 nan 0.000 0.438 113 A N 3.684 126.614 122.820 0.183 0.000 2.527 113 A HA 0.892 5.331 4.320 0.198 0.000 0.293 113 A C -2.274 175.281 177.584 -0.048 0.000 1.117 113 A CA -0.704 51.374 52.037 0.069 0.000 0.723 113 A CB 1.921 20.934 19.000 0.021 0.000 1.313 113 A HN 0.788 nan 8.150 nan 0.000 0.411 114 L N 0.301 121.438 121.223 -0.143 0.000 2.409 114 L HA 0.602 5.061 4.340 0.198 0.000 0.272 114 L C -0.379 176.343 176.870 -0.247 0.000 0.980 114 L CA -0.055 54.593 54.840 -0.321 0.000 0.826 114 L CB 1.977 43.800 42.059 -0.393 0.000 1.268 114 L HN 0.806 nan 8.230 nan 0.000 0.407 115 Q N 5.472 125.116 119.800 -0.260 0.000 2.400 115 Q HA 0.560 5.019 4.340 0.198 0.000 0.255 115 Q C -1.463 174.397 176.000 -0.234 0.000 1.008 115 Q CA -0.423 55.238 55.803 -0.237 0.000 0.841 115 Q CB 0.887 29.498 28.738 -0.212 0.000 1.220 115 Q HN 0.750 nan 8.270 nan 0.000 0.474 116 I N 4.106 124.535 120.570 -0.235 0.000 2.331 116 I HA 0.269 4.558 4.170 0.198 0.000 0.292 116 I C -0.677 175.328 176.117 -0.187 0.000 0.998 116 I CA -0.561 60.648 61.300 -0.152 0.000 1.267 116 I CB 0.650 38.578 38.000 -0.120 0.000 1.386 116 I HN 0.564 nan 8.210 nan 0.000 0.476 117 F N 4.755 124.663 119.950 -0.070 0.000 2.391 117 F HA 0.470 5.115 4.527 0.198 0.000 0.359 117 F C 0.544 176.319 175.800 -0.042 0.000 1.122 117 F CA -0.062 57.909 58.000 -0.048 0.000 1.120 117 F CB 1.434 40.410 39.000 -0.040 0.000 1.142 117 F HN 0.375 nan 8.300 nan 0.000 0.483 118 S N 3.595 119.363 115.700 0.112 0.000 2.605 118 S HA 0.288 4.877 4.470 0.198 0.000 0.279 118 S C -1.018 173.604 174.600 0.037 0.000 1.166 118 S CA -0.579 57.657 58.200 0.061 0.000 0.975 118 S CB 0.638 63.851 63.200 0.022 0.000 1.111 118 S HN 0.711 nan 8.310 nan 0.000 0.465 119 Q N 2.829 122.652 119.800 0.038 0.000 2.459 119 Q HA -0.181 4.278 4.340 0.198 0.000 0.322 119 Q C 0.964 176.980 176.000 0.026 0.000 1.427 119 Q CA 1.032 56.849 55.803 0.024 0.000 0.861 119 Q CB -1.854 26.890 28.738 0.010 0.000 1.137 119 Q HN 1.939 nan 8.270 nan 0.000 0.394 120 G N -2.021 106.806 108.800 0.044 0.000 2.196 120 G HA2 -0.320 3.758 3.960 0.198 0.000 0.268 120 G HA3 -0.320 3.758 3.960 0.198 0.000 0.268 120 G C 0.417 175.338 174.900 0.036 0.000 0.975 120 G CA 0.508 45.634 45.100 0.044 0.000 0.648 120 G HN 0.975 nan 8.290 nan 0.000 0.538 121 G N -1.243 107.572 108.800 0.024 0.000 2.932 121 G HA2 0.796 4.875 3.960 0.198 0.000 0.283 121 G HA3 0.796 4.875 3.960 0.198 0.000 0.283 121 G C -0.858 174.002 174.900 -0.067 0.000 1.336 121 G CA -0.889 44.201 45.100 -0.016 0.000 1.056 121 G HN 0.689 nan 8.290 nan 0.000 0.522 122 I N 0.040 120.530 120.570 -0.133 0.000 2.827 122 I HA 0.505 4.794 4.170 0.198 0.000 0.298 122 I C -0.503 175.491 176.117 -0.204 0.000 1.235 122 I CA -0.728 60.413 61.300 -0.266 0.000 1.021 122 I CB 2.703 40.473 38.000 -0.383 0.000 1.259 122 I HN 0.732 nan 8.210 nan 0.000 0.427 123 S N 2.550 118.113 115.700 -0.228 0.000 2.570 123 S HA 0.780 5.369 4.470 0.198 0.000 0.270 123 S C -1.134 173.362 174.600 -0.174 0.000 1.149 123 S CA -0.682 57.421 58.200 -0.161 0.000 0.837 123 S CB 2.160 65.290 63.200 -0.116 0.000 1.124 123 S HN 0.480 nan 8.310 nan 0.000 0.465 124 S N -0.130 115.492 115.700 -0.130 0.000 2.632 124 S HA 0.936 5.525 4.470 0.198 0.000 0.289 124 S C -1.428 173.122 174.600 -0.084 0.000 1.115 124 S CA -0.685 57.444 58.200 -0.119 0.000 0.889 124 S CB 1.740 64.876 63.200 -0.105 0.000 1.116 124 S HN 1.462 nan 8.310 nan 0.000 0.486 125 V N 1.925 121.796 119.914 -0.072 0.000 2.903 125 V HA 0.414 4.653 4.120 0.198 0.000 0.289 125 V C -1.227 174.862 176.094 -0.009 0.000 1.355 125 V CA -0.782 61.494 62.300 -0.038 0.000 0.953 125 V CB 1.921 33.718 31.823 -0.042 0.000 1.102 125 V HN 0.870 nan 8.190 nan 0.000 0.435 126 K N 5.202 125.615 120.400 0.021 0.000 2.350 126 K HA 0.404 4.843 4.320 0.198 0.000 0.279 126 K C 0.195 176.866 176.600 0.119 0.000 1.027 126 K CA -0.305 56.020 56.287 0.064 0.000 0.969 126 K CB 1.096 33.630 32.500 0.057 0.000 0.954 126 K HN 0.775 nan 8.250 nan 0.000 0.474 127 L N 2.422 123.770 121.223 0.208 0.000 2.286 127 L HA 0.278 4.737 4.340 0.198 0.000 0.203 127 L C 1.196 178.376 176.870 0.517 0.000 1.068 127 L CA 0.576 55.626 54.840 0.349 0.000 0.811 127 L CB 0.254 42.572 42.059 0.431 0.000 0.989 127 L HN 0.991 nan 8.230 nan 0.000 0.467 128 G N -0.653 108.387 108.800 0.399 0.000 2.360 128 G HA2 0.345 4.424 3.960 0.198 0.000 0.276 128 G HA3 0.345 4.424 3.960 0.198 0.000 0.276 128 G C -1.292 173.644 174.900 0.060 0.000 1.256 128 G CA 0.174 45.387 45.100 0.188 0.000 0.890 128 G HN 0.023 nan 8.290 nan 0.000 0.486 129 T N -1.971 112.520 114.554 -0.105 0.000 2.883 129 T HA 0.876 5.345 4.350 0.198 0.000 0.301 129 T C -0.876 173.769 174.700 -0.091 0.000 1.158 129 T CA -0.289 61.756 62.100 -0.092 0.000 1.007 129 T CB 2.179 70.981 68.868 -0.109 0.000 1.186 129 T HN 2.034 nan 8.240 nan 0.000 0.499 130 F N -1.096 118.747 119.950 -0.178 0.000 2.741 130 F HA 0.813 5.456 4.527 0.194 0.000 0.311 130 F C -2.129 173.610 175.800 -0.102 0.000 1.149 130 F CA -1.764 56.105 58.000 -0.218 0.000 0.930 130 F CB 0.922 39.734 39.000 -0.312 0.000 1.312 130 F HN 0.628 nan 8.300 nan 0.000 0.450 131 I N 3.359 123.964 120.570 0.059 0.000 2.441 131 I HA 0.405 4.694 4.170 0.198 0.000 0.295 131 I C -1.161 175.024 176.117 0.113 0.000 0.994 131 I CA -1.020 60.279 61.300 -0.002 0.000 1.144 131 I CB 1.805 39.753 38.000 -0.087 0.000 1.314 131 I HN 0.495 nan 8.210 nan 0.000 0.445 132 L N 7.312 128.605 121.223 0.118 0.000 2.333 132 L HA 0.618 5.077 4.340 0.198 0.000 0.280 132 L C -0.800 176.084 176.870 0.023 0.000 1.004 132 L CA -0.415 54.493 54.840 0.114 0.000 0.820 132 L CB 1.544 43.686 42.059 0.138 0.000 1.247 132 L HN 0.583 nan 8.230 nan 0.000 0.416 133 L N 3.037 124.270 121.223 0.016 0.000 2.256 133 L HA 0.510 4.969 4.340 0.198 0.000 0.261 133 L C -0.559 176.322 176.870 0.020 0.000 1.022 133 L CA -0.964 53.874 54.840 -0.003 0.000 0.828 133 L CB 1.648 43.779 42.059 0.121 0.000 1.374 133 L HN 0.270 nan 8.230 nan 0.000 0.436 134 F N 0.573 120.630 119.950 0.179 0.000 2.506 134 F HA 0.065 4.707 4.527 0.192 0.000 0.351 134 F C 0.951 176.905 175.800 0.257 0.000 1.136 134 F CA 0.118 58.232 58.000 0.189 0.000 1.298 134 F CB 0.108 39.215 39.000 0.179 0.000 1.145 134 F HN 0.330 nan 8.300 nan 0.000 0.593 135 N N 4.197 123.176 118.700 0.466 0.000 2.936 135 N HA 0.266 5.125 4.740 0.198 0.000 0.243 135 N C -2.203 173.622 175.510 0.526 0.000 1.149 135 N CA -1.949 51.380 53.050 0.465 0.000 0.914 135 N CB 0.828 39.500 38.487 0.308 0.000 1.179 135 N HN 0.131 nan 8.380 nan 0.000 0.502 136 P HA -0.029 nan 4.420 nan 0.000 0.229 136 P C 0.908 178.345 177.300 0.229 0.000 1.150 136 P CA 0.833 64.091 63.100 0.264 0.000 0.765 136 P CB 0.119 31.809 31.700 -0.017 0.000 0.783 137 W N -1.580 119.874 121.300 0.256 0.000 2.812 137 W HA 0.203 4.975 4.660 0.187 0.000 0.263 137 W C 0.585 177.325 176.519 0.369 0.000 1.284 137 W CA -0.196 57.315 57.345 0.276 0.000 1.430 137 W CB 0.142 29.718 29.460 0.193 0.000 1.088 137 W HN -0.111 nan 8.180 nan 0.000 0.623 138 L N 3.996 125.529 121.223 0.516 0.000 2.325 138 L HA -0.014 4.445 4.340 0.198 0.000 0.284 138 L C 1.639 178.493 176.870 -0.028 0.000 1.089 138 L CA -0.084 54.890 54.840 0.223 0.000 0.836 138 L CB 0.556 42.714 42.059 0.165 0.000 1.184 138 L HN 0.072 nan 8.230 nan 0.000 0.444 139 N N 4.049 122.403 118.700 -0.578 0.000 2.192 139 N HA -0.194 4.665 4.740 0.198 0.000 0.188 139 N C 1.050 176.206 175.510 -0.589 0.000 1.013 139 N CA 1.926 54.109 53.050 -1.444 0.000 0.863 139 N CB -0.469 37.413 38.487 -1.008 0.000 0.990 139 N HN 0.527 nan 8.380 nan 0.000 0.430 140 V N -3.180 116.585 119.914 -0.247 0.000 3.646 140 V HA 0.167 4.406 4.120 0.198 0.000 0.277 140 V C 0.254 176.350 176.094 0.003 0.000 1.274 140 V CA -0.163 62.078 62.300 -0.098 0.000 1.164 140 V CB -0.738 31.044 31.823 -0.069 0.000 0.926 140 V HN -0.018 nan 8.190 nan 0.000 0.442 141 D N 1.070 121.510 120.400 0.067 0.000 2.198 141 D HA 0.260 5.018 4.640 0.198 0.000 0.245 141 D C 1.478 177.897 176.300 0.198 0.000 1.079 141 D CA 0.636 54.731 54.000 0.158 0.000 0.854 141 D CB 2.303 43.241 40.800 0.230 0.000 1.148 141 D HN 0.306 nan 8.370 nan 0.000 0.456 142 S N 1.933 117.725 115.700 0.154 0.000 2.423 142 S HA -0.214 4.375 4.470 0.198 0.000 0.238 142 S C 1.787 176.477 174.600 0.150 0.000 1.028 142 S CA 1.409 59.684 58.200 0.125 0.000 1.000 142 S CB -0.724 62.522 63.200 0.077 0.000 0.797 142 S HN 0.494 nan 8.310 nan 0.000 0.487 143 V N -2.175 117.848 119.914 0.182 0.000 3.633 143 V HA 0.419 4.658 4.120 0.198 0.000 0.283 143 V C 0.597 176.877 176.094 0.311 0.000 1.305 143 V CA -0.891 61.535 62.300 0.210 0.000 1.153 143 V CB -1.777 30.118 31.823 0.120 0.000 0.950 143 V HN 0.318 nan 8.190 nan 0.000 0.432 144 F N 2.436 122.489 119.950 0.170 0.000 2.629 144 F HA 0.355 5.001 4.527 0.198 0.000 0.377 144 F C 0.093 176.029 175.800 0.227 0.000 1.101 144 F CA -0.074 58.022 58.000 0.159 0.000 1.301 144 F CB 0.485 39.559 39.000 0.123 0.000 1.062 144 F HN 0.254 nan 8.300 nan 0.000 0.583 145 M N 6.693 125.792 119.600 -0.835 0.000 2.090 145 M HA 0.326 4.925 4.480 0.198 0.000 0.277 145 M C 0.566 176.182 176.300 -1.140 0.000 0.935 145 M CA -0.203 54.585 55.300 -0.853 0.000 0.966 145 M CB 1.407 33.605 32.600 -0.671 0.000 1.635 145 M HN 0.752 nan 8.290 nan 0.000 0.446 146 G N 3.431 111.546 108.800 -1.142 0.000 2.408 146 G HA2 -0.151 3.928 3.960 0.198 0.000 0.217 146 G HA3 -0.151 3.928 3.960 0.198 0.000 0.217 146 G C 0.606 175.334 174.900 -0.286 0.000 1.150 146 G CA 0.123 44.864 45.100 -0.599 0.000 0.776 146 G HN 0.692 nan 8.290 nan 0.000 0.542 147 N N -0.101 118.417 118.700 -0.304 0.000 2.497 147 N HA 0.016 4.875 4.740 0.198 0.000 0.271 147 N C 1.005 176.394 175.510 -0.202 0.000 1.142 147 N CA -0.204 52.732 53.050 -0.190 0.000 0.965 147 N CB 1.020 39.399 38.487 -0.180 0.000 1.077 147 N HN 0.253 nan 8.380 nan 0.000 0.462 148 H N 4.156 123.120 119.070 -0.176 0.000 2.299 148 H HA -0.015 4.661 4.556 0.200 0.000 0.302 148 H C 1.746 176.971 175.328 -0.171 0.000 1.078 148 H CA 2.576 58.525 56.048 -0.166 0.000 1.323 148 H CB -0.019 29.696 29.762 -0.078 0.000 1.381 148 H HN 0.717 nan 8.280 nan 0.000 0.498 149 A N 0.670 123.373 122.820 -0.194 0.000 1.902 149 A HA -0.196 4.243 4.320 0.198 0.000 0.217 149 A C 2.281 179.672 177.584 -0.323 0.000 1.181 149 A CA 1.859 53.749 52.037 -0.244 0.000 0.623 149 A CB -0.588 18.348 19.000 -0.106 0.000 0.818 149 A HN 0.684 nan 8.150 nan 0.000 0.443 150 E N -0.886 119.139 120.200 -0.291 0.000 2.023 150 E HA -0.220 4.249 4.350 0.198 0.000 0.196 150 E C 2.364 178.738 176.600 -0.377 0.000 1.003 150 E CA 1.219 57.420 56.400 -0.333 0.000 0.809 150 E CB -0.222 29.356 29.700 -0.204 0.000 0.755 150 E HN 0.538 nan 8.360 nan 0.000 0.449 151 R N 0.807 121.070 120.500 -0.396 0.000 2.105 151 R HA -0.186 4.273 4.340 0.198 0.000 0.239 151 R C 1.981 178.047 176.300 -0.390 0.000 1.135 151 R CA 1.242 57.072 56.100 -0.449 0.000 0.967 151 R CB 0.044 29.927 30.300 -0.694 0.000 0.861 151 R HN 0.134 nan 8.270 nan 0.000 0.442 152 E N 0.287 120.233 120.200 -0.423 0.000 2.110 152 E HA -0.208 4.261 4.350 0.198 0.000 0.193 152 E C 1.758 178.240 176.600 -0.197 0.000 0.988 152 E CA 1.198 57.422 56.400 -0.293 0.000 0.804 152 E CB -0.005 29.471 29.700 -0.372 0.000 0.745 152 E HN 0.374 nan 8.360 nan 0.000 0.458 153 E N 0.038 120.048 120.200 -0.318 0.000 2.046 153 E HA -0.135 4.334 4.350 0.198 0.000 0.190 153 E C 1.080 177.542 176.600 -0.230 0.000 0.982 153 E CA 0.965 57.158 56.400 -0.345 0.000 0.800 153 E CB -0.250 29.060 29.700 -0.650 0.000 0.756 153 E HN 0.219 nan 8.360 nan 0.000 0.449 154 Y N -0.565 119.716 120.300 -0.032 0.000 2.462 154 Y HA 0.230 4.896 4.550 0.194 0.000 0.293 154 Y C 1.011 176.906 175.900 -0.008 0.000 1.195 154 Y CA -0.088 58.014 58.100 0.004 0.000 1.276 154 Y CB 0.433 38.935 38.460 0.070 0.000 1.082 154 Y HN -0.034 nan 8.280 nan 0.000 0.514 155 V N -2.372 117.598 119.914 0.092 0.000 3.273 155 V HA -0.029 4.210 4.120 0.198 0.000 0.208 155 V C 1.482 177.691 176.094 0.191 0.000 1.464 155 V CA 0.197 62.570 62.300 0.121 0.000 1.270 155 V CB 0.371 32.241 31.823 0.079 0.000 1.161 155 V HN 0.014 nan 8.190 nan 0.000 0.512 156 Q N 0.478 120.396 119.800 0.197 0.000 2.402 156 Q HA 0.154 4.613 4.340 0.198 0.000 0.206 156 Q C 0.726 176.941 176.000 0.358 0.000 0.919 156 Q CA 0.288 56.298 55.803 0.346 0.000 0.923 156 Q CB 0.454 29.325 28.738 0.222 0.000 1.048 156 Q HN 0.578 nan 8.270 nan 0.000 0.515 157 E N 2.699 123.028 120.200 0.214 0.000 2.259 157 E HA -0.003 4.466 4.350 0.198 0.000 0.281 157 E C -0.047 176.745 176.600 0.320 0.000 1.037 157 E CA -0.021 56.517 56.400 0.230 0.000 0.854 157 E CB 0.631 30.421 29.700 0.151 0.000 1.051 157 E HN 0.088 nan 8.360 nan 0.000 0.409 158 D N 2.737 123.342 120.400 0.341 0.000 2.398 158 D HA 0.155 4.914 4.640 0.198 0.000 0.210 158 D C -0.294 176.152 176.300 0.244 0.000 1.094 158 D CA -0.301 53.907 54.000 0.345 0.000 0.839 158 D CB 0.225 41.191 40.800 0.278 0.000 0.963 158 D HN 0.251 nan 8.370 nan 0.000 0.506 159 A N 0.295 123.206 122.820 0.153 0.000 2.303 159 A HA 0.719 5.157 4.320 0.198 0.000 0.320 159 A C 0.336 177.860 177.584 -0.101 0.000 1.192 159 A CA -0.223 51.788 52.037 -0.044 0.000 0.821 159 A CB 1.383 20.378 19.000 -0.008 0.000 1.188 159 A HN 0.216 nan 8.150 nan 0.000 0.492 160 G N 0.627 109.168 108.800 -0.432 0.000 2.788 160 G HA2 0.666 4.745 3.960 0.198 0.000 0.293 160 G HA3 0.666 4.745 3.960 0.198 0.000 0.293 160 G C -1.118 173.663 174.900 -0.197 0.000 1.305 160 G CA -0.541 44.360 45.100 -0.332 0.000 1.005 160 G HN 0.523 nan 8.290 nan 0.000 0.496 161 I N 0.523 121.018 120.570 -0.124 0.000 2.534 161 I HA 0.407 4.696 4.170 0.198 0.000 0.288 161 I C -0.890 175.032 176.117 -0.324 0.000 1.077 161 I CA -0.438 60.716 61.300 -0.243 0.000 1.051 161 I CB 1.791 39.613 38.000 -0.298 0.000 1.234 161 I HN 0.312 nan 8.210 nan 0.000 0.425 162 I N 5.704 126.041 120.570 -0.387 0.000 2.436 162 I HA 0.369 4.658 4.170 0.198 0.000 0.289 162 I C -0.691 175.110 176.117 -0.527 0.000 1.010 162 I CA -0.621 60.461 61.300 -0.362 0.000 1.098 162 I CB 1.680 39.549 38.000 -0.218 0.000 1.266 162 I HN 0.230 nan 8.210 nan 0.000 0.434 163 F N 6.090 125.950 119.950 -0.150 0.000 2.427 163 F HA 0.479 5.127 4.527 0.201 0.000 0.352 163 F C 0.661 176.258 175.800 -0.338 0.000 1.100 163 F CA -0.322 57.589 58.000 -0.150 0.000 1.191 163 F CB 1.036 40.032 39.000 -0.007 0.000 1.128 163 F HN 0.216 nan 8.300 nan 0.000 0.533 164 V N -0.239 119.513 119.914 -0.271 0.000 3.119 164 V HA 1.067 5.306 4.120 0.198 0.000 0.309 164 V C 0.231 176.098 176.094 -0.377 0.000 1.304 164 V CA -0.266 61.495 62.300 -0.898 0.000 1.057 164 V CB 0.995 32.233 31.823 -0.976 0.000 1.150 164 V HN 1.257 nan 8.190 nan 0.000 0.474 165 G N 0.420 108.941 108.800 -0.465 0.000 2.516 165 G HA2 0.306 4.385 3.960 0.198 0.000 0.220 165 G HA3 0.306 4.385 3.960 0.198 0.000 0.220 165 G C -0.042 175.115 174.900 0.428 0.000 1.165 165 G CA 0.482 45.621 45.100 0.065 0.000 1.013 165 G HN 2.599 nan 8.290 nan 0.000 0.590 166 S N -2.370 113.503 115.700 0.289 0.000 2.671 166 S HA 0.688 5.277 4.470 0.198 0.000 0.277 166 S C 1.048 175.636 174.600 -0.020 0.000 1.165 166 S CA 1.033 59.430 58.200 0.329 0.000 0.822 166 S CB 1.228 64.576 63.200 0.247 0.000 1.150 166 S HN 2.307 nan 8.310 nan 0.000 0.479 167 T N -1.098 113.513 114.554 0.096 0.000 3.155 167 T HA 0.057 4.526 4.350 0.198 0.000 0.264 167 T C 0.819 175.499 174.700 -0.033 0.000 1.160 167 T CA 1.235 63.348 62.100 0.021 0.000 1.075 167 T CB -1.079 67.922 68.868 0.223 0.000 0.921 167 T HN 0.661 nan 8.240 nan 0.000 0.533 168 N N 1.101 119.779 118.700 -0.035 0.000 2.432 168 N HA 0.128 4.987 4.740 0.198 0.000 0.174 168 N C 0.154 175.602 175.510 -0.103 0.000 1.037 168 N CA -0.075 52.951 53.050 -0.040 0.000 0.892 168 N CB 0.362 38.857 38.487 0.013 0.000 1.049 168 N HN 0.476 nan 8.380 nan 0.000 0.442 169 R N 0.904 121.328 120.500 -0.128 0.000 3.039 169 R HA 0.330 4.789 4.340 0.198 0.000 0.264 169 R C -1.533 174.660 176.300 -0.178 0.000 1.708 169 R CA -0.364 55.648 56.100 -0.146 0.000 1.134 169 R CB -0.150 30.105 30.300 -0.076 0.000 1.386 169 R HN -0.041 nan 8.270 nan 0.000 0.477 170 I N 2.574 122.963 120.570 -0.301 0.000 2.517 170 I HA 0.253 4.541 4.170 0.198 0.000 0.285 170 I C 0.873 176.933 176.117 -0.096 0.000 1.106 170 I CA 0.334 61.461 61.300 -0.288 0.000 1.402 170 I CB 0.932 38.664 38.000 -0.447 0.000 1.399 170 I HN 0.805 nan 8.210 nan 0.000 0.535 171 G N 6.587 115.367 108.800 -0.032 0.000 3.016 171 G HA2 0.899 4.978 3.960 0.198 0.000 0.270 171 G HA3 0.899 4.978 3.960 0.198 0.000 0.270 171 G C -0.822 174.059 174.900 -0.033 0.000 1.352 171 G CA -0.838 44.239 45.100 -0.038 0.000 1.060 171 G HN 0.615 nan 8.290 nan 0.000 0.538 172 M N -0.950 118.570 119.600 -0.134 0.000 2.520 172 M HA 0.735 5.334 4.480 0.198 0.000 0.280 172 M C -1.401 174.748 176.300 -0.252 0.000 1.232 172 M CA -0.987 54.146 55.300 -0.278 0.000 0.892 172 M CB 2.464 34.832 32.600 -0.386 0.000 1.728 172 M HN 0.589 nan 8.290 nan 0.000 0.475 173 I N -0.390 120.010 120.570 -0.284 0.000 2.533 173 I HA 0.891 5.180 4.170 0.198 0.000 0.290 173 I C -0.072 175.976 176.117 -0.116 0.000 1.056 173 I CA -0.852 60.340 61.300 -0.179 0.000 1.057 173 I CB 2.029 39.912 38.000 -0.194 0.000 1.240 173 I HN 0.878 nan 8.210 nan 0.000 0.423 174 G N 4.887 113.647 108.800 -0.065 0.000 2.527 174 G HA2 0.271 4.350 3.960 0.198 0.000 0.248 174 G HA3 0.271 4.350 3.960 0.198 0.000 0.248 174 G C -1.545 173.397 174.900 0.070 0.000 1.231 174 G CA -0.389 44.681 45.100 -0.050 0.000 0.838 174 G HN 0.806 nan 8.290 nan 0.000 0.570 175 W N 2.204 123.339 121.300 -0.275 0.000 3.097 175 W HA 0.305 5.085 4.660 0.199 0.000 0.335 175 W C -1.257 174.980 176.519 -0.469 0.000 1.114 175 W CA -0.969 56.190 57.345 -0.310 0.000 1.231 175 W CB 2.027 31.295 29.460 -0.320 0.000 1.388 175 W HN 0.498 nan 8.180 nan 0.000 0.485 176 N N 4.646 122.933 118.700 -0.689 0.000 2.521 176 N HA 0.190 5.049 4.740 0.198 0.000 0.236 176 N C 0.564 175.892 175.510 -0.304 0.000 1.067 176 N CA -0.034 52.748 53.050 -0.447 0.000 0.939 176 N CB -0.054 38.231 38.487 -0.336 0.000 1.201 176 N HN 0.325 nan 8.380 nan 0.000 0.511 177 F N 2.108 122.083 119.950 0.042 0.000 2.113 177 F HA 0.045 4.674 4.527 0.169 0.000 0.297 177 F C 2.073 177.866 175.800 -0.012 0.000 1.103 177 F CA 0.388 58.447 58.000 0.098 0.000 1.248 177 F CB -0.228 38.832 39.000 0.101 0.000 0.999 177 F HN 0.614 nan 8.300 nan 0.000 0.475 178 G N 1.285 110.178 108.800 0.154 0.000 2.341 178 G HA2 -0.345 3.734 3.960 0.198 0.000 0.292 178 G HA3 -0.345 3.734 3.960 0.198 0.000 0.292 178 G C 1.074 175.978 174.900 0.007 0.000 1.021 178 G CA 0.670 45.812 45.100 0.069 0.000 0.905 178 G HN 0.517 nan 8.290 nan 0.000 0.508 179 Q N -0.900 118.811 119.800 -0.147 0.000 2.291 179 Q HA -0.088 4.371 4.340 0.198 0.000 0.206 179 Q C 1.751 177.627 176.000 -0.206 0.000 0.976 179 Q CA 1.638 57.300 55.803 -0.234 0.000 0.875 179 Q CB -0.409 28.079 28.738 -0.415 0.000 0.927 179 Q HN 0.632 nan 8.270 nan 0.000 0.450 180 F N 1.644 121.624 119.950 0.051 0.000 2.797 180 F HA 0.229 4.829 4.527 0.121 0.000 0.302 180 F C 0.858 176.718 175.800 0.100 0.000 1.130 180 F CA -0.311 57.698 58.000 0.016 0.000 1.387 180 F CB -0.018 38.913 39.000 -0.115 0.000 1.107 180 F HN -0.114 nan 8.300 nan 0.000 0.577 181 E N 1.207 121.532 120.200 0.209 0.000 2.408 181 E HA -0.040 4.429 4.350 0.198 0.000 0.259 181 E C 0.150 176.840 176.600 0.149 0.000 1.110 181 E CA -0.254 56.239 56.400 0.155 0.000 0.929 181 E CB 0.347 30.106 29.700 0.098 0.000 0.971 181 E HN 0.166 nan 8.360 nan 0.000 0.438 182 E N 1.002 121.272 120.200 0.117 0.000 2.708 182 E HA -0.206 4.263 4.350 0.198 0.000 0.260 182 E C -0.007 176.648 176.600 0.091 0.000 0.937 182 E CA 0.881 57.341 56.400 0.099 0.000 0.953 182 E CB 0.032 29.774 29.700 0.071 0.000 0.915 182 E HN 0.494 nan 8.360 nan 0.000 0.487 183 D N 2.282 122.734 120.400 0.088 0.000 2.921 183 D HA -0.254 4.505 4.640 0.198 0.000 0.202 183 D C 0.809 177.160 176.300 0.085 0.000 1.082 183 D CA 1.451 55.494 54.000 0.072 0.000 1.014 183 D CB -0.634 40.200 40.800 0.057 0.000 1.120 183 D HN 0.464 nan 8.370 nan 0.000 0.416 184 I N -0.001 120.633 120.570 0.106 0.000 2.113 184 I HA -0.200 4.089 4.170 0.198 0.000 0.238 184 I C 2.631 178.814 176.117 0.109 0.000 1.070 184 I CA 1.036 62.400 61.300 0.106 0.000 1.332 184 I CB -1.227 36.836 38.000 0.106 0.000 1.044 184 I HN 0.247 nan 8.210 nan 0.000 0.402 185 L N 1.004 122.315 121.223 0.146 0.000 1.997 185 L HA -0.268 4.191 4.340 0.198 0.000 0.216 185 L C 2.846 179.734 176.870 0.030 0.000 1.074 185 L CA 2.489 57.386 54.840 0.094 0.000 0.763 185 L CB -1.117 40.935 42.059 -0.012 0.000 0.890 185 L HN 0.283 nan 8.230 nan 0.000 0.434 186 S N -0.541 115.172 115.700 0.022 0.000 2.359 186 S HA -0.252 4.336 4.470 0.198 0.000 0.223 186 S C 2.095 176.717 174.600 0.036 0.000 1.039 186 S CA 2.060 60.265 58.200 0.008 0.000 1.042 186 S CB -0.639 62.567 63.200 0.010 0.000 0.915 186 S HN 0.518 nan 8.310 nan 0.000 0.439 187 I N 1.059 121.672 120.570 0.073 0.000 2.208 187 I HA -0.241 4.048 4.170 0.198 0.000 0.245 187 I C 2.650 178.846 176.117 0.132 0.000 1.097 187 I CA 1.249 62.628 61.300 0.131 0.000 1.363 187 I CB -0.680 37.422 38.000 0.170 0.000 1.051 187 I HN 0.441 nan 8.210 nan 0.000 0.413 188 C N 0.581 119.929 119.300 0.080 0.000 2.425 188 C HA -0.130 4.449 4.460 0.198 0.000 0.277 188 C C 2.710 177.725 174.990 0.040 0.000 1.280 188 C CA 0.581 59.628 59.018 0.049 0.000 1.744 188 C CB -1.050 26.718 27.740 0.048 0.000 1.989 188 C HN 0.470 nan 8.230 nan 0.000 0.491 189 L N 0.294 121.533 121.223 0.027 0.000 2.217 189 L HA -0.096 4.363 4.340 0.198 0.000 0.211 189 L C 2.596 179.456 176.870 -0.018 0.000 1.107 189 L CA 1.049 55.886 54.840 -0.004 0.000 0.783 189 L CB -0.485 41.555 42.059 -0.031 0.000 0.919 189 L HN 0.286 nan 8.230 nan 0.000 0.442 190 S N 0.005 115.717 115.700 0.021 0.000 2.402 190 S HA -0.091 4.498 4.470 0.198 0.000 0.229 190 S C 1.961 176.600 174.600 0.066 0.000 1.021 190 S CA 0.925 59.139 58.200 0.023 0.000 0.974 190 S CB -0.160 63.087 63.200 0.079 0.000 0.800 190 S HN 0.285 nan 8.310 nan 0.000 0.484 191 I N 1.569 122.215 120.570 0.127 0.000 2.151 191 I HA -0.252 4.037 4.170 0.198 0.000 0.243 191 I C 1.958 178.094 176.117 0.031 0.000 1.080 191 I CA 1.326 62.697 61.300 0.118 0.000 1.339 191 I CB -0.470 37.525 38.000 -0.009 0.000 1.039 191 I HN 0.270 nan 8.210 nan 0.000 0.409 192 L N 0.136 121.347 121.223 -0.020 0.000 2.191 192 L HA -0.214 4.245 4.340 0.198 0.000 0.212 192 L C 1.352 178.098 176.870 -0.205 0.000 1.103 192 L CA 1.009 55.820 54.840 -0.047 0.000 0.769 192 L CB -0.569 41.482 42.059 -0.014 0.000 0.908 192 L HN 0.296 nan 8.230 nan 0.000 0.438 193 D N -0.403 119.779 120.400 -0.363 0.000 2.328 193 D HA 0.014 4.773 4.640 0.198 0.000 0.226 193 D C 1.563 177.577 176.300 -0.477 0.000 1.066 193 D CA 0.341 53.805 54.000 -0.893 0.000 0.861 193 D CB 0.306 40.681 40.800 -0.708 0.000 0.912 193 D HN 0.204 nan 8.370 nan 0.000 0.521 194 R N 0.200 120.633 120.500 -0.112 0.000 2.509 194 R HA 0.110 4.569 4.340 0.198 0.000 0.297 194 R C 0.648 177.033 176.300 0.142 0.000 0.951 194 R CA -0.034 56.110 56.100 0.073 0.000 1.103 194 R CB 0.535 30.930 30.300 0.158 0.000 1.283 194 R HN 0.075 nan 8.270 nan 0.000 0.534 195 S N -0.041 115.738 115.700 0.132 0.000 2.593 195 S HA 0.183 4.771 4.470 0.198 0.000 0.269 195 S C 1.665 176.368 174.600 0.172 0.000 1.334 195 S CA -0.529 57.752 58.200 0.135 0.000 1.015 195 S CB 1.043 64.301 63.200 0.097 0.000 0.912 195 S HN 0.106 nan 8.310 nan 0.000 0.541 196 L N 1.389 122.682 121.223 0.118 0.000 2.042 196 L HA -0.191 4.268 4.340 0.198 0.000 0.210 196 L C 2.295 179.239 176.870 0.122 0.000 1.076 196 L CA 1.711 56.615 54.840 0.107 0.000 0.749 196 L CB -1.099 41.003 42.059 0.070 0.000 0.893 196 L HN 0.674 nan 8.230 nan 0.000 0.432 197 N N 0.079 118.858 118.700 0.132 0.000 2.104 197 N HA -0.250 4.609 4.740 0.198 0.000 0.190 197 N C 1.651 177.286 175.510 0.208 0.000 1.024 197 N CA 1.455 54.608 53.050 0.172 0.000 0.853 197 N CB -0.512 38.112 38.487 0.228 0.000 1.008 197 N HN 0.223 nan 8.380 nan 0.000 0.424 198 F N 1.586 121.599 119.950 0.104 0.000 2.234 198 F HA 0.031 4.681 4.527 0.204 0.000 0.299 198 F C 1.989 177.837 175.800 0.080 0.000 1.087 198 F CA 0.938 58.996 58.000 0.098 0.000 1.340 198 F CB 0.195 39.250 39.000 0.092 0.000 1.031 198 F HN -0.049 nan 8.300 nan 0.000 0.500 199 R N -0.260 120.337 120.500 0.162 0.000 2.093 199 R HA -0.058 4.401 4.340 0.198 0.000 0.224 199 R C 2.276 178.574 176.300 -0.003 0.000 1.101 199 R CA 1.033 57.178 56.100 0.075 0.000 0.979 199 R CB -0.552 29.820 30.300 0.121 0.000 0.877 199 R HN 0.262 nan 8.270 nan 0.000 0.441 200 R N 0.951 121.461 120.500 0.018 0.000 2.070 200 R HA -0.104 4.355 4.340 0.198 0.000 0.232 200 R C 0.053 176.325 176.300 -0.047 0.000 1.138 200 R CA 1.759 57.860 56.100 0.001 0.000 0.936 200 R CB 0.156 30.474 30.300 0.029 0.000 0.839 200 R HN 0.003 nan 8.270 nan 0.000 0.429 201 D N -1.590 118.770 120.400 -0.067 0.000 2.319 201 D HA 0.172 4.931 4.640 0.198 0.000 0.237 201 D C -0.080 176.106 176.300 -0.190 0.000 1.353 201 D CA 0.133 54.062 54.000 -0.119 0.000 0.992 201 D CB 1.546 42.305 40.800 -0.069 0.000 1.368 201 D HN 0.229 nan 8.370 nan 0.000 0.564 202 A N 3.376 125.960 122.820 -0.394 0.000 1.877 202 A HA 0.029 4.468 4.320 0.198 0.000 0.216 202 A C 2.175 179.662 177.584 -0.162 0.000 1.186 202 A CA 2.078 53.682 52.037 -0.722 0.000 0.620 202 A CB -0.613 17.807 19.000 -0.966 0.000 0.822 202 A HN 0.654 nan 8.150 nan 0.000 0.443 203 A N -1.028 121.776 122.820 -0.026 0.000 1.873 203 A HA -0.157 4.282 4.320 0.198 0.000 0.218 203 A C 2.315 179.904 177.584 0.009 0.000 1.193 203 A CA 2.520 54.588 52.037 0.051 0.000 0.629 203 A CB -1.389 17.577 19.000 -0.057 0.000 0.826 203 A HN 0.446 nan 8.150 nan 0.000 0.447 204 T N -0.698 113.836 114.554 -0.033 0.000 2.904 204 T HA -0.083 4.386 4.350 0.198 0.000 0.267 204 T C 1.606 176.274 174.700 -0.054 0.000 1.059 204 T CA 1.485 63.559 62.100 -0.044 0.000 1.137 204 T CB -0.346 68.495 68.868 -0.046 0.000 0.879 204 T HN 0.716 nan 8.240 nan 0.000 0.467 205 D N 1.049 121.473 120.400 0.039 0.000 2.084 205 D HA -0.097 4.662 4.640 0.198 0.000 0.194 205 D C 2.059 178.426 176.300 0.110 0.000 0.990 205 D CA 0.925 55.017 54.000 0.153 0.000 0.826 205 D CB -0.301 40.733 40.800 0.390 0.000 0.971 205 D HN 0.122 nan 8.370 nan 0.000 0.453 206 V N 0.693 120.709 119.914 0.170 0.000 2.392 206 V HA -0.223 4.016 4.120 0.198 0.000 0.249 206 V C 2.490 178.599 176.094 0.024 0.000 1.059 206 V CA 1.795 64.165 62.300 0.117 0.000 1.051 206 V CB -0.898 31.001 31.823 0.126 0.000 0.658 206 V HN 0.397 nan 8.190 nan 0.000 0.455 207 A N -0.795 122.020 122.820 -0.009 0.000 2.014 207 A HA -0.117 4.322 4.320 0.198 0.000 0.218 207 A C 2.308 179.842 177.584 -0.083 0.000 1.163 207 A CA 1.726 53.748 52.037 -0.025 0.000 0.652 207 A CB -0.358 18.628 19.000 -0.024 0.000 0.808 207 A HN 0.510 nan 8.150 nan 0.000 0.449 208 S N -0.558 115.007 115.700 -0.226 0.000 2.593 208 S HA 0.053 4.642 4.470 0.198 0.000 0.217 208 S C 1.357 175.833 174.600 -0.207 0.000 0.966 208 S CA -0.052 57.893 58.200 -0.426 0.000 0.914 208 S CB -0.108 62.365 63.200 -1.212 0.000 0.776 208 S HN 0.572 nan 8.310 nan 0.000 0.523 209 R N 2.146 122.634 120.500 -0.020 0.000 2.328 209 R HA 0.071 4.530 4.340 0.198 0.000 0.206 209 R C 1.041 177.409 176.300 0.114 0.000 0.990 209 R CA 0.496 56.673 56.100 0.128 0.000 1.085 209 R CB -0.527 29.829 30.300 0.093 0.000 0.998 209 R HN 0.644 nan 8.270 nan 0.000 0.484 210 N N -0.852 117.914 118.700 0.110 0.000 2.230 210 N HA -0.031 4.828 4.740 0.198 0.000 0.202 210 N C -0.519 175.147 175.510 0.259 0.000 1.119 210 N CA -0.306 52.830 53.050 0.144 0.000 0.851 210 N CB 0.520 39.071 38.487 0.106 0.000 0.990 210 N HN -0.109 nan 8.380 nan 0.000 0.497 211 D N 1.031 121.586 120.400 0.259 0.000 2.481 211 D HA 0.230 4.989 4.640 0.198 0.000 0.246 211 D C -1.672 174.671 176.300 0.072 0.000 1.109 211 D CA -2.583 51.514 54.000 0.162 0.000 0.845 211 D CB 2.137 42.996 40.800 0.099 0.000 1.160 211 D HN -0.096 nan 8.370 nan 0.000 0.534 212 P HA -0.169 nan 4.420 nan 0.000 0.218 212 P C 1.029 177.849 177.300 -0.800 0.000 1.148 212 P CA 0.955 63.551 63.100 -0.840 0.000 0.822 212 P CB 0.651 31.529 31.700 -1.370 0.000 0.784 213 K N -1.026 119.049 120.400 -0.542 0.000 2.026 213 K HA -0.189 4.250 4.320 0.198 0.000 0.208 213 K C 2.440 178.979 176.600 -0.103 0.000 1.048 213 K CA 1.490 57.644 56.287 -0.222 0.000 0.929 213 K CB -0.688 31.826 32.500 0.025 0.000 0.713 213 K HN 0.100 nan 8.250 nan 0.000 0.439 214 Y N 1.219 121.446 120.300 -0.123 0.000 2.133 214 Y HA -0.226 4.442 4.550 0.197 0.000 0.287 214 Y C 2.024 177.888 175.900 -0.061 0.000 1.134 214 Y CA 1.149 59.205 58.100 -0.072 0.000 1.133 214 Y CB -0.229 38.228 38.460 -0.003 0.000 0.987 214 Y HN -0.238 nan 8.280 nan 0.000 0.502 215 V N 0.130 120.107 119.914 0.105 0.000 2.407 215 V HA -0.271 3.968 4.120 0.198 0.000 0.248 215 V C 2.540 178.598 176.094 -0.060 0.000 1.055 215 V CA 1.858 64.195 62.300 0.062 0.000 1.049 215 V CB -1.552 30.410 31.823 0.231 0.000 0.662 215 V HN 0.644 nan 8.190 nan 0.000 0.455 216 G N -0.341 108.389 108.800 -0.118 0.000 2.511 216 G HA2 -0.325 3.754 3.960 0.198 0.000 0.216 216 G HA3 -0.325 3.754 3.960 0.198 0.000 0.216 216 G C 1.675 176.518 174.900 -0.095 0.000 1.218 216 G CA 1.049 46.112 45.100 -0.062 0.000 0.788 216 G HN 0.416 nan 8.290 nan 0.000 0.560 217 R N -0.223 120.166 120.500 -0.186 0.000 2.103 217 R HA -0.101 4.358 4.340 0.198 0.000 0.242 217 R C 2.695 178.847 176.300 -0.248 0.000 1.142 217 R CA 1.759 57.702 56.100 -0.263 0.000 0.960 217 R CB -0.478 29.559 30.300 -0.438 0.000 0.858 217 R HN 0.267 nan 8.270 nan 0.000 0.439 218 V N 1.220 120.948 119.914 -0.311 0.000 2.295 218 V HA -0.269 3.970 4.120 0.198 0.000 0.246 218 V C 2.369 178.381 176.094 -0.136 0.000 1.049 218 V CA 1.848 63.990 62.300 -0.263 0.000 1.024 218 V CB -0.437 31.191 31.823 -0.326 0.000 0.648 218 V HN 0.357 nan 8.190 nan 0.000 0.447 219 L N 0.916 122.080 121.223 -0.100 0.000 2.083 219 L HA -0.172 4.287 4.340 0.198 0.000 0.209 219 L C 2.689 179.530 176.870 -0.048 0.000 1.083 219 L CA 1.874 56.680 54.840 -0.057 0.000 0.752 219 L CB -0.732 41.313 42.059 -0.023 0.000 0.899 219 L HN 0.576 nan 8.230 nan 0.000 0.433 220 S N -0.340 115.330 115.700 -0.051 0.000 2.469 220 S HA -0.095 4.494 4.470 0.198 0.000 0.238 220 S C 1.852 176.426 174.600 -0.042 0.000 0.998 220 S CA 0.840 59.020 58.200 -0.034 0.000 0.957 220 S CB -0.078 63.096 63.200 -0.043 0.000 0.764 220 S HN 0.372 nan 8.310 nan 0.000 0.514 221 A N 1.228 124.016 122.820 -0.053 0.000 1.942 221 A HA 0.449 4.887 4.320 0.198 0.000 0.209 221 A C 2.121 179.696 177.584 -0.015 0.000 1.214 221 A CA 0.504 52.524 52.037 -0.027 0.000 0.686 221 A CB -0.303 18.673 19.000 -0.040 0.000 0.871 221 A HN 0.488 nan 8.150 nan 0.000 0.460 222 M N 0.237 119.815 119.600 -0.036 0.000 2.619 222 M HA 0.132 4.731 4.480 0.198 0.000 0.251 222 M C 1.112 177.343 176.300 -0.115 0.000 1.106 222 M CA 0.680 55.950 55.300 -0.050 0.000 1.086 222 M CB -0.559 32.007 32.600 -0.055 0.000 1.465 222 M HN 0.256 nan 8.290 nan 0.000 0.506 223 I N 0.775 121.300 120.570 -0.075 0.000 3.428 223 I HA -0.081 4.208 4.170 0.198 0.000 0.286 223 I C 0.327 176.478 176.117 0.056 0.000 1.287 223 I CA 0.402 61.663 61.300 -0.067 0.000 1.396 223 I CB -1.401 36.615 38.000 0.026 0.000 1.062 223 I HN 0.317 nan 8.210 nan 0.000 0.471 224 N N -1.437 117.297 118.700 0.057 0.000 2.321 224 N HA 0.176 5.035 4.740 0.198 0.000 0.299 224 N C 0.477 176.029 175.510 0.069 0.000 1.048 224 N CA -0.442 52.686 53.050 0.129 0.000 0.836 224 N CB 1.266 39.720 38.487 -0.055 0.000 1.269 224 N HN -0.275 nan 8.380 nan 0.000 0.486 225 S N 1.053 116.817 115.700 0.106 0.000 2.402 225 S HA -0.167 4.422 4.470 0.198 0.000 0.233 225 S C 0.288 174.926 174.600 0.063 0.000 1.030 225 S CA 0.835 59.094 58.200 0.100 0.000 1.003 225 S CB -0.868 62.401 63.200 0.116 0.000 0.813 225 S HN 0.725 nan 8.310 nan 0.000 0.477 226 N N 1.826 120.520 118.700 -0.010 0.000 2.226 226 N HA -0.051 4.808 4.740 0.198 0.000 0.232 226 N C 0.029 175.583 175.510 0.072 0.000 1.255 226 N CA 0.931 53.944 53.050 -0.061 0.000 0.855 226 N CB 0.051 38.326 38.487 -0.354 0.000 1.095 226 N HN 0.092 nan 8.380 nan 0.000 0.444 227 D N 0.333 120.813 120.400 0.133 0.000 2.981 227 D HA -0.196 4.563 4.640 0.198 0.000 0.223 227 D C -0.850 175.516 176.300 0.109 0.000 1.151 227 D CA 0.853 54.944 54.000 0.150 0.000 0.827 227 D CB -1.152 39.744 40.800 0.161 0.000 1.101 227 D HN 0.743 nan 8.370 nan 0.000 0.426 228 D N -0.799 119.658 120.400 0.096 0.000 2.792 228 D HA -0.241 4.518 4.640 0.198 0.000 0.231 228 D C -0.042 176.322 176.300 0.106 0.000 1.160 228 D CA 1.435 55.490 54.000 0.092 0.000 0.697 228 D CB -1.251 39.597 40.800 0.080 0.000 1.070 228 D HN 0.525 nan 8.370 nan 0.000 0.426 229 N N -0.593 118.179 118.700 0.120 0.000 2.752 229 N HA 0.499 5.358 4.740 0.198 0.000 0.268 229 N C -0.467 175.133 175.510 0.150 0.000 1.190 229 N CA 0.399 53.537 53.050 0.147 0.000 0.897 229 N CB 1.257 39.820 38.487 0.126 0.000 1.515 229 N HN 0.223 nan 8.380 nan 0.000 0.567 230 G N -0.093 108.833 108.800 0.209 0.000 2.317 230 G HA2 0.230 4.309 3.960 0.198 0.000 0.293 230 G HA3 0.230 4.309 3.960 0.198 0.000 0.293 230 G C -0.626 174.324 174.900 0.083 0.000 1.287 230 G CA -0.047 45.119 45.100 0.111 0.000 0.850 230 G HN 0.245 nan 8.290 nan 0.000 0.515 231 V N -0.321 119.447 119.914 -0.244 0.000 2.599 231 V HA 0.384 4.623 4.120 0.198 0.000 0.237 231 V C 0.995 176.988 176.094 -0.168 0.000 1.081 231 V CA 0.723 62.696 62.300 -0.545 0.000 1.107 231 V CB -0.305 30.957 31.823 -0.936 0.000 0.808 231 V HN 0.434 nan 8.190 nan 0.000 0.486 232 L N 1.221 122.397 121.223 -0.078 0.000 2.282 232 L HA 0.654 5.113 4.340 0.198 0.000 0.288 232 L C 0.018 176.984 176.870 0.159 0.000 1.033 232 L CA -0.443 54.372 54.840 -0.042 0.000 0.807 232 L CB 1.364 43.242 42.059 -0.301 0.000 1.209 232 L HN 0.244 nan 8.230 nan 0.000 0.423 233 A N 3.184 126.069 122.820 0.109 0.000 2.302 233 A HA 0.573 5.012 4.320 0.198 0.000 0.295 233 A C 0.537 178.274 177.584 0.255 0.000 1.235 233 A CA -0.196 51.967 52.037 0.210 0.000 0.876 233 A CB 0.360 19.487 19.000 0.212 0.000 1.133 233 A HN 0.781 nan 8.150 nan 0.000 0.533 234 G N 1.075 110.071 108.800 0.327 0.000 2.569 234 G HA2 0.433 4.512 3.960 0.198 0.000 0.249 234 G HA3 0.433 4.512 3.960 0.198 0.000 0.249 234 G C -0.187 174.698 174.900 -0.025 0.000 1.216 234 G CA -0.420 44.770 45.100 0.150 0.000 0.845 234 G HN 0.945 nan 8.290 nan 0.000 0.568 235 N N -0.286 118.146 118.700 -0.448 0.000 2.777 235 N HA 0.115 4.974 4.740 0.198 0.000 0.260 235 N C -0.849 174.486 175.510 -0.292 0.000 1.113 235 N CA -0.723 52.191 53.050 -0.227 0.000 0.996 235 N CB 1.052 39.307 38.487 -0.386 0.000 1.584 235 N HN 0.588 nan 8.380 nan 0.000 0.573 236 W N 2.881 124.222 121.300 0.069 0.000 2.128 236 W HA 0.158 4.937 4.660 0.199 0.000 0.356 236 W C 1.251 177.773 176.519 0.006 0.000 0.891 236 W CA -0.260 57.107 57.345 0.037 0.000 2.408 236 W CB 0.671 30.044 29.460 -0.145 0.000 1.234 236 W HN 0.607 nan 8.180 nan 0.000 0.597 237 S N -1.008 114.769 115.700 0.129 0.000 2.486 237 S HA 0.250 4.839 4.470 0.198 0.000 0.220 237 S C 1.742 176.272 174.600 -0.118 0.000 1.011 237 S CA 1.051 59.244 58.200 -0.013 0.000 0.921 237 S CB 0.442 63.588 63.200 -0.090 0.000 0.785 237 S HN 0.357 nan 8.310 nan 0.000 0.517 238 G N 0.175 108.802 108.800 -0.288 0.000 2.213 238 G HA2 -0.189 3.890 3.960 0.198 0.000 0.236 238 G HA3 -0.189 3.890 3.960 0.198 0.000 0.236 238 G C 0.157 174.588 174.900 -0.781 0.000 0.991 238 G CA 0.221 45.111 45.100 -0.350 0.000 0.629 238 G HN 0.687 nan 8.290 nan 0.000 0.517 239 T N 0.916 114.924 114.554 -0.910 0.000 2.809 239 T HA 0.566 5.035 4.350 0.198 0.000 0.296 239 T C -0.524 173.704 174.700 -0.788 0.000 1.015 239 T CA -0.280 61.420 62.100 -0.668 0.000 0.954 239 T CB 0.805 69.496 68.868 -0.295 0.000 0.950 239 T HN 0.246 nan 8.240 nan 0.000 0.450 240 Y N 0.939 121.222 120.300 -0.029 0.000 2.734 240 Y HA 0.284 4.954 4.550 0.201 0.000 0.278 240 Y C 1.305 177.308 175.900 0.171 0.000 1.108 240 Y CA -1.045 57.072 58.100 0.029 0.000 1.211 240 Y CB -0.519 37.990 38.460 0.081 0.000 1.182 240 Y HN 0.427 nan 8.280 nan 0.000 0.547 241 T N 0.280 114.928 114.554 0.157 0.000 2.926 241 T HA 0.359 4.828 4.350 0.198 0.000 0.307 241 T C 1.367 176.205 174.700 0.230 0.000 1.059 241 T CA 1.263 63.448 62.100 0.142 0.000 1.122 241 T CB 0.713 69.618 68.868 0.062 0.000 0.972 241 T HN 0.763 nan 8.240 nan 0.000 0.545 242 G N 0.816 109.705 108.800 0.148 0.000 2.217 242 G HA2 -0.071 4.008 3.960 0.198 0.000 0.246 242 G HA3 -0.071 4.008 3.960 0.198 0.000 0.246 242 G C 0.391 175.306 174.900 0.024 0.000 0.990 242 G CA 0.188 45.355 45.100 0.112 0.000 0.627 242 G HN 1.212 nan 8.290 nan 0.000 0.522 243 G N -0.960 107.881 108.800 0.068 0.000 3.003 243 G HA2 0.679 4.758 3.960 0.198 0.000 0.243 243 G HA3 0.679 4.758 3.960 0.198 0.000 0.243 243 G C -0.829 174.061 174.900 -0.016 0.000 1.176 243 G CA -0.521 44.503 45.100 -0.127 0.000 0.812 243 G HN 0.460 nan 8.290 nan 0.000 0.584 244 R N 0.368 120.829 120.500 -0.065 0.000 2.711 244 R HA 0.351 4.810 4.340 0.198 0.000 0.284 244 R C -1.373 174.823 176.300 -0.174 0.000 0.968 244 R CA -0.816 55.155 56.100 -0.215 0.000 0.924 244 R CB 2.161 32.074 30.300 -0.645 0.000 1.162 244 R HN 0.514 nan 8.270 nan 0.000 0.465 245 D N 3.068 123.336 120.400 -0.220 0.000 2.434 245 D HA 0.018 4.777 4.640 0.198 0.000 0.252 245 D C -1.561 174.492 176.300 -0.412 0.000 1.185 245 D CA -1.738 52.062 54.000 -0.334 0.000 0.886 245 D CB 1.328 42.060 40.800 -0.113 0.000 1.148 245 D HN 0.155 nan 8.370 nan 0.000 0.483 246 P HA -0.175 nan 4.420 nan 0.000 0.218 246 P C 0.950 178.355 177.300 0.176 0.000 1.152 246 P CA 1.376 64.359 63.100 -0.194 0.000 0.857 246 P CB 0.145 31.580 31.700 -0.442 0.000 0.787 247 R N -0.566 120.074 120.500 0.232 0.000 2.316 247 R HA 0.029 4.488 4.340 0.198 0.000 0.202 247 R C 2.086 178.508 176.300 0.204 0.000 1.029 247 R CA 1.329 57.679 56.100 0.417 0.000 1.018 247 R CB -0.702 29.750 30.300 0.254 0.000 0.888 247 R HN 0.359 nan 8.270 nan 0.000 0.471 248 S N -0.443 115.250 115.700 -0.012 0.000 2.478 248 S HA -0.049 4.540 4.470 0.198 0.000 0.222 248 S C 0.539 175.092 174.600 -0.078 0.000 1.008 248 S CA -0.542 57.589 58.200 -0.115 0.000 0.928 248 S CB -0.219 62.816 63.200 -0.275 0.000 0.781 248 S HN 0.259 nan 8.310 nan 0.000 0.518 249 W N 2.086 123.433 121.300 0.079 0.000 2.187 249 W HA 0.256 5.038 4.660 0.203 0.000 0.348 249 W C 0.812 177.273 176.519 -0.096 0.000 1.282 249 W CA -0.327 57.016 57.345 -0.004 0.000 1.271 249 W CB 0.355 29.872 29.460 0.096 0.000 1.170 249 W HN 0.170 nan 8.180 nan 0.000 0.583 250 D N 0.241 120.573 120.400 -0.113 0.000 2.514 250 D HA 0.220 4.979 4.640 0.198 0.000 0.225 250 D C 0.572 176.253 176.300 -1.031 0.000 1.159 250 D CA 0.272 54.038 54.000 -0.390 0.000 0.823 250 D CB 0.969 41.646 40.800 -0.204 0.000 1.097 250 D HN 0.439 nan 8.370 nan 0.000 0.519 251 G N -0.736 107.313 108.800 -1.252 0.000 2.606 251 G HA2 0.334 4.413 3.960 0.198 0.000 0.300 251 G HA3 0.334 4.413 3.960 0.198 0.000 0.300 251 G C 0.035 174.482 174.900 -0.756 0.000 1.360 251 G CA -0.183 44.082 45.100 -1.390 0.000 0.783 251 G HN -0.134 nan 8.290 nan 0.000 0.484 252 S N -0.875 114.671 115.700 -0.257 0.000 2.503 252 S HA 0.052 4.641 4.470 0.198 0.000 0.217 252 S C 2.417 176.974 174.600 -0.070 0.000 0.999 252 S CA 0.624 58.838 58.200 0.025 0.000 0.914 252 S CB 0.329 63.673 63.200 0.240 0.000 0.782 252 S HN 0.381 nan 8.310 nan 0.000 0.520 253 V N 2.704 122.565 119.914 -0.088 0.000 2.233 253 V HA -0.165 4.074 4.120 0.198 0.000 0.247 253 V C 2.414 178.483 176.094 -0.041 0.000 1.050 253 V CA 1.700 63.973 62.300 -0.045 0.000 1.010 253 V CB -0.501 31.298 31.823 -0.040 0.000 0.637 253 V HN 0.382 nan 8.190 nan 0.000 0.444 254 E N -0.415 119.755 120.200 -0.050 0.000 2.347 254 E HA -0.032 4.437 4.350 0.198 0.000 0.196 254 E C 2.056 178.631 176.600 -0.042 0.000 1.008 254 E CA 0.743 57.148 56.400 0.009 0.000 0.852 254 E CB -0.193 29.561 29.700 0.091 0.000 0.783 254 E HN 0.599 nan 8.360 nan 0.000 0.505 255 I N 0.442 120.878 120.570 -0.223 0.000 2.193 255 I HA -0.238 4.051 4.170 0.198 0.000 0.240 255 I C 2.312 178.336 176.117 -0.154 0.000 1.084 255 I CA 0.848 61.902 61.300 -0.410 0.000 1.365 255 I CB -0.203 37.412 38.000 -0.642 0.000 1.064 255 I HN 0.064 nan 8.210 nan 0.000 0.410 256 L N 0.418 121.590 121.223 -0.085 0.000 2.056 256 L HA -0.202 4.257 4.340 0.198 0.000 0.207 256 L C 2.562 179.523 176.870 0.152 0.000 1.078 256 L CA 1.426 56.284 54.840 0.031 0.000 0.749 256 L CB -0.518 41.551 42.059 0.017 0.000 0.901 256 L HN 0.164 nan 8.230 nan 0.000 0.433 257 K N -0.195 120.256 120.400 0.085 0.000 2.057 257 K HA -0.136 4.303 4.320 0.198 0.000 0.207 257 K C 1.929 178.586 176.600 0.095 0.000 1.049 257 K CA 1.258 57.598 56.287 0.088 0.000 0.931 257 K CB -0.187 32.346 32.500 0.054 0.000 0.714 257 K HN 0.257 nan 8.250 nan 0.000 0.440 258 N N 0.314 119.069 118.700 0.091 0.000 2.166 258 N HA -0.188 4.671 4.740 0.198 0.000 0.186 258 N C 1.324 176.913 175.510 0.131 0.000 1.019 258 N CA 0.910 54.017 53.050 0.095 0.000 0.856 258 N CB -0.328 38.224 38.487 0.109 0.000 0.993 258 N HN 0.294 nan 8.380 nan 0.000 0.426 259 W N 2.644 123.918 121.300 -0.043 0.000 2.315 259 W HA -0.190 4.584 4.660 0.189 0.000 0.323 259 W C 2.441 178.946 176.519 -0.023 0.000 1.233 259 W CA 1.826 59.148 57.345 -0.038 0.000 1.267 259 W CB -0.577 28.855 29.460 -0.047 0.000 1.160 259 W HN -0.022 nan 8.180 nan 0.000 0.474 260 K N 0.660 121.069 120.400 0.016 0.000 1.978 260 K HA -0.302 4.137 4.320 0.198 0.000 0.214 260 K C 2.370 178.881 176.600 -0.150 0.000 1.049 260 K CA 2.251 58.428 56.287 -0.182 0.000 0.939 260 K CB -0.778 31.708 32.500 -0.023 0.000 0.721 260 K HN 0.064 nan 8.250 nan 0.000 0.441 261 K N 0.704 121.072 120.400 -0.052 0.000 2.089 261 K HA -0.166 4.273 4.320 0.198 0.000 0.210 261 K C 1.700 178.263 176.600 -0.061 0.000 1.048 261 K CA 2.106 58.368 56.287 -0.042 0.000 0.926 261 K CB -0.274 32.224 32.500 -0.004 0.000 0.714 261 K HN 0.333 nan 8.250 nan 0.000 0.448 262 S N -0.813 114.847 115.700 -0.067 0.000 2.660 262 S HA 0.120 4.709 4.470 0.198 0.000 0.223 262 S C 0.999 175.527 174.600 -0.121 0.000 0.963 262 S CA 0.445 58.605 58.200 -0.067 0.000 0.932 262 S CB 0.002 63.184 63.200 -0.029 0.000 0.775 262 S HN 0.548 nan 8.310 nan 0.000 0.531 263 G N 1.486 110.179 108.800 -0.179 0.000 2.198 263 G HA2 -0.245 3.834 3.960 0.198 0.000 0.257 263 G HA3 -0.245 3.834 3.960 0.198 0.000 0.257 263 G C 0.398 175.110 174.900 -0.314 0.000 1.042 263 G CA -0.079 44.894 45.100 -0.211 0.000 0.791 263 G HN 1.131 nan 8.290 nan 0.000 0.502 264 L N -1.935 118.958 121.223 -0.549 0.000 4.351 264 L HA -0.174 4.285 4.340 0.198 0.000 0.410 264 L C 0.960 177.648 176.870 -0.303 0.000 1.150 264 L CA 0.763 55.101 54.840 -0.837 0.000 0.961 264 L CB -2.055 39.611 42.059 -0.656 0.000 2.130 264 L HN 0.832 nan 8.230 nan 0.000 0.787 265 S N 0.518 116.127 115.700 -0.152 0.000 2.513 265 S HA 0.528 5.117 4.470 0.198 0.000 0.276 265 S C -1.990 172.688 174.600 0.130 0.000 1.254 265 S CA -1.083 57.121 58.200 0.007 0.000 1.053 265 S CB 1.206 64.399 63.200 -0.012 0.000 0.958 265 S HN -0.002 nan 8.310 nan 0.000 0.491 266 P HA -0.055 nan 4.420 nan 0.000 0.259 266 P C -0.991 176.367 177.300 0.098 0.000 1.155 266 P CA 0.121 63.321 63.100 0.166 0.000 0.759 266 P CB 0.209 31.977 31.700 0.114 0.000 0.753 267 V N 6.236 126.207 119.914 0.096 0.000 2.530 267 V HA 0.204 4.443 4.120 0.198 0.000 0.282 267 V C 0.902 176.976 176.094 -0.035 0.000 1.048 267 V CA 0.134 62.454 62.300 0.034 0.000 0.997 267 V CB 0.517 32.325 31.823 -0.026 0.000 0.987 267 V HN 0.463 nan 8.190 nan 0.000 0.477 268 R N 3.946 124.386 120.500 -0.099 0.000 2.534 268 R HA 0.674 5.133 4.340 0.198 0.000 0.301 268 R C -1.648 174.605 176.300 -0.077 0.000 0.961 268 R CA -0.568 55.281 56.100 -0.418 0.000 0.871 268 R CB 1.865 31.374 30.300 -1.318 0.000 1.170 268 R HN 0.611 nan 8.270 nan 0.000 0.446 269 Y N -0.438 119.976 120.300 0.190 0.000 2.605 269 Y HA 0.706 5.375 4.550 0.199 0.000 0.343 269 Y C 0.640 176.523 175.900 -0.028 0.000 1.036 269 Y CA -0.822 57.302 58.100 0.040 0.000 1.065 269 Y CB 2.611 41.053 38.460 -0.030 0.000 1.288 269 Y HN 0.720 nan 8.280 nan 0.000 0.481 270 G N 0.378 109.102 108.800 -0.127 0.000 2.569 270 G HA2 0.689 4.768 3.960 0.198 0.000 0.300 270 G HA3 0.689 4.768 3.960 0.198 0.000 0.300 270 G C -1.708 172.707 174.900 -0.808 0.000 1.269 270 G CA -0.665 44.099 45.100 -0.560 0.000 0.959 270 G HN 0.480 nan 8.290 nan 0.000 0.478 271 Q N -1.233 117.978 119.800 -0.981 0.000 2.528 271 Q HA 0.284 4.743 4.340 0.198 0.000 0.289 271 Q C 1.662 177.542 176.000 -0.200 0.000 1.091 271 Q CA -0.614 54.742 55.803 -0.745 0.000 0.797 271 Q CB 2.337 30.579 28.738 -0.825 0.000 1.466 271 Q HN 0.842 nan 8.270 nan 0.000 0.436 272 C N -0.466 119.283 119.300 0.749 0.000 2.385 272 C HA -0.182 4.397 4.460 0.198 0.000 0.275 272 C C 2.041 177.269 174.990 0.396 0.000 1.199 272 C CA 1.541 61.083 59.018 0.873 0.000 1.782 272 C CB -1.657 26.811 27.740 1.213 0.000 2.068 272 C HN 1.012 nan 8.230 nan 0.000 0.471 273 W N 1.959 123.379 121.300 0.200 0.000 2.425 273 W HA 0.128 4.904 4.660 0.193 0.000 0.277 273 W C 1.796 178.100 176.519 -0.358 0.000 1.231 273 W CA 1.180 58.472 57.345 -0.088 0.000 1.248 273 W CB -1.127 28.253 29.460 -0.133 0.000 1.117 273 W HN 0.204 nan 8.180 nan 0.000 0.568 274 V N 1.130 120.482 119.914 -0.935 0.000 2.427 274 V HA -0.279 3.960 4.120 0.198 0.000 0.248 274 V C 2.171 177.938 176.094 -0.545 0.000 1.051 274 V CA 1.725 63.521 62.300 -0.840 0.000 1.048 274 V CB -1.134 30.134 31.823 -0.925 0.000 0.666 274 V HN 0.103 nan 8.190 nan 0.000 0.456 275 F N 1.130 120.949 119.950 -0.218 0.000 2.084 275 F HA -0.037 4.609 4.527 0.199 0.000 0.296 275 F C 2.536 178.293 175.800 -0.071 0.000 1.111 275 F CA 1.387 59.331 58.000 -0.092 0.000 1.224 275 F CB -1.235 37.782 39.000 0.027 0.000 0.991 275 F HN 0.073 nan 8.300 nan 0.000 0.471 276 A N 0.352 123.249 122.820 0.129 0.000 1.908 276 A HA -0.087 4.352 4.320 0.198 0.000 0.218 276 A C 2.559 180.120 177.584 -0.038 0.000 1.181 276 A CA 1.923 53.994 52.037 0.056 0.000 0.627 276 A CB -1.634 17.390 19.000 0.040 0.000 0.818 276 A HN 0.419 nan 8.150 nan 0.000 0.445 277 G N -1.219 107.437 108.800 -0.239 0.000 2.421 277 G HA2 -0.141 3.938 3.960 0.198 0.000 0.216 277 G HA3 -0.141 3.938 3.960 0.198 0.000 0.216 277 G C 1.573 176.599 174.900 0.210 0.000 1.171 277 G CA 1.650 46.587 45.100 -0.271 0.000 0.775 277 G HN 0.444 nan 8.290 nan 0.000 0.543 278 T N 1.034 115.665 114.554 0.127 0.000 2.821 278 T HA -0.067 4.402 4.350 0.198 0.000 0.267 278 T C 2.218 176.953 174.700 0.058 0.000 1.046 278 T CA 1.018 63.193 62.100 0.124 0.000 1.139 278 T CB -0.169 68.688 68.868 -0.020 0.000 0.871 278 T HN 0.118 nan 8.240 nan 0.000 0.454 279 L N 2.095 123.344 121.223 0.044 0.000 2.046 279 L HA 0.017 4.476 4.340 0.198 0.000 0.208 279 L C 2.093 178.968 176.870 0.008 0.000 1.077 279 L CA 1.643 56.502 54.840 0.032 0.000 0.747 279 L CB -0.996 41.102 42.059 0.064 0.000 0.896 279 L HN 0.221 nan 8.230 nan 0.000 0.432 280 N N -1.289 117.396 118.700 -0.024 0.000 2.094 280 N HA -0.221 4.638 4.740 0.198 0.000 0.191 280 N C 1.541 176.933 175.510 -0.197 0.000 1.023 280 N CA 2.082 55.037 53.050 -0.158 0.000 0.857 280 N CB 0.058 38.330 38.487 -0.358 0.000 1.013 280 N HN 0.459 nan 8.380 nan 0.000 0.426 281 T N 0.761 115.259 114.554 -0.094 0.000 2.684 281 T HA -0.099 4.370 4.350 0.198 0.000 0.267 281 T C 1.940 176.634 174.700 -0.011 0.000 1.036 281 T CA 1.392 63.474 62.100 -0.030 0.000 1.148 281 T CB -0.357 68.582 68.868 0.119 0.000 0.863 281 T HN 0.408 nan 8.240 nan 0.000 0.436 282 A N 1.005 123.830 122.820 0.009 0.000 1.902 282 A HA 0.034 4.473 4.320 0.198 0.000 0.217 282 A C 2.326 179.943 177.584 0.056 0.000 1.181 282 A CA 1.131 53.185 52.037 0.027 0.000 0.623 282 A CB -0.815 18.188 19.000 0.005 0.000 0.818 282 A HN 0.452 nan 8.150 nan 0.000 0.443 283 L N -1.086 120.162 121.223 0.042 0.000 1.976 283 L HA -0.205 4.254 4.340 0.198 0.000 0.209 283 L C 2.928 179.859 176.870 0.101 0.000 1.071 283 L CA 1.698 56.586 54.840 0.079 0.000 0.746 283 L CB -0.517 41.586 42.059 0.073 0.000 0.890 283 L HN 0.352 nan 8.230 nan 0.000 0.432 284 R N -0.132 120.389 120.500 0.035 0.000 2.105 284 R HA -0.158 4.301 4.340 0.198 0.000 0.239 284 R C 2.575 178.946 176.300 0.118 0.000 1.135 284 R CA 1.694 57.824 56.100 0.049 0.000 0.967 284 R CB -0.471 29.782 30.300 -0.078 0.000 0.861 284 R HN 0.522 nan 8.270 nan 0.000 0.442 285 S N 0.800 116.563 115.700 0.105 0.000 2.368 285 S HA -0.110 4.479 4.470 0.198 0.000 0.225 285 S C 1.850 176.648 174.600 0.330 0.000 1.030 285 S CA 0.927 59.274 58.200 0.245 0.000 0.999 285 S CB -0.221 63.097 63.200 0.197 0.000 0.844 285 S HN 0.088 nan 8.310 nan 0.000 0.459 286 L N 1.621 122.998 121.223 0.256 0.000 2.395 286 L HA 0.323 4.782 4.340 0.198 0.000 0.218 286 L C 1.985 179.112 176.870 0.429 0.000 1.130 286 L CA 1.177 56.193 54.840 0.293 0.000 0.826 286 L CB -0.979 41.261 42.059 0.302 0.000 0.941 286 L HN 0.710 nan 8.230 nan 0.000 0.451 287 G N -0.978 108.067 108.800 0.409 0.000 2.159 287 G HA2 -0.189 3.890 3.960 0.198 0.000 0.170 287 G HA3 -0.189 3.890 3.960 0.198 0.000 0.170 287 G C 0.261 175.371 174.900 0.349 0.000 1.007 287 G CA -0.299 45.073 45.100 0.454 0.000 0.672 287 G HN 0.196 nan 8.290 nan 0.000 0.507 288 I N 1.966 122.679 120.570 0.238 0.000 2.297 288 I HA 0.265 4.554 4.170 0.198 0.000 0.291 288 I C -2.125 174.107 176.117 0.191 0.000 1.033 288 I CA -2.262 59.123 61.300 0.142 0.000 1.253 288 I CB 1.444 39.483 38.000 0.066 0.000 1.396 288 I HN -0.162 nan 8.210 nan 0.000 0.476 289 P HA -0.013 nan 4.420 nan 0.000 0.261 289 P C -0.728 176.730 177.300 0.264 0.000 1.183 289 P CA 0.359 63.577 63.100 0.196 0.000 0.761 289 P CB 0.469 32.231 31.700 0.102 0.000 0.785 290 S N 2.885 118.724 115.700 0.232 0.000 2.556 290 S HA 0.847 5.436 4.470 0.198 0.000 0.271 290 S C -0.932 173.714 174.600 0.078 0.000 1.135 290 S CA -1.106 57.199 58.200 0.176 0.000 0.858 290 S CB 2.455 65.719 63.200 0.107 0.000 1.114 290 S HN 0.548 nan 8.310 nan 0.000 0.468 291 R N -0.139 120.332 120.500 -0.050 0.000 2.740 291 R HA 0.787 5.246 4.340 0.198 0.000 0.273 291 R C -1.773 174.491 176.300 -0.060 0.000 0.998 291 R CA -1.093 54.974 56.100 -0.054 0.000 0.900 291 R CB 1.208 31.374 30.300 -0.223 0.000 1.223 291 R HN 0.419 nan 8.270 nan 0.000 0.466 292 V N 3.023 122.946 119.914 0.015 0.000 2.498 292 V HA 0.321 4.560 4.120 0.198 0.000 0.279 292 V C 0.137 176.185 176.094 -0.077 0.000 1.048 292 V CA -0.514 61.782 62.300 -0.006 0.000 0.967 292 V CB 1.217 33.074 31.823 0.056 0.000 0.988 292 V HN 0.537 nan 8.190 nan 0.000 0.473 293 I N 3.808 124.257 120.570 -0.203 0.000 2.474 293 I HA 0.454 4.743 4.170 0.198 0.000 0.294 293 I C 0.127 175.884 176.117 -0.600 0.000 1.005 293 I CA -0.137 60.932 61.300 -0.386 0.000 1.113 293 I CB 1.933 39.631 38.000 -0.503 0.000 1.289 293 I HN 0.528 nan 8.210 nan 0.000 0.436 294 T N 4.982 119.259 114.554 -0.462 0.000 2.812 294 T HA 0.299 4.768 4.350 0.198 0.000 0.282 294 T C -0.205 174.152 174.700 -0.570 0.000 0.990 294 T CA -0.611 61.190 62.100 -0.497 0.000 0.960 294 T CB 1.236 69.939 68.868 -0.276 0.000 0.948 294 T HN 0.504 nan 8.240 nan 0.000 0.438 295 N N 2.270 120.553 118.700 -0.695 0.000 2.417 295 N HA 0.485 5.344 4.740 0.198 0.000 0.274 295 N C -1.358 173.985 175.510 -0.278 0.000 0.987 295 N CA -0.656 52.118 53.050 -0.460 0.000 0.912 295 N CB 0.406 38.556 38.487 -0.562 0.000 1.177 295 N HN 0.320 nan 8.380 nan 0.000 0.490 296 F N 2.300 122.289 119.950 0.065 0.000 2.385 296 F HA 0.348 4.994 4.527 0.198 0.000 0.336 296 F C 0.907 176.802 175.800 0.159 0.000 1.100 296 F CA -0.468 57.644 58.000 0.187 0.000 1.116 296 F CB 0.752 39.876 39.000 0.206 0.000 1.166 296 F HN 0.481 nan 8.300 nan 0.000 0.511 297 N N 0.910 119.827 118.700 0.362 0.000 2.746 297 N HA -0.222 4.637 4.740 0.198 0.000 0.250 297 N C -0.479 175.136 175.510 0.176 0.000 1.055 297 N CA 0.450 53.653 53.050 0.255 0.000 0.699 297 N CB -1.103 37.507 38.487 0.205 0.000 0.919 297 N HN 0.461 nan 8.380 nan 0.000 0.548 298 S N -0.496 115.313 115.700 0.182 0.000 2.499 298 S HA 0.643 5.232 4.470 0.198 0.000 0.275 298 S C 0.390 175.004 174.600 0.023 0.000 1.257 298 S CA -0.069 58.191 58.200 0.100 0.000 1.050 298 S CB 0.620 63.903 63.200 0.137 0.000 0.937 298 S HN 0.445 nan 8.310 nan 0.000 0.490 299 A N 4.177 126.982 122.820 -0.025 0.000 2.306 299 A HA 0.418 4.856 4.320 0.198 0.000 0.314 299 A C -0.307 177.225 177.584 -0.086 0.000 1.164 299 A CA -0.574 51.448 52.037 -0.025 0.000 0.822 299 A CB 0.340 19.346 19.000 0.010 0.000 1.130 299 A HN 1.021 nan 8.150 nan 0.000 0.496 300 H N 2.423 121.403 119.070 -0.151 0.000 2.643 300 H HA 0.205 4.880 4.556 0.199 0.000 0.259 300 H C -1.035 174.291 175.328 -0.003 0.000 1.298 300 H CA -0.636 55.340 56.048 -0.120 0.000 1.301 300 H CB 0.309 29.997 29.762 -0.123 0.000 1.422 300 H HN 0.699 nan 8.280 nan 0.000 0.521 301 D N 3.641 124.086 120.400 0.075 0.000 2.367 301 D HA -0.021 4.738 4.640 0.198 0.000 0.255 301 D C 0.944 177.229 176.300 -0.026 0.000 1.300 301 D CA 0.112 54.118 54.000 0.010 0.000 0.959 301 D CB 1.013 41.846 40.800 0.056 0.000 1.064 301 D HN 0.528 nan 8.370 nan 0.000 0.509 302 T N 2.269 116.696 114.554 -0.212 0.000 2.803 302 T HA -0.144 4.324 4.350 0.198 0.000 0.269 302 T C 0.187 174.853 174.700 -0.056 0.000 1.052 302 T CA 1.183 63.160 62.100 -0.205 0.000 1.136 302 T CB -0.219 68.508 68.868 -0.235 0.000 0.864 302 T HN 0.605 nan 8.240 nan 0.000 0.467 303 D N 0.213 120.595 120.400 -0.029 0.000 2.492 303 D HA 0.351 5.110 4.640 0.198 0.000 0.248 303 D C -0.748 175.562 176.300 0.018 0.000 1.101 303 D CA -0.838 53.158 54.000 -0.006 0.000 0.840 303 D CB 0.642 41.434 40.800 -0.014 0.000 1.209 303 D HN -0.042 nan 8.370 nan 0.000 0.524 304 R N 1.978 122.490 120.500 0.020 0.000 2.586 304 R HA 0.152 4.611 4.340 0.198 0.000 0.346 304 R C -0.207 176.098 176.300 0.008 0.000 1.044 304 R CA 0.093 56.205 56.100 0.021 0.000 1.004 304 R CB -0.485 29.818 30.300 0.005 0.000 0.968 304 R HN 0.648 nan 8.270 nan 0.000 0.438 305 N N 0.729 119.445 118.700 0.026 0.000 2.093 305 N HA -0.030 4.829 4.740 0.198 0.000 0.226 305 N C -0.771 174.785 175.510 0.076 0.000 1.388 305 N CA -0.424 52.644 53.050 0.029 0.000 0.752 305 N CB 0.281 38.794 38.487 0.043 0.000 1.240 305 N HN 0.203 nan 8.380 nan 0.000 0.529 306 L N 0.412 121.690 121.223 0.092 0.000 3.739 306 L HA -0.185 4.274 4.340 0.198 0.000 0.442 306 L C -0.350 176.682 176.870 0.270 0.000 1.241 306 L CA 0.809 55.772 54.840 0.205 0.000 0.819 306 L CB -2.788 39.380 42.059 0.182 0.000 1.679 306 L HN 0.641 nan 8.230 nan 0.000 0.889 307 S N -1.219 114.581 115.700 0.166 0.000 2.592 307 S HA 0.774 5.363 4.470 0.198 0.000 0.275 307 S C -0.476 174.185 174.600 0.102 0.000 1.169 307 S CA -0.097 58.190 58.200 0.144 0.000 0.958 307 S CB 1.405 64.695 63.200 0.150 0.000 1.095 307 S HN 0.682 nan 8.310 nan 0.000 0.471 308 V N 1.644 121.613 119.914 0.091 0.000 2.667 308 V HA 0.774 5.013 4.120 0.198 0.000 0.308 308 V C -0.887 175.261 176.094 0.091 0.000 1.048 308 V CA -0.721 61.622 62.300 0.073 0.000 0.928 308 V CB 1.850 33.708 31.823 0.058 0.000 1.004 308 V HN 0.801 nan 8.190 nan 0.000 0.444 309 D N 2.660 123.114 120.400 0.090 0.000 2.362 309 D HA 0.609 5.368 4.640 0.198 0.000 0.247 309 D C -0.541 175.779 176.300 0.033 0.000 1.050 309 D CA -0.142 53.912 54.000 0.089 0.000 0.839 309 D CB 2.633 43.449 40.800 0.026 0.000 1.283 309 D HN 0.870 nan 8.370 nan 0.000 0.477 310 V N -0.406 119.494 119.914 -0.024 0.000 2.656 310 V HA 0.670 4.909 4.120 0.198 0.000 0.307 310 V C -1.606 174.414 176.094 -0.124 0.000 1.051 310 V CA -0.564 61.726 62.300 -0.017 0.000 0.893 310 V CB 1.316 33.145 31.823 0.010 0.000 0.999 310 V HN 0.389 nan 8.190 nan 0.000 0.426 311 Y N 3.302 123.505 120.300 -0.162 0.000 2.587 311 Y HA 0.881 5.550 4.550 0.198 0.000 0.337 311 Y C -0.561 175.086 175.900 -0.421 0.000 1.065 311 Y CA -0.971 57.057 58.100 -0.121 0.000 1.126 311 Y CB 2.146 40.555 38.460 -0.085 0.000 1.279 311 Y HN 0.760 nan 8.280 nan 0.000 0.489 312 Y N -0.582 119.804 120.300 0.144 0.000 2.638 312 Y HA 0.358 5.027 4.550 0.198 0.000 0.335 312 Y C -1.141 174.762 175.900 0.005 0.000 1.155 312 Y CA -1.533 56.588 58.100 0.035 0.000 1.046 312 Y CB 1.766 40.231 38.460 0.008 0.000 1.303 312 Y HN 0.605 nan 8.280 nan 0.000 0.460 313 D N -0.181 120.310 120.400 0.153 0.000 2.299 313 D HA 0.413 5.171 4.640 0.198 0.000 0.243 313 D C -2.542 173.806 176.300 0.080 0.000 0.982 313 D CA -2.551 51.478 54.000 0.050 0.000 0.924 313 D CB 1.729 42.524 40.800 -0.008 0.000 1.238 313 D HN 0.063 nan 8.370 nan 0.000 0.484 314 P HA -0.122 nan 4.420 nan 0.000 0.221 314 P C 1.045 178.394 177.300 0.082 0.000 1.141 314 P CA 1.102 64.271 63.100 0.115 0.000 0.794 314 P CB 0.053 31.850 31.700 0.163 0.000 0.764 315 M N -2.743 116.897 119.600 0.067 0.000 2.561 315 M HA 0.244 4.843 4.480 0.198 0.000 0.238 315 M C 1.331 177.671 176.300 0.068 0.000 1.131 315 M CA 0.768 56.099 55.300 0.052 0.000 1.046 315 M CB -1.212 31.412 32.600 0.040 0.000 1.532 315 M HN 0.119 nan 8.290 nan 0.000 0.497 316 G N 1.137 109.994 108.800 0.094 0.000 2.141 316 G HA2 -0.213 3.866 3.960 0.198 0.000 0.242 316 G HA3 -0.213 3.866 3.960 0.198 0.000 0.242 316 G C 0.096 175.124 174.900 0.213 0.000 0.982 316 G CA -0.207 44.963 45.100 0.117 0.000 0.662 316 G HN 0.445 nan 8.290 nan 0.000 0.527 317 N N 1.452 120.277 118.700 0.210 0.000 2.472 317 N HA 0.433 5.292 4.740 0.198 0.000 0.277 317 N C -2.804 172.750 175.510 0.073 0.000 1.081 317 N CA -1.005 52.166 53.050 0.203 0.000 0.973 317 N CB 1.548 40.152 38.487 0.195 0.000 1.105 317 N HN 0.075 nan 8.380 nan 0.000 0.470 318 P HA 0.231 nan 4.420 nan 0.000 0.280 318 P C -0.461 176.529 177.300 -0.517 0.000 1.244 318 P CA -0.417 62.419 63.100 -0.440 0.000 0.784 318 P CB 0.844 32.261 31.700 -0.472 0.000 0.913 319 L N 2.979 123.952 121.223 -0.417 0.000 2.375 319 L HA 0.261 4.720 4.340 0.198 0.000 0.268 319 L C 1.277 177.973 176.870 -0.289 0.000 1.058 319 L CA 0.415 55.078 54.840 -0.295 0.000 0.803 319 L CB 0.367 42.331 42.059 -0.158 0.000 1.212 319 L HN 0.299 nan 8.230 nan 0.000 0.451 320 D N -0.186 120.071 120.400 -0.238 0.000 2.149 320 D HA -0.102 4.657 4.640 0.198 0.000 0.201 320 D C 0.665 176.873 176.300 -0.153 0.000 0.972 320 D CA 0.991 54.877 54.000 -0.190 0.000 0.835 320 D CB 0.006 40.718 40.800 -0.147 0.000 0.966 320 D HN 0.325 nan 8.370 nan 0.000 0.476 321 K N 0.984 121.276 120.400 -0.180 0.000 2.160 321 K HA 0.118 4.556 4.320 0.198 0.000 0.263 321 K C -0.049 176.504 176.600 -0.078 0.000 1.120 321 K CA 0.474 56.635 56.287 -0.210 0.000 1.115 321 K CB -0.838 31.395 32.500 -0.445 0.000 0.971 321 K HN 0.251 nan 8.250 nan 0.000 0.400 322 G N 2.710 111.489 108.800 -0.034 0.000 2.643 322 G HA2 -0.217 3.862 3.960 0.198 0.000 0.280 322 G HA3 -0.217 3.862 3.960 0.198 0.000 0.280 322 G C 0.143 175.033 174.900 -0.016 0.000 1.120 322 G CA 0.204 45.323 45.100 0.031 0.000 1.165 322 G HN 0.738 nan 8.290 nan 0.000 0.540 323 S N -1.179 114.482 115.700 -0.066 0.000 2.787 323 S HA 0.325 4.914 4.470 0.198 0.000 0.255 323 S C 0.735 175.292 174.600 -0.073 0.000 1.051 323 S CA 0.817 58.950 58.200 -0.112 0.000 1.124 323 S CB 0.604 63.688 63.200 -0.193 0.000 1.104 323 S HN 0.808 nan 8.310 nan 0.000 0.623 324 D N 0.243 120.623 120.400 -0.034 0.000 2.636 324 D HA 0.318 5.077 4.640 0.198 0.000 0.270 324 D C 0.414 176.817 176.300 0.172 0.000 1.430 324 D CA -0.215 53.770 54.000 -0.026 0.000 0.796 324 D CB -0.154 40.572 40.800 -0.124 0.000 1.117 324 D HN 0.194 nan 8.370 nan 0.000 0.480 325 S N -0.577 115.209 115.700 0.144 0.000 2.524 325 S HA 0.168 4.757 4.470 0.198 0.000 0.216 325 S C 0.569 175.284 174.600 0.192 0.000 0.987 325 S CA -0.052 58.243 58.200 0.157 0.000 0.909 325 S CB 0.837 64.071 63.200 0.056 0.000 0.781 325 S HN 0.206 nan 8.310 nan 0.000 0.521 326 V N 2.735 122.786 119.914 0.228 0.000 2.380 326 V HA 0.293 4.532 4.120 0.198 0.000 0.272 326 V C -1.178 175.110 176.094 0.323 0.000 1.011 326 V CA -1.008 61.424 62.300 0.220 0.000 0.826 326 V CB 0.263 32.174 31.823 0.147 0.000 1.040 326 V HN 0.397 nan 8.190 nan 0.000 0.441 327 W N 2.588 123.883 121.300 -0.008 0.000 2.181 327 W HA 0.265 5.043 4.660 0.196 0.000 0.335 327 W C 1.653 178.225 176.519 0.089 0.000 1.310 327 W CA -0.585 56.736 57.345 -0.040 0.000 1.226 327 W CB -0.150 29.255 29.460 -0.091 0.000 1.155 327 W HN 0.499 nan 8.180 nan 0.000 0.565 328 N N 1.078 119.975 118.700 0.330 0.000 2.272 328 N HA -0.152 4.707 4.740 0.198 0.000 0.185 328 N C -0.203 175.656 175.510 0.581 0.000 1.014 328 N CA 1.343 54.653 53.050 0.434 0.000 0.870 328 N CB -0.015 38.756 38.487 0.474 0.000 0.975 328 N HN 0.361 nan 8.380 nan 0.000 0.433 329 F N -2.167 118.051 119.950 0.447 0.000 2.725 329 F HA 0.435 5.080 4.527 0.197 0.000 0.311 329 F C -1.259 174.853 175.800 0.520 0.000 1.121 329 F CA -1.321 56.776 58.000 0.162 0.000 0.978 329 F CB 0.856 39.670 39.000 -0.310 0.000 1.274 329 F HN -0.198 nan 8.300 nan 0.000 0.440 330 H N 1.630 120.874 119.070 0.290 0.000 2.806 330 H HA 0.836 5.512 4.556 0.199 0.000 0.367 330 H C -2.086 173.325 175.328 0.139 0.000 1.136 330 H CA -1.001 55.249 56.048 0.337 0.000 1.178 330 H CB 2.224 32.031 29.762 0.075 0.000 1.718 330 H HN 0.733 nan 8.280 nan 0.000 0.540 331 V N 5.282 125.042 119.914 -0.256 0.000 2.581 331 V HA 0.527 4.766 4.120 0.198 0.000 0.303 331 V C -0.784 175.093 176.094 -0.362 0.000 1.041 331 V CA -0.320 61.768 62.300 -0.353 0.000 0.907 331 V CB 1.039 32.875 31.823 0.022 0.000 0.994 331 V HN 0.915 nan 8.190 nan 0.000 0.442 332 W N 3.089 124.246 121.300 -0.239 0.000 3.163 332 W HA 0.728 5.505 4.660 0.196 0.000 0.395 332 W C -1.311 175.178 176.519 -0.050 0.000 1.100 332 W CA -1.020 56.249 57.345 -0.128 0.000 1.134 332 W CB 0.648 30.039 29.460 -0.114 0.000 1.496 332 W HN 0.407 nan 8.180 nan 0.000 0.605 333 N N -0.320 118.643 118.700 0.439 0.000 2.577 333 N HA 0.583 5.442 4.740 0.198 0.000 0.285 333 N C -1.755 173.939 175.510 0.306 0.000 1.309 333 N CA -1.070 52.133 53.050 0.256 0.000 0.798 333 N CB 2.018 40.595 38.487 0.150 0.000 1.463 333 N HN 0.457 nan 8.380 nan 0.000 0.518 334 E N -0.722 119.579 120.200 0.168 0.000 2.278 334 E HA 0.518 4.987 4.350 0.198 0.000 0.272 334 E C -0.992 175.778 176.600 0.284 0.000 0.890 334 E CA -0.885 55.633 56.400 0.197 0.000 0.770 334 E CB 2.081 31.811 29.700 0.050 0.000 1.212 334 E HN 0.586 nan 8.360 nan 0.000 0.415 335 G N 1.903 110.832 108.800 0.216 0.000 2.389 335 G HA2 0.302 4.381 3.960 0.198 0.000 0.328 335 G HA3 0.302 4.381 3.960 0.198 0.000 0.328 335 G C -1.346 173.477 174.900 -0.128 0.000 1.133 335 G CA -0.508 44.709 45.100 0.195 0.000 0.891 335 G HN 0.455 nan 8.290 nan 0.000 0.485 336 W N 4.234 125.388 121.300 -0.244 0.000 2.294 336 W HA 0.608 5.386 4.660 0.196 0.000 0.314 336 W C -1.780 174.574 176.519 -0.275 0.000 1.044 336 W CA -1.157 55.845 57.345 -0.572 0.000 1.284 336 W CB 0.762 29.754 29.460 -0.780 0.000 1.231 336 W HN 0.440 nan 8.180 nan 0.000 0.419 337 F N 2.997 122.562 119.950 -0.642 0.000 2.746 337 F HA 0.403 5.048 4.527 0.195 0.000 0.311 337 F C -0.703 174.832 175.800 -0.441 0.000 1.135 337 F CA -1.699 56.025 58.000 -0.461 0.000 0.954 337 F CB -0.427 38.429 39.000 -0.241 0.000 1.276 337 F HN 0.095 nan 8.300 nan 0.000 0.440 338 V N 0.292 120.173 119.914 -0.056 0.000 3.096 338 V HA 0.578 4.817 4.120 0.198 0.000 0.306 338 V C -0.039 176.104 176.094 0.081 0.000 1.088 338 V CA -0.565 61.698 62.300 -0.062 0.000 1.129 338 V CB 0.883 32.695 31.823 -0.017 0.000 1.014 338 V HN 0.863 nan 8.190 nan 0.000 0.486 339 R N 2.667 123.196 120.500 0.048 0.000 2.505 339 R HA 0.308 4.767 4.340 0.198 0.000 0.284 339 R C 1.325 177.672 176.300 0.080 0.000 1.324 339 R CA 0.447 56.608 56.100 0.101 0.000 1.432 339 R CB 0.704 31.062 30.300 0.097 0.000 1.107 339 R HN 1.091 nan 8.270 nan 0.000 0.587 340 S N 0.230 115.974 115.700 0.073 0.000 2.419 340 S HA -0.180 4.409 4.470 0.198 0.000 0.235 340 S C 1.200 175.830 174.600 0.050 0.000 1.019 340 S CA 1.485 59.719 58.200 0.056 0.000 0.982 340 S CB 0.010 63.241 63.200 0.053 0.000 0.789 340 S HN 0.524 nan 8.310 nan 0.000 0.490 341 D N 1.320 121.753 120.400 0.055 0.000 2.323 341 D HA 0.011 4.770 4.640 0.198 0.000 0.209 341 D C 1.783 178.079 176.300 -0.006 0.000 0.973 341 D CA 0.427 54.442 54.000 0.026 0.000 0.874 341 D CB -0.298 40.525 40.800 0.037 0.000 0.930 341 D HN 0.505 nan 8.370 nan 0.000 0.521 342 L N -0.772 120.461 121.223 0.016 0.000 2.467 342 L HA 0.415 4.874 4.340 0.198 0.000 0.213 342 L C 1.326 178.290 176.870 0.157 0.000 1.053 342 L CA 0.439 55.270 54.840 -0.015 0.000 0.847 342 L CB 0.230 42.232 42.059 -0.095 0.000 1.075 342 L HN 0.288 nan 8.230 nan 0.000 0.479 343 G N -0.561 108.342 108.800 0.173 0.000 2.353 343 G HA2 -0.040 4.039 3.960 0.198 0.000 0.424 343 G HA3 -0.040 4.039 3.960 0.198 0.000 0.424 343 G C -2.691 172.266 174.900 0.096 0.000 1.320 343 G CA -0.632 44.564 45.100 0.160 0.000 0.995 343 G HN -0.234 nan 8.290 nan 0.000 0.580 344 P HA 0.096 nan 4.420 nan 0.000 0.220 344 P C 1.922 179.158 177.300 -0.106 0.000 1.152 344 P CA 1.752 64.832 63.100 -0.033 0.000 0.812 344 P CB 0.164 31.846 31.700 -0.031 0.000 0.792 345 S N -1.547 114.033 115.700 -0.201 0.000 2.423 345 S HA -0.102 4.487 4.470 0.198 0.000 0.231 345 S C 0.956 175.244 174.600 -0.519 0.000 1.014 345 S CA 1.014 58.962 58.200 -0.419 0.000 0.965 345 S CB -0.928 61.881 63.200 -0.651 0.000 0.785 345 S HN 0.298 nan 8.310 nan 0.000 0.495 346 Y N 1.799 122.058 120.300 -0.069 0.000 2.532 346 Y HA 0.413 5.082 4.550 0.197 0.000 0.283 346 Y C 1.533 177.341 175.900 -0.154 0.000 1.181 346 Y CA -0.786 57.260 58.100 -0.090 0.000 1.256 346 Y CB -0.457 37.966 38.460 -0.061 0.000 1.112 346 Y HN 0.186 nan 8.280 nan 0.000 0.521 347 G N -0.248 108.482 108.800 -0.117 0.000 2.621 347 G HA2 0.488 4.566 3.960 0.198 0.000 0.271 347 G HA3 0.488 4.566 3.960 0.198 0.000 0.271 347 G C 0.535 175.134 174.900 -0.502 0.000 1.236 347 G CA 0.330 45.263 45.100 -0.279 0.000 0.958 347 G HN 0.570 nan 8.290 nan 0.000 0.512 348 G N -1.431 106.774 108.800 -0.992 0.000 2.443 348 G HA2 -0.156 3.923 3.960 0.198 0.000 0.209 348 G HA3 -0.156 3.923 3.960 0.198 0.000 0.209 348 G C -0.380 173.808 174.900 -1.188 0.000 1.176 348 G CA -0.273 43.867 45.100 -1.601 0.000 1.074 348 G HN 0.798 nan 8.290 nan 0.000 0.577 349 W N 2.276 123.364 121.300 -0.354 0.000 2.303 349 W HA 0.560 5.335 4.660 0.193 0.000 0.318 349 W C 0.452 176.800 176.519 -0.286 0.000 1.362 349 W CA -0.278 56.970 57.345 -0.163 0.000 1.234 349 W CB 0.784 30.242 29.460 -0.004 0.000 1.248 349 W HN 0.335 nan 8.180 nan 0.000 0.546 350 Q N 2.878 122.634 119.800 -0.072 0.000 2.331 350 Q HA 0.323 4.782 4.340 0.198 0.000 0.267 350 Q C -0.612 175.408 176.000 0.033 0.000 1.006 350 Q CA -1.031 54.687 55.803 -0.142 0.000 0.818 350 Q CB 1.907 30.353 28.738 -0.486 0.000 1.276 350 Q HN 0.234 nan 8.270 nan 0.000 0.450 351 V N 4.157 124.105 119.914 0.056 0.000 2.470 351 V HA 0.214 4.453 4.120 0.198 0.000 0.276 351 V C 0.201 176.314 176.094 0.032 0.000 1.040 351 V CA 0.004 62.334 62.300 0.049 0.000 1.008 351 V CB 0.164 31.942 31.823 -0.077 0.000 0.990 351 V HN 0.534 nan 8.190 nan 0.000 0.477 352 L N 4.888 126.158 121.223 0.078 0.000 2.376 352 L HA 0.577 5.036 4.340 0.198 0.000 0.275 352 L C -0.754 176.173 176.870 0.094 0.000 0.987 352 L CA -0.337 54.548 54.840 0.076 0.000 0.828 352 L CB 2.043 44.171 42.059 0.115 0.000 1.249 352 L HN 0.527 nan 8.230 nan 0.000 0.409 353 D N 2.412 122.843 120.400 0.052 0.000 2.469 353 D HA 0.393 5.152 4.640 0.198 0.000 0.251 353 D C 0.337 176.671 176.300 0.056 0.000 1.173 353 D CA -0.297 53.769 54.000 0.110 0.000 0.882 353 D CB 2.326 43.199 40.800 0.121 0.000 1.129 353 D HN 0.581 nan 8.370 nan 0.000 0.549 354 A N 2.821 125.681 122.820 0.066 0.000 2.238 354 A HA 0.101 4.540 4.320 0.198 0.000 0.208 354 A C 0.951 178.384 177.584 -0.252 0.000 1.177 354 A CA 0.244 52.268 52.037 -0.022 0.000 0.804 354 A CB -0.051 18.987 19.000 0.064 0.000 0.823 354 A HN 0.435 nan 8.150 nan 0.000 0.482 355 T N 3.925 118.363 114.554 -0.194 0.000 2.752 355 T HA 0.300 4.768 4.350 0.198 0.000 0.295 355 T C -2.552 171.975 174.700 -0.288 0.000 0.923 355 T CA -0.737 61.101 62.100 -0.438 0.000 1.112 355 T CB 0.726 69.678 68.868 0.140 0.000 0.884 355 T HN 0.228 nan 8.240 nan 0.000 0.525 356 P HA 0.099 nan 4.420 nan 0.000 0.263 356 P C -0.055 177.193 177.300 -0.086 0.000 1.276 356 P CA 0.335 63.333 63.100 -0.171 0.000 0.986 356 P CB 0.674 32.053 31.700 -0.534 0.000 1.105 357 Q N 1.367 121.135 119.800 -0.054 0.000 2.527 357 Q HA 0.095 4.554 4.340 0.198 0.000 0.252 357 Q C 0.007 175.876 176.000 -0.217 0.000 0.827 357 Q CA 0.257 55.911 55.803 -0.249 0.000 0.979 357 Q CB 0.811 29.235 28.738 -0.522 0.000 1.248 357 Q HN 0.375 nan 8.270 nan 0.000 0.578 358 E N 0.437 120.418 120.200 -0.365 0.000 2.272 358 E HA 0.277 4.746 4.350 0.198 0.000 0.269 358 E C -1.300 174.997 176.600 -0.505 0.000 0.877 358 E CA -0.439 55.685 56.400 -0.459 0.000 0.755 358 E CB 1.241 30.366 29.700 -0.957 0.000 1.192 358 E HN -0.063 nan 8.360 nan 0.000 0.422 359 R N 2.098 122.259 120.500 -0.565 0.000 2.389 359 R HA 0.289 4.748 4.340 0.198 0.000 0.295 359 R C -0.708 175.349 176.300 -0.406 0.000 1.075 359 R CA -0.084 55.599 56.100 -0.695 0.000 1.005 359 R CB 1.259 31.187 30.300 -0.620 0.000 0.987 359 R HN 0.399 nan 8.270 nan 0.000 0.452 360 S N 2.234 117.732 115.700 -0.337 0.000 2.552 360 S HA 0.101 4.690 4.470 0.198 0.000 0.314 360 S C -0.251 174.267 174.600 -0.138 0.000 1.099 360 S CA -0.464 57.618 58.200 -0.196 0.000 1.070 360 S CB 0.852 63.957 63.200 -0.159 0.000 0.998 360 S HN 0.704 nan 8.310 nan 0.000 0.474 361 Q N 2.779 122.525 119.800 -0.089 0.000 2.461 361 Q HA -0.257 4.202 4.340 0.198 0.000 0.273 361 Q C 0.986 176.939 176.000 -0.078 0.000 1.163 361 Q CA 0.947 56.718 55.803 -0.054 0.000 0.929 361 Q CB -1.874 26.856 28.738 -0.013 0.000 1.334 361 Q HN 1.562 nan 8.270 nan 0.000 0.499 362 G N -2.476 106.249 108.800 -0.125 0.000 2.225 362 G HA2 -0.322 3.757 3.960 0.198 0.000 0.254 362 G HA3 -0.322 3.757 3.960 0.198 0.000 0.254 362 G C 0.238 175.034 174.900 -0.172 0.000 0.988 362 G CA 0.166 45.186 45.100 -0.134 0.000 0.625 362 G HN 0.366 nan 8.290 nan 0.000 0.527 363 V N 0.310 120.119 119.914 -0.175 0.000 2.994 363 V HA 0.709 4.948 4.120 0.198 0.000 0.318 363 V C 0.077 176.022 176.094 -0.248 0.000 1.085 363 V CA -0.833 61.382 62.300 -0.143 0.000 0.998 363 V CB 1.705 33.497 31.823 -0.052 0.000 1.063 363 V HN 0.156 nan 8.190 nan 0.000 0.447 364 F N 3.626 123.529 119.950 -0.078 0.000 2.567 364 F HA 0.364 5.010 4.527 0.198 0.000 0.352 364 F C 0.726 176.450 175.800 -0.126 0.000 1.229 364 F CA -0.016 57.916 58.000 -0.112 0.000 1.228 364 F CB 0.029 38.971 39.000 -0.096 0.000 1.568 364 F HN 0.531 nan 8.300 nan 0.000 0.634 365 Q N 1.212 120.983 119.800 -0.048 0.000 2.544 365 Q HA 0.763 5.222 4.340 0.198 0.000 0.291 365 Q C -1.572 174.358 176.000 -0.117 0.000 1.068 365 Q CA -1.062 54.695 55.803 -0.077 0.000 0.785 365 Q CB 2.603 31.277 28.738 -0.107 0.000 1.481 365 Q HN 0.353 nan 8.270 nan 0.000 0.430 366 C N 0.197 119.436 119.300 -0.103 0.000 3.046 366 C HA 0.786 5.364 4.460 0.198 0.000 0.388 366 C C 0.030 174.985 174.990 -0.057 0.000 1.041 366 C CA 1.157 60.123 59.018 -0.087 0.000 1.241 366 C CB 0.712 28.402 27.740 -0.084 0.000 1.638 366 C HN 1.427 nan 8.230 nan 0.000 0.539 367 G N 6.208 114.994 108.800 -0.023 0.000 2.712 367 G HA2 0.051 4.130 3.960 0.198 0.000 0.683 367 G HA3 0.051 4.130 3.960 0.198 0.000 0.683 367 G C -3.295 171.536 174.900 -0.116 0.000 1.320 367 G CA -0.323 44.780 45.100 0.006 0.000 0.847 367 G HN 0.780 nan 8.290 nan 0.000 0.553 368 P HA 0.557 nan 4.420 nan 0.000 0.292 368 P C -0.403 177.036 177.300 0.232 0.000 1.287 368 P CA 0.340 63.537 63.100 0.161 0.000 0.800 368 P CB 1.607 33.480 31.700 0.288 0.000 0.945 369 A N 2.692 125.588 122.820 0.127 0.000 2.331 369 A HA 0.459 4.898 4.320 0.198 0.000 0.320 369 A C 0.295 177.906 177.584 0.044 0.000 1.138 369 A CA -0.724 51.370 52.037 0.094 0.000 0.790 369 A CB 0.811 19.853 19.000 0.071 0.000 1.206 369 A HN 0.475 nan 8.150 nan 0.000 0.470 370 S N 1.892 117.610 115.700 0.030 0.000 2.525 370 S HA 0.160 4.749 4.470 0.198 0.000 0.285 370 S C 1.325 175.937 174.600 0.020 0.000 1.283 370 S CA -0.289 57.927 58.200 0.027 0.000 1.072 370 S CB 0.146 63.411 63.200 0.108 0.000 0.867 370 S HN 0.714 nan 8.310 nan 0.000 0.492 371 V N 7.301 127.192 119.914 -0.039 0.000 2.358 371 V HA -0.157 4.082 4.120 0.198 0.000 0.246 371 V C 2.128 178.156 176.094 -0.109 0.000 1.047 371 V CA 1.797 63.995 62.300 -0.171 0.000 1.035 371 V CB -0.682 30.955 31.823 -0.311 0.000 0.658 371 V HN 0.901 nan 8.190 nan 0.000 0.452 372 I N 0.947 121.498 120.570 -0.031 0.000 2.361 372 I HA -0.163 4.125 4.170 0.198 0.000 0.251 372 I C 2.543 178.720 176.117 0.099 0.000 1.133 372 I CA 1.619 62.917 61.300 -0.003 0.000 1.413 372 I CB -0.848 37.135 38.000 -0.029 0.000 1.073 372 I HN 0.414 nan 8.210 nan 0.000 0.424 373 G N 0.534 109.455 108.800 0.201 0.000 2.404 373 G HA2 -0.170 3.909 3.960 0.198 0.000 0.215 373 G HA3 -0.170 3.909 3.960 0.198 0.000 0.215 373 G C 1.699 176.711 174.900 0.186 0.000 1.174 373 G CA 0.675 45.932 45.100 0.262 0.000 0.780 373 G HN 0.228 nan 8.290 nan 0.000 0.537 374 V N 0.782 120.792 119.914 0.161 0.000 2.469 374 V HA -0.171 4.068 4.120 0.198 0.000 0.251 374 V C 2.726 179.020 176.094 0.333 0.000 1.064 374 V CA 2.036 64.501 62.300 0.275 0.000 1.066 374 V CB -0.436 31.516 31.823 0.215 0.000 0.667 374 V HN 0.412 nan 8.190 nan 0.000 0.461 375 R N -0.109 120.496 120.500 0.174 0.000 2.235 375 R HA -0.082 4.377 4.340 0.198 0.000 0.213 375 R C 1.501 177.972 176.300 0.285 0.000 1.059 375 R CA 0.914 57.095 56.100 0.134 0.000 0.997 375 R CB 0.167 30.422 30.300 -0.075 0.000 0.884 375 R HN 0.466 nan 8.270 nan 0.000 0.462 376 E N -0.922 119.448 120.200 0.284 0.000 2.498 376 E HA 0.119 4.588 4.350 0.198 0.000 0.203 376 E C 0.729 177.446 176.600 0.195 0.000 1.013 376 E CA 0.531 57.099 56.400 0.281 0.000 0.927 376 E CB 1.176 31.008 29.700 0.219 0.000 1.012 376 E HN 0.487 nan 8.360 nan 0.000 0.482 377 G N 2.431 111.347 108.800 0.193 0.000 2.166 377 G HA2 -0.262 3.817 3.960 0.198 0.000 0.260 377 G HA3 -0.262 3.817 3.960 0.198 0.000 0.260 377 G C 0.102 174.905 174.900 -0.162 0.000 0.986 377 G CA 0.457 45.468 45.100 -0.150 0.000 0.683 377 G HN 0.178 nan 8.290 nan 0.000 0.527 378 D N 0.771 121.154 120.400 -0.029 0.000 2.948 378 D HA 0.150 4.909 4.640 0.198 0.000 0.241 378 D C 2.298 178.525 176.300 -0.121 0.000 1.198 378 D CA 0.612 54.580 54.000 -0.054 0.000 0.926 378 D CB -0.141 40.671 40.800 0.019 0.000 1.151 378 D HN 0.626 nan 8.370 nan 0.000 0.441 379 V N -1.018 118.789 119.914 -0.179 0.000 3.140 379 V HA -0.302 3.937 4.120 0.198 0.000 0.269 379 V C 1.559 177.564 176.094 -0.147 0.000 1.149 379 V CA 1.252 63.448 62.300 -0.174 0.000 1.162 379 V CB -0.834 30.825 31.823 -0.273 0.000 0.756 379 V HN 0.111 nan 8.190 nan 0.000 0.523 380 Q N 0.470 120.179 119.800 -0.152 0.000 2.451 380 Q HA 0.345 4.804 4.340 0.198 0.000 0.206 380 Q C 0.678 176.574 176.000 -0.174 0.000 0.947 380 Q CA 0.491 56.207 55.803 -0.145 0.000 0.937 380 Q CB -0.646 28.015 28.738 -0.129 0.000 1.025 380 Q HN 0.655 nan 8.270 nan 0.000 0.511 381 L N 0.992 122.091 121.223 -0.206 0.000 2.456 381 L HA 0.237 4.696 4.340 0.198 0.000 0.257 381 L C 0.191 176.903 176.870 -0.264 0.000 1.162 381 L CA -0.542 54.138 54.840 -0.267 0.000 0.808 381 L CB 0.574 42.416 42.059 -0.361 0.000 1.136 381 L HN 0.176 nan 8.230 nan 0.000 0.466 382 N N -0.092 118.378 118.700 -0.383 0.000 2.508 382 N HA 0.496 5.355 4.740 0.198 0.000 0.285 382 N C -1.358 174.046 175.510 -0.177 0.000 1.144 382 N CA -0.526 52.184 53.050 -0.568 0.000 0.978 382 N CB 1.075 38.666 38.487 -1.494 0.000 1.180 382 N HN 0.181 nan 8.380 nan 0.000 0.484 383 F N -0.146 119.789 119.950 -0.025 0.000 2.561 383 F HA 0.266 4.913 4.527 0.201 0.000 0.321 383 F C 0.298 176.089 175.800 -0.015 0.000 1.065 383 F CA -0.886 57.099 58.000 -0.024 0.000 0.934 383 F CB 1.106 40.095 39.000 -0.017 0.000 1.215 383 F HN 0.419 nan 8.300 nan 0.000 0.471 384 D N 1.608 122.112 120.400 0.173 0.000 2.702 384 D HA -0.208 4.551 4.640 0.198 0.000 0.233 384 D C 1.292 177.672 176.300 0.132 0.000 1.164 384 D CA 0.483 54.556 54.000 0.123 0.000 0.638 384 D CB -0.524 40.338 40.800 0.104 0.000 1.041 384 D HN 0.435 nan 8.370 nan 0.000 0.422 385 M N -1.365 118.279 119.600 0.074 0.000 2.099 385 M HA -0.082 4.517 4.480 0.198 0.000 0.262 385 M C -0.537 175.818 176.300 0.091 0.000 1.067 385 M CA 1.599 56.937 55.300 0.063 0.000 1.124 385 M CB -1.763 30.834 32.600 -0.005 0.000 1.353 385 M HN 0.055 nan 8.290 nan 0.000 0.410 386 P HA -0.201 nan 4.420 nan 0.000 0.216 386 P C 1.596 178.980 177.300 0.141 0.000 1.153 386 P CA 1.303 64.440 63.100 0.063 0.000 0.858 386 P CB -0.350 31.366 31.700 0.027 0.000 0.789 387 F N 0.112 120.069 119.950 0.012 0.000 2.075 387 F HA -0.163 4.482 4.527 0.197 0.000 0.297 387 F C 2.017 177.807 175.800 -0.016 0.000 1.113 387 F CA 1.526 59.525 58.000 -0.002 0.000 1.218 387 F CB -0.934 38.039 39.000 -0.044 0.000 0.984 387 F HN -0.237 nan 8.300 nan 0.000 0.472 388 I N -0.811 119.649 120.570 -0.184 0.000 2.394 388 I HA -0.262 4.026 4.170 0.198 0.000 0.251 388 I C 2.288 178.298 176.117 -0.179 0.000 1.136 388 I CA 1.214 62.302 61.300 -0.353 0.000 1.425 388 I CB -0.601 37.286 38.000 -0.188 0.000 1.079 388 I HN 0.208 nan 8.210 nan 0.000 0.425 389 F N 1.712 121.587 119.950 -0.125 0.000 2.084 389 F HA -0.203 4.442 4.527 0.198 0.000 0.296 389 F C 2.530 178.308 175.800 -0.036 0.000 1.111 389 F CA 1.578 59.556 58.000 -0.036 0.000 1.224 389 F CB -0.235 38.755 39.000 -0.016 0.000 0.991 389 F HN -0.010 nan 8.300 nan 0.000 0.471 390 A N -0.410 122.499 122.820 0.147 0.000 2.019 390 A HA -0.228 4.211 4.320 0.198 0.000 0.219 390 A C 2.091 179.624 177.584 -0.085 0.000 1.164 390 A CA 1.714 53.800 52.037 0.083 0.000 0.644 390 A CB -0.955 18.092 19.000 0.078 0.000 0.805 390 A HN 0.570 nan 8.150 nan 0.000 0.449 391 E N -0.467 119.583 120.200 -0.249 0.000 2.265 391 E HA -0.124 4.344 4.350 0.198 0.000 0.196 391 E C 1.515 178.040 176.600 -0.124 0.000 0.996 391 E CA 1.508 57.737 56.400 -0.286 0.000 0.832 391 E CB 0.003 29.385 29.700 -0.530 0.000 0.756 391 E HN 0.632 nan 8.360 nan 0.000 0.491 392 V N -3.906 115.918 119.914 -0.151 0.000 3.548 392 V HA 0.313 4.552 4.120 0.198 0.000 0.279 392 V C 0.686 176.683 176.094 -0.163 0.000 1.446 392 V CA 0.224 62.448 62.300 -0.127 0.000 1.023 392 V CB 0.289 32.035 31.823 -0.129 0.000 0.820 392 V HN 0.040 nan 8.190 nan 0.000 0.438 393 N N 0.850 119.432 118.700 -0.196 0.000 2.145 393 N HA 0.571 5.430 4.740 0.198 0.000 0.219 393 N C 0.826 176.423 175.510 0.146 0.000 1.266 393 N CA 0.478 53.474 53.050 -0.090 0.000 0.902 393 N CB 0.987 39.312 38.487 -0.271 0.000 1.078 393 N HN 0.546 nan 8.380 nan 0.000 0.513 394 A N 0.837 123.754 122.820 0.161 0.000 2.555 394 A HA 0.002 4.441 4.320 0.198 0.000 0.233 394 A C -0.208 177.438 177.584 0.102 0.000 1.060 394 A CA 0.452 52.620 52.037 0.218 0.000 0.759 394 A CB 0.129 19.208 19.000 0.132 0.000 0.995 394 A HN 0.147 nan 8.150 nan 0.000 0.506 395 D N 0.569 121.037 120.400 0.113 0.000 2.304 395 D HA 0.271 5.030 4.640 0.198 0.000 0.250 395 D C 0.259 176.582 176.300 0.037 0.000 1.107 395 D CA 0.184 54.194 54.000 0.018 0.000 0.885 395 D CB 0.933 41.745 40.800 0.019 0.000 1.192 395 D HN 0.539 nan 8.370 nan 0.000 0.436 396 R N 2.661 123.166 120.500 0.008 0.000 2.265 396 R HA 0.483 4.942 4.340 0.198 0.000 0.319 396 R C -0.756 175.533 176.300 -0.019 0.000 1.006 396 R CA -0.445 55.664 56.100 0.015 0.000 0.880 396 R CB 0.470 30.781 30.300 0.018 0.000 1.077 396 R HN 0.399 nan 8.270 nan 0.000 0.454 397 I N 3.999 124.562 120.570 -0.012 0.000 2.410 397 I HA 0.218 4.507 4.170 0.198 0.000 0.286 397 I C -0.272 175.759 176.117 -0.142 0.000 1.009 397 I CA -0.689 60.547 61.300 -0.108 0.000 1.111 397 I CB 2.284 40.243 38.000 -0.068 0.000 1.262 397 I HN 0.617 nan 8.210 nan 0.000 0.443 398 T N 4.328 118.750 114.554 -0.220 0.000 2.909 398 T HA 0.418 4.887 4.350 0.198 0.000 0.289 398 T C -1.007 173.482 174.700 -0.351 0.000 1.005 398 T CA -0.152 61.866 62.100 -0.136 0.000 1.084 398 T CB 0.711 69.554 68.868 -0.041 0.000 0.975 398 T HN 0.349 nan 8.240 nan 0.000 0.509 399 W N 1.298 122.448 121.300 -0.251 0.000 3.032 399 W HA 0.591 5.370 4.660 0.198 0.000 0.335 399 W C -1.191 175.199 176.519 -0.216 0.000 1.154 399 W CA -0.889 56.263 57.345 -0.322 0.000 1.204 399 W CB 1.258 30.313 29.460 -0.675 0.000 1.416 399 W HN 0.221 nan 8.180 nan 0.000 0.521 400 L N 2.834 123.957 121.223 -0.167 0.000 2.317 400 L HA 0.484 4.943 4.340 0.198 0.000 0.281 400 L C -1.089 175.465 176.870 -0.526 0.000 1.024 400 L CA -1.090 53.465 54.840 -0.476 0.000 0.810 400 L CB 1.101 42.524 42.059 -1.059 0.000 1.240 400 L HN 0.640 nan 8.230 nan 0.000 0.427 401 Y N 3.233 123.303 120.300 -0.383 0.000 2.373 401 Y HA 0.293 4.961 4.550 0.198 0.000 0.336 401 Y C -0.597 175.187 175.900 -0.192 0.000 0.979 401 Y CA -0.898 57.050 58.100 -0.254 0.000 1.080 401 Y CB 2.012 40.420 38.460 -0.088 0.000 1.190 401 Y HN 0.540 nan 8.280 nan 0.000 0.446 402 D N 5.161 125.527 120.400 -0.056 0.000 2.329 402 D HA 0.102 4.861 4.640 0.198 0.000 0.232 402 D C 0.032 176.057 176.300 -0.459 0.000 1.088 402 D CA -0.166 53.754 54.000 -0.132 0.000 0.835 402 D CB 1.126 42.056 40.800 0.218 0.000 1.078 402 D HN 0.773 nan 8.370 nan 0.000 0.495 403 N N 2.035 120.418 118.700 -0.527 0.000 2.084 403 N HA -0.173 4.686 4.740 0.198 0.000 0.190 403 N C 1.838 177.228 175.510 -0.201 0.000 1.030 403 N CA 1.615 54.368 53.050 -0.494 0.000 0.849 403 N CB -0.559 37.732 38.487 -0.327 0.000 1.012 403 N HN 0.586 nan 8.380 nan 0.000 0.423 404 T N -0.033 114.458 114.554 -0.104 0.000 2.639 404 T HA -0.160 4.309 4.350 0.198 0.000 0.261 404 T C 2.182 176.892 174.700 0.017 0.000 1.053 404 T CA 2.448 64.531 62.100 -0.029 0.000 1.158 404 T CB -1.199 67.665 68.868 -0.007 0.000 0.863 404 T HN 0.370 nan 8.240 nan 0.000 0.413 405 T N -1.201 113.388 114.554 0.058 0.000 3.007 405 T HA 0.264 4.732 4.350 0.198 0.000 0.270 405 T C 2.101 176.885 174.700 0.141 0.000 1.107 405 T CA 1.365 63.528 62.100 0.105 0.000 1.118 405 T CB -1.183 67.778 68.868 0.155 0.000 0.889 405 T HN 1.279 nan 8.240 nan 0.000 0.506 406 G N 1.513 110.404 108.800 0.152 0.000 2.257 406 G HA2 -0.331 3.748 3.960 0.198 0.000 0.267 406 G HA3 -0.331 3.748 3.960 0.198 0.000 0.267 406 G C 0.217 175.357 174.900 0.400 0.000 0.984 406 G CA 0.642 45.902 45.100 0.267 0.000 0.626 406 G HN 0.729 nan 8.290 nan 0.000 0.540 407 K N 0.368 120.982 120.400 0.358 0.000 2.336 407 K HA 0.411 4.850 4.320 0.198 0.000 0.262 407 K C 0.377 177.278 176.600 0.500 0.000 0.992 407 K CA 0.383 56.908 56.287 0.398 0.000 0.927 407 K CB 0.492 33.249 32.500 0.427 0.000 0.956 407 K HN 0.426 nan 8.250 nan 0.000 0.495 408 Q N 1.952 122.007 119.800 0.425 0.000 2.271 408 Q HA 0.348 4.807 4.340 0.198 0.000 0.268 408 Q C -2.156 174.191 176.000 0.579 0.000 1.021 408 Q CA -0.812 55.171 55.803 0.301 0.000 0.802 408 Q CB 1.210 29.907 28.738 -0.068 0.000 1.282 408 Q HN 0.667 nan 8.270 nan 0.000 0.431 409 W N 2.883 124.452 121.300 0.448 0.000 3.097 409 W HA 0.512 5.291 4.660 0.199 0.000 0.335 409 W C -1.377 175.314 176.519 0.288 0.000 1.114 409 W CA -1.092 56.493 57.345 0.400 0.000 1.231 409 W CB 0.782 30.360 29.460 0.196 0.000 1.388 409 W HN 0.489 nan 8.180 nan 0.000 0.485 410 K N 3.330 123.731 120.400 0.003 0.000 2.447 410 K HA -0.088 4.350 4.320 0.198 0.000 0.281 410 K C 0.627 177.052 176.600 -0.292 0.000 1.031 410 K CA 0.362 56.143 56.287 -0.844 0.000 1.019 410 K CB 0.552 32.475 32.500 -0.961 0.000 0.918 410 K HN 0.765 nan 8.250 nan 0.000 0.476 411 N N 1.511 120.008 118.700 -0.337 0.000 2.508 411 N HA -0.040 4.819 4.740 0.198 0.000 0.186 411 N C -0.805 174.618 175.510 -0.145 0.000 1.034 411 N CA 0.688 53.665 53.050 -0.123 0.000 0.885 411 N CB 0.461 38.906 38.487 -0.070 0.000 1.135 411 N HN 0.652 nan 8.380 nan 0.000 0.435 412 S N -0.466 115.107 115.700 -0.212 0.000 2.552 412 S HA 0.539 5.128 4.470 0.198 0.000 0.272 412 S C -1.218 173.271 174.600 -0.184 0.000 1.150 412 S CA -0.849 57.253 58.200 -0.163 0.000 0.849 412 S CB 1.867 65.000 63.200 -0.113 0.000 1.113 412 S HN -0.124 nan 8.310 nan 0.000 0.458 413 V N 1.797 121.621 119.914 -0.150 0.000 2.604 413 V HA 0.683 4.922 4.120 0.198 0.000 0.305 413 V C -0.356 175.667 176.094 -0.119 0.000 1.043 413 V CA -0.627 61.594 62.300 -0.131 0.000 0.888 413 V CB 1.606 33.360 31.823 -0.116 0.000 0.995 413 V HN 1.024 nan 8.190 nan 0.000 0.429 414 N N 1.241 119.880 118.700 -0.102 0.000 2.397 414 N HA 0.355 5.214 4.740 0.198 0.000 0.291 414 N C -0.035 175.436 175.510 -0.065 0.000 1.065 414 N CA -0.163 52.814 53.050 -0.123 0.000 0.884 414 N CB 1.815 40.233 38.487 -0.115 0.000 1.551 414 N HN 0.679 nan 8.380 nan 0.000 0.487 415 S N 1.552 117.246 115.700 -0.010 0.000 2.664 415 S HA 0.225 4.814 4.470 0.198 0.000 0.245 415 S C 0.204 174.940 174.600 0.227 0.000 1.019 415 S CA -0.428 57.801 58.200 0.048 0.000 0.996 415 S CB -0.411 62.743 63.200 -0.076 0.000 0.878 415 S HN 0.712 nan 8.310 nan 0.000 0.493 416 H N 0.308 119.322 119.070 -0.093 0.000 3.205 416 H HA 0.085 4.760 4.556 0.198 0.000 0.252 416 H C 2.170 177.457 175.328 -0.068 0.000 1.015 416 H CA 0.581 56.580 56.048 -0.083 0.000 1.192 416 H CB 0.371 30.090 29.762 -0.072 0.000 1.474 416 H HN 0.545 nan 8.280 nan 0.000 0.484 417 T N 0.509 115.105 114.554 0.070 0.000 2.746 417 T HA -0.048 4.421 4.350 0.198 0.000 0.267 417 T C 1.047 175.774 174.700 0.045 0.000 1.039 417 T CA 0.597 62.722 62.100 0.041 0.000 1.142 417 T CB -0.354 68.533 68.868 0.032 0.000 0.866 417 T HN 0.076 nan 8.240 nan 0.000 0.444 418 I N 2.108 122.700 120.570 0.037 0.000 2.529 418 I HA 0.449 4.738 4.170 0.198 0.000 0.284 418 I C 1.153 177.275 176.117 0.009 0.000 1.082 418 I CA 0.437 61.759 61.300 0.037 0.000 1.406 418 I CB 0.545 38.563 38.000 0.030 0.000 1.405 418 I HN 0.602 nan 8.210 nan 0.000 0.548 419 G N 5.551 114.365 108.800 0.023 0.000 2.689 419 G HA2 -0.204 3.875 3.960 0.198 0.000 0.273 419 G HA3 -0.204 3.875 3.960 0.198 0.000 0.273 419 G C -0.401 174.479 174.900 -0.033 0.000 1.062 419 G CA -0.648 44.446 45.100 -0.010 0.000 1.279 419 G HN 0.671 nan 8.290 nan 0.000 0.547 420 R N -0.095 120.414 120.500 0.014 0.000 2.744 420 R HA 0.527 4.986 4.340 0.198 0.000 0.279 420 R C 0.169 176.491 176.300 0.038 0.000 0.977 420 R CA -1.254 54.779 56.100 -0.113 0.000 0.906 420 R CB 1.372 31.563 30.300 -0.181 0.000 1.197 420 R HN 0.552 nan 8.270 nan 0.000 0.463 421 Y N 0.736 121.053 120.300 0.028 0.000 3.037 421 Y HA -0.245 4.424 4.550 0.198 0.000 0.204 421 Y C 0.145 176.089 175.900 0.073 0.000 1.275 421 Y CA -0.181 57.912 58.100 -0.011 0.000 1.066 421 Y CB -1.668 36.703 38.460 -0.149 0.000 1.305 421 Y HN 0.490 nan 8.280 nan 0.000 0.499 422 I N 1.079 121.705 120.570 0.093 0.000 2.581 422 I HA 0.031 4.320 4.170 0.198 0.000 0.285 422 I C 0.618 176.710 176.117 -0.041 0.000 1.129 422 I CA 0.624 61.909 61.300 -0.024 0.000 1.397 422 I CB 0.380 38.297 38.000 -0.138 0.000 1.399 422 I HN 0.226 nan 8.210 nan 0.000 0.537 423 S N 4.086 119.744 115.700 -0.071 0.000 2.648 423 S HA 0.733 5.322 4.470 0.198 0.000 0.305 423 S C -0.182 174.374 174.600 -0.072 0.000 1.094 423 S CA -0.684 57.412 58.200 -0.173 0.000 0.983 423 S CB 2.395 65.323 63.200 -0.453 0.000 1.101 423 S HN 0.702 nan 8.310 nan 0.000 0.514 424 T N 0.753 115.292 114.554 -0.025 0.000 2.942 424 T HA 0.346 4.815 4.350 0.198 0.000 0.327 424 T C -1.349 173.558 174.700 0.345 0.000 1.360 424 T CA -0.759 61.440 62.100 0.164 0.000 1.055 424 T CB 1.147 70.013 68.868 -0.003 0.000 1.261 424 T HN 0.629 nan 8.240 nan 0.000 0.485 425 K N 2.215 122.861 120.400 0.411 0.000 2.414 425 K HA 0.571 5.010 4.320 0.198 0.000 0.272 425 K C 0.164 176.884 176.600 0.201 0.000 0.993 425 K CA -0.210 56.278 56.287 0.335 0.000 0.964 425 K CB 0.425 33.028 32.500 0.172 0.000 0.925 425 K HN 0.671 nan 8.250 nan 0.000 0.487 426 A N 2.950 125.859 122.820 0.149 0.000 2.302 426 A HA 0.264 4.703 4.320 0.198 0.000 0.285 426 A C -0.493 177.097 177.584 0.009 0.000 1.105 426 A CA -0.730 51.350 52.037 0.073 0.000 0.816 426 A CB 0.866 19.898 19.000 0.053 0.000 1.067 426 A HN 0.544 nan 8.150 nan 0.000 0.489 427 V N 2.035 121.921 119.914 -0.046 0.000 2.400 427 V HA 0.409 4.648 4.120 0.198 0.000 0.263 427 V C 1.478 177.521 176.094 -0.085 0.000 1.026 427 V CA 1.663 63.880 62.300 -0.139 0.000 1.077 427 V CB -0.589 31.128 31.823 -0.176 0.000 1.054 427 V HN 1.831 nan 8.190 nan 0.000 0.477 428 G N 3.871 112.626 108.800 -0.075 0.000 2.176 428 G HA2 -0.180 3.899 3.960 0.198 0.000 0.232 428 G HA3 -0.180 3.899 3.960 0.198 0.000 0.232 428 G C 0.160 175.050 174.900 -0.018 0.000 0.986 428 G CA 0.383 45.457 45.100 -0.044 0.000 0.643 428 G HN 1.438 nan 8.290 nan 0.000 0.522 429 S N -1.614 114.083 115.700 -0.006 0.000 2.643 429 S HA 0.624 5.213 4.470 0.198 0.000 0.270 429 S C -0.077 174.538 174.600 0.026 0.000 1.166 429 S CA -0.191 58.014 58.200 0.008 0.000 0.815 429 S CB 1.156 64.362 63.200 0.010 0.000 1.139 429 S HN 0.036 nan 8.310 nan 0.000 0.472 430 N N 0.849 119.565 118.700 0.026 0.000 2.322 430 N HA 0.394 5.253 4.740 0.198 0.000 0.216 430 N C 0.435 176.009 175.510 0.107 0.000 1.144 430 N CA 0.311 53.382 53.050 0.035 0.000 0.830 430 N CB 0.094 38.578 38.487 -0.006 0.000 1.034 430 N HN 0.802 nan 8.380 nan 0.000 0.484 431 A N 0.608 123.491 122.820 0.104 0.000 2.346 431 A HA 0.278 4.717 4.320 0.198 0.000 0.252 431 A C 0.593 178.301 177.584 0.205 0.000 1.089 431 A CA -0.349 51.756 52.037 0.113 0.000 0.797 431 A CB 0.541 19.570 19.000 0.049 0.000 1.047 431 A HN 0.268 nan 8.150 nan 0.000 0.494 432 R N 1.408 121.949 120.500 0.069 0.000 2.215 432 R HA 0.421 4.880 4.340 0.198 0.000 0.336 432 R C -0.684 175.510 176.300 -0.176 0.000 0.996 432 R CA -0.182 55.800 56.100 -0.197 0.000 0.847 432 R CB 0.448 30.407 30.300 -0.568 0.000 1.127 432 R HN 0.833 nan 8.270 nan 0.000 0.465 433 M N 4.376 123.907 119.600 -0.115 0.000 2.108 433 M HA 0.117 4.716 4.480 0.198 0.000 0.354 433 M C -0.790 175.442 176.300 -0.113 0.000 1.229 433 M CA -0.208 55.051 55.300 -0.069 0.000 1.081 433 M CB 0.924 33.523 32.600 -0.002 0.000 1.606 433 M HN 0.534 nan 8.290 nan 0.000 0.467 434 D N 4.901 125.249 120.400 -0.087 0.000 2.280 434 D HA 0.223 4.982 4.640 0.198 0.000 0.243 434 D C -0.016 176.273 176.300 -0.019 0.000 1.129 434 D CA -0.164 53.800 54.000 -0.061 0.000 0.848 434 D CB 1.271 42.056 40.800 -0.026 0.000 1.107 434 D HN 0.547 nan 8.370 nan 0.000 0.471 435 V N 1.819 121.732 119.914 -0.002 0.000 2.887 435 V HA 0.193 4.432 4.120 0.198 0.000 0.370 435 V C 1.222 177.382 176.094 0.111 0.000 1.322 435 V CA -0.337 61.988 62.300 0.043 0.000 1.267 435 V CB -0.011 31.834 31.823 0.036 0.000 1.344 435 V HN 0.423 nan 8.190 nan 0.000 0.573 436 T N 1.632 116.223 114.554 0.061 0.000 2.746 436 T HA -0.178 4.291 4.350 0.198 0.000 0.267 436 T C 1.567 176.306 174.700 0.066 0.000 1.039 436 T CA 2.181 64.318 62.100 0.061 0.000 1.142 436 T CB -0.403 68.459 68.868 -0.010 0.000 0.866 436 T HN 0.881 nan 8.240 nan 0.000 0.444 437 D N 1.159 121.572 120.400 0.021 0.000 2.411 437 D HA -0.133 4.626 4.640 0.198 0.000 0.226 437 D C 1.602 177.873 176.300 -0.049 0.000 0.988 437 D CA 0.706 54.693 54.000 -0.021 0.000 0.938 437 D CB -0.042 40.747 40.800 -0.019 0.000 0.883 437 D HN 0.228 nan 8.370 nan 0.000 0.525 438 K N -0.356 120.049 120.400 0.007 0.000 2.276 438 K HA 0.014 4.453 4.320 0.198 0.000 0.198 438 K C 1.661 178.182 176.600 -0.132 0.000 1.052 438 K CA 0.327 56.577 56.287 -0.061 0.000 0.984 438 K CB -0.268 32.201 32.500 -0.051 0.000 0.836 438 K HN 0.284 nan 8.250 nan 0.000 0.490 439 Y N 1.590 121.869 120.300 -0.035 0.000 2.397 439 Y HA 0.012 4.680 4.550 0.197 0.000 0.292 439 Y C 0.701 176.563 175.900 -0.063 0.000 1.115 439 Y CA 0.419 58.507 58.100 -0.020 0.000 1.208 439 Y CB 0.466 38.934 38.460 0.014 0.000 1.046 439 Y HN -0.057 nan 8.280 nan 0.000 0.552 440 K N -1.964 118.464 120.400 0.046 0.000 2.556 440 K HA 0.303 4.742 4.320 0.198 0.000 0.274 440 K C -1.715 174.852 176.600 -0.056 0.000 0.966 440 K CA -0.949 55.339 56.287 0.002 0.000 0.865 440 K CB 0.850 33.360 32.500 0.017 0.000 1.444 440 K HN -0.183 nan 8.250 nan 0.000 0.433 441 Y N 0.975 121.302 120.300 0.045 0.000 2.379 441 Y HA 0.158 4.828 4.550 0.199 0.000 0.337 441 Y C -1.888 174.008 175.900 -0.007 0.000 1.238 441 Y CA -1.323 56.793 58.100 0.026 0.000 1.405 441 Y CB 0.189 38.670 38.460 0.035 0.000 1.310 441 Y HN 0.440 nan 8.280 nan 0.000 0.569 442 P HA -0.096 nan 4.420 nan 0.000 0.259 442 P C -0.710 176.588 177.300 -0.003 0.000 1.163 442 P CA 0.226 63.349 63.100 0.039 0.000 0.760 442 P CB 0.152 31.876 31.700 0.040 0.000 0.762 443 E N 2.571 122.723 120.200 -0.080 0.000 2.436 443 E HA 0.228 4.697 4.350 0.198 0.000 0.262 443 E C 0.636 177.113 176.600 -0.206 0.000 1.063 443 E CA -0.307 55.975 56.400 -0.197 0.000 0.944 443 E CB -0.243 29.274 29.700 -0.306 0.000 0.950 443 E HN 0.659 nan 8.360 nan 0.000 0.444 444 G N 1.482 110.120 108.800 -0.270 0.000 2.351 444 G HA2 -0.175 3.904 3.960 0.198 0.000 0.297 444 G HA3 -0.175 3.904 3.960 0.198 0.000 0.297 444 G C -0.188 174.667 174.900 -0.075 0.000 1.054 444 G CA 0.395 45.396 45.100 -0.166 0.000 1.123 444 G HN 1.196 nan 8.290 nan 0.000 0.512 445 S N -1.843 113.823 115.700 -0.057 0.000 2.588 445 S HA 0.636 5.225 4.470 0.198 0.000 0.269 445 S C 0.381 174.959 174.600 -0.035 0.000 1.157 445 S CA 0.090 58.272 58.200 -0.029 0.000 0.824 445 S CB 1.608 64.806 63.200 -0.002 0.000 1.126 445 S HN -0.071 nan 8.310 nan 0.000 0.464 446 D N 1.023 121.396 120.400 -0.044 0.000 2.104 446 D HA -0.081 4.678 4.640 0.198 0.000 0.194 446 D C 1.791 178.035 176.300 -0.093 0.000 0.994 446 D CA 1.880 55.847 54.000 -0.056 0.000 0.830 446 D CB -0.360 40.405 40.800 -0.058 0.000 0.959 446 D HN 0.609 nan 8.370 nan 0.000 0.452 447 Q N 0.290 119.979 119.800 -0.185 0.000 2.135 447 Q HA -0.169 4.290 4.340 0.198 0.000 0.204 447 Q C 1.895 177.800 176.000 -0.158 0.000 0.981 447 Q CA 1.470 57.039 55.803 -0.389 0.000 0.856 447 Q CB -0.238 27.872 28.738 -1.047 0.000 0.902 447 Q HN 0.316 nan 8.270 nan 0.000 0.425 448 E N 1.357 121.554 120.200 -0.006 0.000 2.005 448 E HA -0.262 4.207 4.350 0.198 0.000 0.198 448 E C 1.801 178.481 176.600 0.134 0.000 1.010 448 E CA 2.157 58.617 56.400 0.100 0.000 0.825 448 E CB -0.315 29.400 29.700 0.025 0.000 0.769 448 E HN 0.440 nan 8.360 nan 0.000 0.456 449 R N 0.222 120.765 120.500 0.071 0.000 2.152 449 R HA -0.103 4.356 4.340 0.198 0.000 0.232 449 R C 2.471 178.862 176.300 0.152 0.000 1.117 449 R CA 1.503 57.675 56.100 0.121 0.000 0.981 449 R CB -0.471 29.860 30.300 0.051 0.000 0.870 449 R HN 0.302 nan 8.270 nan 0.000 0.451 450 Q N 0.944 120.787 119.800 0.073 0.000 1.990 450 Q HA -0.088 4.371 4.340 0.198 0.000 0.200 450 Q C 2.343 178.389 176.000 0.077 0.000 0.980 450 Q CA 1.922 57.749 55.803 0.041 0.000 0.832 450 Q CB -0.047 28.670 28.738 -0.036 0.000 0.897 450 Q HN 0.244 nan 8.270 nan 0.000 0.427 451 V N 0.663 120.643 119.914 0.110 0.000 2.332 451 V HA -0.257 3.982 4.120 0.198 0.000 0.248 451 V C 1.972 178.197 176.094 0.218 0.000 1.055 451 V CA 1.798 64.204 62.300 0.177 0.000 1.038 451 V CB -0.625 31.397 31.823 0.332 0.000 0.651 451 V HN 0.311 nan 8.190 nan 0.000 0.450 452 F N 0.370 120.439 119.950 0.197 0.000 2.186 452 F HA -0.157 4.489 4.527 0.198 0.000 0.299 452 F C 2.543 178.393 175.800 0.085 0.000 1.090 452 F CA 1.579 59.714 58.000 0.224 0.000 1.307 452 F CB -0.090 39.029 39.000 0.198 0.000 1.019 452 F HN 0.092 nan 8.300 nan 0.000 0.489 453 Q N 0.637 120.524 119.800 0.145 0.000 2.049 453 Q HA -0.201 4.258 4.340 0.198 0.000 0.198 453 Q C 2.322 178.274 176.000 -0.079 0.000 0.971 453 Q CA 1.554 57.379 55.803 0.036 0.000 0.833 453 Q CB -0.637 28.146 28.738 0.075 0.000 0.896 453 Q HN 0.470 nan 8.270 nan 0.000 0.434 454 K N 0.434 120.795 120.400 -0.064 0.000 2.044 454 K HA -0.168 4.271 4.320 0.198 0.000 0.210 454 K C 1.962 178.443 176.600 -0.200 0.000 1.049 454 K CA 1.452 57.679 56.287 -0.100 0.000 0.927 454 K CB -0.084 32.378 32.500 -0.064 0.000 0.713 454 K HN 0.109 nan 8.250 nan 0.000 0.443 455 A N 1.452 124.079 122.820 -0.323 0.000 1.845 455 A HA -0.160 4.279 4.320 0.198 0.000 0.215 455 A C 2.095 179.418 177.584 -0.435 0.000 1.195 455 A CA 1.489 53.203 52.037 -0.538 0.000 0.616 455 A CB -0.823 17.542 19.000 -1.058 0.000 0.832 455 A HN 0.402 nan 8.150 nan 0.000 0.443 456 L N 0.255 121.201 121.223 -0.461 0.000 2.127 456 L HA -0.068 4.391 4.340 0.198 0.000 0.211 456 L C 2.290 179.044 176.870 -0.192 0.000 1.089 456 L CA 2.186 56.825 54.840 -0.335 0.000 0.757 456 L CB -0.917 40.942 42.059 -0.333 0.000 0.899 456 L HN 0.330 nan 8.230 nan 0.000 0.434 457 G N -1.392 107.310 108.800 -0.164 0.000 2.430 457 G HA2 -0.241 3.837 3.960 0.198 0.000 0.216 457 G HA3 -0.241 3.837 3.960 0.198 0.000 0.216 457 G C 1.728 176.563 174.900 -0.108 0.000 1.146 457 G CA 0.598 45.634 45.100 -0.107 0.000 0.793 457 G HN 0.406 nan 8.290 nan 0.000 0.537 458 K N -0.664 119.651 120.400 -0.142 0.000 2.167 458 K HA 0.149 4.588 4.320 0.198 0.000 0.203 458 K C 2.184 178.708 176.600 -0.127 0.000 1.052 458 K CA 0.374 56.582 56.287 -0.131 0.000 0.956 458 K CB -0.090 32.315 32.500 -0.159 0.000 0.735 458 K HN 0.237 nan 8.250 nan 0.000 0.451 459 L N 0.825 121.958 121.223 -0.150 0.000 2.084 459 L HA 0.105 4.564 4.340 0.198 0.000 0.202 459 L C 0.144 176.961 176.870 -0.088 0.000 1.074 459 L CA 1.625 56.391 54.840 -0.124 0.000 0.757 459 L CB 0.030 41.999 42.059 -0.150 0.000 0.918 459 L HN -0.185 nan 8.230 nan 0.000 0.444 460 K N 0.643 120.991 120.400 -0.087 0.000 2.360 460 K HA 0.340 4.779 4.320 0.198 0.000 0.235 460 K C -2.221 174.348 176.600 -0.052 0.000 1.077 460 K CA -2.292 53.960 56.287 -0.058 0.000 1.035 460 K CB 0.228 32.699 32.500 -0.047 0.000 1.623 460 K HN 0.068 nan 8.250 nan 0.000 0.462 480 P HA 0.137 nan 4.420 nan 0.000 0.211 480 P C 0.785 178.080 177.300 -0.008 0.000 1.158 480 P CA 0.691 63.784 63.100 -0.012 0.000 0.704 480 P CB 0.160 31.852 31.700 -0.014 0.000 0.618 481 S N -3.985 111.711 115.700 -0.007 0.000 3.498 481 S HA 0.016 4.605 4.470 0.198 0.000 0.092 481 S C -0.755 173.845 174.600 -0.001 0.000 0.723 481 S CA -0.232 57.966 58.200 -0.004 0.000 1.369 481 S CB -1.064 62.134 63.200 -0.003 0.000 0.733 481 S HN 0.087 nan 8.310 nan 0.000 0.643 482 I N 3.566 124.135 120.570 -0.002 0.000 2.689 482 I HA 0.619 4.908 4.170 0.198 0.000 0.299 482 I C -0.351 175.765 176.117 -0.003 0.000 1.059 482 I CA -0.917 60.383 61.300 0.000 0.000 1.055 482 I CB 1.896 39.898 38.000 0.003 0.000 1.243 482 I HN 0.384 nan 8.210 nan 0.000 0.425 483 I N 1.124 121.694 120.570 -0.001 0.000 2.406 483 I HA 0.914 5.203 4.170 0.198 0.000 0.290 483 I C 0.085 176.202 176.117 0.001 0.000 0.999 483 I CA -0.492 60.806 61.300 -0.003 0.000 1.124 483 I CB 1.639 39.638 38.000 -0.002 0.000 1.289 483 I HN 0.600 nan 8.210 nan 0.000 0.441 484 G N 4.795 113.593 108.800 -0.004 0.000 2.420 484 G HA2 0.710 4.789 3.960 0.198 0.000 0.331 484 G HA3 0.710 4.789 3.960 0.198 0.000 0.331 484 G C -1.011 173.891 174.900 0.003 0.000 1.168 484 G CA -0.794 44.306 45.100 0.001 0.000 0.936 484 G HN 0.687 nan 8.290 nan 0.000 0.479 485 K N 1.621 122.028 120.400 0.012 0.000 2.606 485 K HA 0.190 4.629 4.320 0.198 0.000 0.259 485 K C -1.108 175.506 176.600 0.023 0.000 1.001 485 K CA -0.549 55.746 56.287 0.015 0.000 0.881 485 K CB 2.035 34.542 32.500 0.013 0.000 1.288 485 K HN 0.336 nan 8.250 nan 0.000 0.452 486 L N 3.162 124.400 121.223 0.025 0.000 2.350 486 L HA 0.468 4.927 4.340 0.198 0.000 0.275 486 L C -0.159 176.724 176.870 0.022 0.000 1.099 486 L CA -0.264 54.594 54.840 0.030 0.000 0.808 486 L CB 0.767 42.847 42.059 0.036 0.000 1.149 486 L HN 0.372 nan 8.230 nan 0.000 0.442 487 K N 2.022 122.433 120.400 0.018 0.000 2.501 487 K HA 0.463 4.902 4.320 0.198 0.000 0.252 487 K C -1.277 175.324 176.600 0.002 0.000 0.934 487 K CA -0.894 55.399 56.287 0.010 0.000 0.797 487 K CB 2.734 35.240 32.500 0.010 0.000 1.270 487 K HN 0.166 nan 8.250 nan 0.000 0.431 488 V N 1.409 121.323 119.914 -0.001 0.000 2.843 488 V HA 0.282 4.521 4.120 0.198 0.000 0.305 488 V C 0.265 176.354 176.094 -0.008 0.000 1.065 488 V CA 0.083 62.379 62.300 -0.008 0.000 1.116 488 V CB 1.131 32.950 31.823 -0.007 0.000 0.968 488 V HN 0.947 nan 8.190 nan 0.000 0.487 489 A N 3.243 126.056 122.820 -0.012 0.000 3.300 489 A HA 0.767 5.206 4.320 0.198 0.000 0.300 489 A C 0.055 177.633 177.584 -0.009 0.000 1.099 489 A CA 0.242 52.273 52.037 -0.010 0.000 0.846 489 A CB 0.441 19.434 19.000 -0.011 0.000 1.255 489 A HN 1.809 nan 8.150 nan 0.000 0.519 490 G N 0.479 109.274 108.800 -0.008 0.000 2.345 490 G HA2 0.387 4.466 3.960 0.198 0.000 0.310 490 G HA3 0.387 4.466 3.960 0.198 0.000 0.310 490 G C -0.656 174.243 174.900 -0.003 0.000 1.476 490 G CA -0.793 44.305 45.100 -0.004 0.000 0.978 490 G HN 0.627 nan 8.290 nan 0.000 0.656 491 M N 1.874 121.473 119.600 -0.001 0.000 2.429 491 M HA 0.274 4.873 4.480 0.198 0.000 0.334 491 M C 0.275 176.580 176.300 0.008 0.000 1.560 491 M CA -0.184 55.115 55.300 -0.002 0.000 1.291 491 M CB -0.736 31.860 32.600 -0.006 0.000 1.754 491 M HN 0.424 nan 8.290 nan 0.000 0.456 492 L N 4.872 126.099 121.223 0.006 0.000 2.462 492 L HA 0.306 4.765 4.340 0.198 0.000 0.272 492 L C 0.169 177.055 176.870 0.026 0.000 1.166 492 L CA -0.214 54.633 54.840 0.012 0.000 0.880 492 L CB 0.267 42.325 42.059 -0.002 0.000 1.142 492 L HN 0.828 nan 8.230 nan 0.000 0.473 493 A N 3.144 125.998 122.820 0.057 0.000 2.594 493 A HA 0.502 4.941 4.320 0.198 0.000 0.296 493 A C -0.918 176.771 177.584 0.174 0.000 1.061 493 A CA -0.616 51.470 52.037 0.081 0.000 0.689 493 A CB 1.129 20.157 19.000 0.046 0.000 1.280 493 A HN 0.238 nan 8.150 nan 0.000 0.406 494 V N 2.144 122.195 119.914 0.228 0.000 2.458 494 V HA 0.432 4.671 4.120 0.198 0.000 0.287 494 V C 1.527 177.830 176.094 0.347 0.000 1.009 494 V CA 2.162 64.719 62.300 0.429 0.000 1.091 494 V CB 0.056 32.204 31.823 0.542 0.000 0.960 494 V HN 2.350 nan 8.190 nan 0.000 0.476 495 G N 4.623 113.556 108.800 0.221 0.000 2.352 495 G HA2 -0.163 3.916 3.960 0.198 0.000 0.204 495 G HA3 -0.163 3.916 3.960 0.198 0.000 0.204 495 G C 0.228 175.002 174.900 -0.211 0.000 1.004 495 G CA -0.242 44.617 45.100 -0.401 0.000 0.648 495 G HN 0.564 nan 8.290 nan 0.000 0.491 496 K N 1.444 121.894 120.400 0.083 0.000 2.095 496 K HA 0.504 4.943 4.320 0.198 0.000 0.252 496 K C 0.409 177.156 176.600 0.245 0.000 0.977 496 K CA -0.394 55.957 56.287 0.105 0.000 0.900 496 K CB 1.501 34.050 32.500 0.081 0.000 1.060 496 K HN 0.535 nan 8.250 nan 0.000 0.449 497 E N 0.741 121.048 120.200 0.177 0.000 2.383 497 E HA 0.076 4.545 4.350 0.198 0.000 0.264 497 E C -0.869 175.842 176.600 0.185 0.000 1.050 497 E CA -0.603 55.928 56.400 0.218 0.000 0.896 497 E CB 0.856 30.627 29.700 0.118 0.000 0.982 497 E HN 0.070 nan 8.360 nan 0.000 0.424 498 V N 4.305 124.338 119.914 0.197 0.000 2.339 498 V HA 0.112 4.351 4.120 0.198 0.000 0.261 498 V C -0.261 175.820 176.094 -0.021 0.000 1.058 498 V CA -0.618 61.715 62.300 0.056 0.000 0.897 498 V CB 0.114 31.930 31.823 -0.012 0.000 1.052 498 V HN 0.624 nan 8.190 nan 0.000 0.480 499 N N 6.194 124.881 118.700 -0.021 0.000 2.425 499 N HA 0.644 5.503 4.740 0.198 0.000 0.268 499 N C -0.772 174.705 175.510 -0.055 0.000 0.991 499 N CA -0.249 52.774 53.050 -0.045 0.000 0.931 499 N CB 2.328 40.803 38.487 -0.021 0.000 1.130 499 N HN 0.483 nan 8.380 nan 0.000 0.493 500 L N 0.923 122.097 121.223 -0.081 0.000 2.303 500 L HA 0.691 5.150 4.340 0.198 0.000 0.256 500 L C -0.632 176.219 176.870 -0.031 0.000 1.034 500 L CA -1.131 53.674 54.840 -0.058 0.000 0.832 500 L CB 2.241 44.250 42.059 -0.082 0.000 1.403 500 L HN 0.025 nan 8.230 nan 0.000 0.419 501 V N 1.916 121.831 119.914 0.002 0.000 2.668 501 V HA 0.338 4.577 4.120 0.198 0.000 0.304 501 V C -0.886 175.244 176.094 0.060 0.000 1.071 501 V CA -0.473 61.848 62.300 0.035 0.000 0.894 501 V CB 2.314 34.149 31.823 0.020 0.000 1.008 501 V HN 0.451 nan 8.190 nan 0.000 0.425 502 L N 6.058 127.349 121.223 0.113 0.000 2.276 502 L HA 0.660 5.119 4.340 0.198 0.000 0.286 502 L C -0.929 175.992 176.870 0.086 0.000 1.061 502 L CA 0.124 55.023 54.840 0.099 0.000 0.807 502 L CB 0.993 43.122 42.059 0.116 0.000 1.177 502 L HN 0.511 nan 8.230 nan 0.000 0.429 503 L N 6.503 127.759 121.223 0.054 0.000 2.307 503 L HA 0.628 5.087 4.340 0.198 0.000 0.284 503 L C -0.558 176.334 176.870 0.036 0.000 1.023 503 L CA 0.089 54.955 54.840 0.044 0.000 0.810 503 L CB 1.530 43.607 42.059 0.030 0.000 1.231 503 L HN 0.588 nan 8.230 nan 0.000 0.423 504 L N 3.405 124.650 121.223 0.036 0.000 2.393 504 L HA 0.711 5.169 4.340 0.198 0.000 0.260 504 L C -0.578 176.306 176.870 0.023 0.000 1.002 504 L CA -0.844 54.013 54.840 0.027 0.000 0.818 504 L CB 2.389 44.467 42.059 0.031 0.000 1.369 504 L HN 0.452 nan 8.230 nan 0.000 0.412 505 K N 1.634 122.044 120.400 0.016 0.000 2.575 505 K HA 0.221 4.660 4.320 0.198 0.000 0.255 505 K C -1.680 174.925 176.600 0.009 0.000 0.953 505 K CA -0.517 55.778 56.287 0.013 0.000 0.840 505 K CB 2.074 34.581 32.500 0.011 0.000 1.303 505 K HN 0.763 nan 8.250 nan 0.000 0.438 506 N N 3.831 122.536 118.700 0.010 0.000 2.518 506 N HA 0.133 4.992 4.740 0.198 0.000 0.266 506 N C 0.566 176.079 175.510 0.004 0.000 1.196 506 N CA -0.111 52.943 53.050 0.007 0.000 0.947 506 N CB 0.668 39.160 38.487 0.007 0.000 1.098 506 N HN 0.493 nan 8.380 nan 0.000 0.450 507 L N 1.398 122.622 121.223 0.002 0.000 2.537 507 L HA 0.108 4.567 4.340 0.198 0.000 0.224 507 L C 1.024 177.894 176.870 -0.000 0.000 1.065 507 L CA -0.148 54.693 54.840 0.000 0.000 0.860 507 L CB -0.032 42.026 42.059 -0.002 0.000 1.086 507 L HN 0.552 nan 8.230 nan 0.000 0.482 508 S N 0.464 116.164 115.700 -0.000 0.000 2.624 508 S HA 0.251 4.840 4.470 0.198 0.000 0.263 508 S C 0.321 174.922 174.600 0.001 0.000 1.287 508 S CA -0.583 57.616 58.200 -0.001 0.000 0.990 508 S CB 0.636 63.835 63.200 -0.001 0.000 0.950 508 S HN 0.167 nan 8.310 nan 0.000 0.561 509 R N 1.845 122.345 120.500 0.000 0.000 2.408 509 R HA 0.502 4.961 4.340 0.198 0.000 0.308 509 R C -0.581 175.720 176.300 0.001 0.000 1.210 509 R CA -0.159 55.942 56.100 0.001 0.000 1.115 509 R CB -0.290 30.010 30.300 0.000 0.000 1.127 509 R HN 0.674 nan 8.270 nan 0.000 0.523 510 D N 0.083 120.485 120.400 0.002 0.000 2.940 510 D HA 0.033 4.792 4.640 0.198 0.000 0.304 510 D C -1.266 175.037 176.300 0.004 0.000 1.255 510 D CA -0.384 53.618 54.000 0.003 0.000 0.734 510 D CB 1.861 42.662 40.800 0.002 0.000 1.261 510 D HN 0.129 nan 8.370 nan 0.000 0.436 511 T N 2.007 116.564 114.554 0.005 0.000 2.842 511 T HA 0.381 4.850 4.350 0.198 0.000 0.308 511 T C -0.148 174.556 174.700 0.007 0.000 1.041 511 T CA -0.659 61.445 62.100 0.007 0.000 0.964 511 T CB 0.881 69.754 68.868 0.008 0.000 0.972 511 T HN 0.042 nan 8.240 nan 0.000 0.460 512 K N 2.378 122.783 120.400 0.008 0.000 2.098 512 K HA 0.531 4.970 4.320 0.198 0.000 0.258 512 K C 0.067 176.674 176.600 0.011 0.000 0.973 512 K CA -0.632 55.660 56.287 0.008 0.000 0.898 512 K CB 1.455 33.959 32.500 0.007 0.000 1.057 512 K HN 0.425 nan 8.250 nan 0.000 0.447 513 T N 0.939 115.499 114.554 0.010 0.000 2.743 513 T HA 0.357 4.826 4.350 0.198 0.000 0.292 513 T C -0.116 174.592 174.700 0.013 0.000 0.972 513 T CA -0.694 61.414 62.100 0.013 0.000 0.967 513 T CB 0.752 69.627 68.868 0.011 0.000 0.926 513 T HN 0.121 nan 8.240 nan 0.000 0.459 514 V N 4.021 123.945 119.914 0.016 0.000 2.378 514 V HA 0.371 4.610 4.120 0.198 0.000 0.288 514 V C 0.350 176.453 176.094 0.015 0.000 1.016 514 V CA -0.858 61.452 62.300 0.015 0.000 0.840 514 V CB 1.461 33.294 31.823 0.016 0.000 0.994 514 V HN 0.947 nan 8.190 nan 0.000 0.431 515 T N 4.663 119.225 114.554 0.013 0.000 2.806 515 T HA 0.561 5.030 4.350 0.198 0.000 0.290 515 T C -0.169 174.532 174.700 0.002 0.000 0.966 515 T CA -0.318 61.788 62.100 0.010 0.000 1.060 515 T CB 1.428 70.304 68.868 0.014 0.000 0.927 515 T HN 0.386 nan 8.240 nan 0.000 0.485 516 V N 4.453 124.358 119.914 -0.015 0.000 2.407 516 V HA 0.371 4.609 4.120 0.198 0.000 0.291 516 V C -0.084 175.985 176.094 -0.040 0.000 1.018 516 V CA -1.011 61.269 62.300 -0.033 0.000 0.842 516 V CB 1.331 33.111 31.823 -0.073 0.000 0.996 516 V HN 0.854 nan 8.190 nan 0.000 0.426 517 N N 5.673 124.362 118.700 -0.018 0.000 2.437 517 N HA 0.706 5.565 4.740 0.198 0.000 0.259 517 N C -0.882 174.626 175.510 -0.003 0.000 0.983 517 N CA -0.492 52.548 53.050 -0.018 0.000 0.937 517 N CB 1.380 39.871 38.487 0.007 0.000 1.122 517 N HN 0.568 nan 8.380 nan 0.000 0.499 518 M N 1.083 120.666 119.600 -0.028 0.000 2.535 518 M HA 0.454 5.053 4.480 0.198 0.000 0.314 518 M C -0.227 176.072 176.300 -0.002 0.000 1.153 518 M CA -0.767 54.569 55.300 0.059 0.000 0.924 518 M CB 2.307 35.025 32.600 0.197 0.000 1.710 518 M HN 0.430 nan 8.290 nan 0.000 0.451 519 T N -0.836 113.851 114.554 0.221 0.000 2.864 519 T HA 0.925 5.394 4.350 0.198 0.000 0.299 519 T C -1.452 173.576 174.700 0.547 0.000 1.166 519 T CA -0.916 61.351 62.100 0.277 0.000 1.007 519 T CB 2.115 71.204 68.868 0.369 0.000 1.219 519 T HN 0.885 nan 8.240 nan 0.000 0.506 520 A N 1.029 124.183 122.820 0.556 0.000 2.375 520 A HA 0.698 5.137 4.320 0.198 0.000 0.295 520 A C -1.852 175.964 177.584 0.386 0.000 1.066 520 A CA -0.903 51.445 52.037 0.519 0.000 0.722 520 A CB 0.730 20.053 19.000 0.539 0.000 1.206 520 A HN 0.726 nan 8.150 nan 0.000 0.435 521 W N 1.036 122.445 121.300 0.181 0.000 2.844 521 W HA 0.598 5.377 4.660 0.198 0.000 0.340 521 W C 0.429 177.032 176.519 0.140 0.000 1.093 521 W CA -0.154 57.277 57.345 0.143 0.000 1.212 521 W CB 2.031 31.551 29.460 0.101 0.000 1.422 521 W HN 0.753 nan 8.180 nan 0.000 0.515 522 T N 1.235 116.014 114.554 0.376 0.000 2.889 522 T HA 0.765 5.234 4.350 0.198 0.000 0.291 522 T C -0.217 174.663 174.700 0.301 0.000 0.995 522 T CA -0.458 61.817 62.100 0.292 0.000 1.092 522 T CB 0.858 69.892 68.868 0.277 0.000 0.954 522 T HN 0.450 nan 8.240 nan 0.000 0.506 523 I N -1.149 119.561 120.570 0.233 0.000 3.354 523 I HA 0.685 4.974 4.170 0.198 0.000 0.316 523 I C -1.312 174.910 176.117 0.176 0.000 1.182 523 I CA -1.829 59.583 61.300 0.186 0.000 0.942 523 I CB 1.743 39.828 38.000 0.141 0.000 1.299 523 I HN 0.374 nan 8.210 nan 0.000 0.473 524 I N 1.674 122.320 120.570 0.126 0.000 2.676 524 I HA 0.181 4.470 4.170 0.198 0.000 0.309 524 I C 0.903 177.072 176.117 0.086 0.000 0.990 524 I CA -0.442 60.954 61.300 0.160 0.000 1.168 524 I CB 1.383 39.455 38.000 0.120 0.000 1.343 524 I HN 0.939 nan 8.210 nan 0.000 0.482 525 Y N 3.610 123.961 120.300 0.085 0.000 2.298 525 Y HA -0.280 4.390 4.550 0.199 0.000 0.287 525 Y C 1.667 177.480 175.900 -0.145 0.000 1.164 525 Y CA 1.869 59.983 58.100 0.024 0.000 1.229 525 Y CB -0.929 37.536 38.460 0.009 0.000 0.977 525 Y HN 0.734 nan 8.280 nan 0.000 0.538 526 N N -0.443 117.555 118.700 -1.170 0.000 2.457 526 N HA 0.140 4.999 4.740 0.198 0.000 0.180 526 N C 1.573 176.692 175.510 -0.651 0.000 1.050 526 N CA 0.685 52.889 53.050 -1.411 0.000 0.906 526 N CB 0.061 37.069 38.487 -2.464 0.000 0.968 526 N HN 0.537 nan 8.380 nan 0.000 0.445 527 G N -0.731 107.860 108.800 -0.348 0.000 2.260 527 G HA2 -0.220 3.859 3.960 0.198 0.000 0.179 527 G HA3 -0.220 3.859 3.960 0.198 0.000 0.179 527 G C -0.014 174.802 174.900 -0.141 0.000 1.002 527 G CA -0.037 44.964 45.100 -0.164 0.000 0.677 527 G HN 0.321 nan 8.290 nan 0.000 0.486 528 T N 2.558 117.010 114.554 -0.170 0.000 2.866 528 T HA 0.361 4.830 4.350 0.198 0.000 0.293 528 T C 0.870 175.558 174.700 -0.019 0.000 1.005 528 T CA 0.338 62.384 62.100 -0.089 0.000 1.162 528 T CB 0.602 69.439 68.868 -0.052 0.000 0.968 528 T HN 0.329 nan 8.240 nan 0.000 0.530 529 L N 4.490 125.693 121.223 -0.034 0.000 2.360 529 L HA 0.176 4.635 4.340 0.198 0.000 0.276 529 L C 1.349 178.333 176.870 0.191 0.000 1.121 529 L CA -0.437 54.420 54.840 0.028 0.000 0.845 529 L CB 0.780 42.707 42.059 -0.220 0.000 1.143 529 L HN 0.522 nan 8.230 nan 0.000 0.452 530 V N 2.129 122.238 119.914 0.326 0.000 2.484 530 V HA 0.140 4.379 4.120 0.198 0.000 0.236 530 V C 0.217 176.547 176.094 0.392 0.000 1.062 530 V CA 0.601 63.089 62.300 0.312 0.000 1.081 530 V CB 0.032 32.021 31.823 0.276 0.000 0.751 530 V HN 0.768 nan 8.190 nan 0.000 0.484 531 H N -0.385 118.822 119.070 0.229 0.000 3.060 531 H HA 0.237 4.912 4.556 0.198 0.000 0.330 531 H C -1.298 173.603 175.328 -0.711 0.000 1.305 531 H CA -0.586 55.288 56.048 -0.290 0.000 1.209 531 H CB 1.784 31.242 29.762 -0.507 0.000 1.913 531 H HN 0.373 nan 8.280 nan 0.000 0.534 532 E N 2.374 121.762 120.200 -1.354 0.000 2.289 532 E HA 0.297 4.766 4.350 0.198 0.000 0.278 532 E C 0.254 176.634 176.600 -0.367 0.000 1.032 532 E CA -0.201 55.439 56.400 -1.266 0.000 0.854 532 E CB 0.849 29.723 29.700 -1.377 0.000 1.046 532 E HN 0.411 nan 8.360 nan 0.000 0.409 533 V N 1.904 121.736 119.914 -0.135 0.000 3.604 533 V HA 0.417 4.656 4.120 0.198 0.000 0.277 533 V C -0.152 176.079 176.094 0.228 0.000 1.399 533 V CA -0.423 61.934 62.300 0.094 0.000 1.034 533 V CB -0.516 31.446 31.823 0.232 0.000 0.824 533 V HN 0.690 nan 8.190 nan 0.000 0.439 534 W N 1.738 123.013 121.300 -0.041 0.000 3.464 534 W HA 0.615 5.394 4.660 0.198 0.000 0.292 534 W C -1.804 174.719 176.519 0.007 0.000 1.262 534 W CA -0.609 56.743 57.345 0.013 0.000 1.202 534 W CB 1.295 30.799 29.460 0.074 0.000 1.334 534 W HN 0.221 nan 8.180 nan 0.000 0.561 535 K N 3.498 123.228 120.400 -1.117 0.000 2.597 535 K HA 0.755 5.194 4.320 0.198 0.000 0.282 535 K C -2.123 173.675 176.600 -1.336 0.000 0.975 535 K CA -0.854 54.789 56.287 -1.074 0.000 0.867 535 K CB 2.546 34.782 32.500 -0.440 0.000 1.465 535 K HN 0.377 nan 8.250 nan 0.000 0.417 536 D N -0.397 119.462 120.400 -0.902 0.000 2.783 536 D HA 0.374 5.133 4.640 0.198 0.000 0.253 536 D C -1.792 174.370 176.300 -0.231 0.000 1.206 536 D CA -0.161 53.546 54.000 -0.488 0.000 0.740 536 D CB 2.351 42.931 40.800 -0.367 0.000 1.313 536 D HN 0.573 nan 8.370 nan 0.000 0.427 537 S N -0.109 115.527 115.700 -0.107 0.000 2.570 537 S HA 1.040 5.629 4.470 0.198 0.000 0.286 537 S C -1.276 173.321 174.600 -0.006 0.000 1.099 537 S CA -0.151 58.014 58.200 -0.060 0.000 0.913 537 S CB 1.722 64.894 63.200 -0.046 0.000 1.085 537 S HN 0.789 nan 8.310 nan 0.000 0.480 538 A N 1.243 124.056 122.820 -0.012 0.000 2.610 538 A HA 0.824 5.263 4.320 0.198 0.000 0.291 538 A C -1.134 176.464 177.584 0.024 0.000 1.086 538 A CA -0.681 51.379 52.037 0.037 0.000 0.677 538 A CB 1.541 20.601 19.000 0.100 0.000 1.278 538 A HN 0.563 nan 8.150 nan 0.000 0.414 539 T N 1.981 116.562 114.554 0.045 0.000 2.861 539 T HA 0.730 5.199 4.350 0.198 0.000 0.287 539 T C -0.520 174.209 174.700 0.048 0.000 1.003 539 T CA -0.254 61.867 62.100 0.035 0.000 0.977 539 T CB 1.026 69.911 68.868 0.028 0.000 0.996 539 T HN 0.986 nan 8.240 nan 0.000 0.448 540 M N 0.405 120.030 119.600 0.042 0.000 2.365 540 M HA 0.707 5.306 4.480 0.198 0.000 0.287 540 M C -1.341 174.979 176.300 0.033 0.000 1.154 540 M CA -0.832 54.496 55.300 0.046 0.000 0.941 540 M CB 2.236 34.874 32.600 0.065 0.000 1.704 540 M HN 0.281 nan 8.290 nan 0.000 0.479 541 S N 3.356 119.074 115.700 0.030 0.000 2.456 541 S HA 0.787 5.376 4.470 0.198 0.000 0.316 541 S C -0.793 173.820 174.600 0.022 0.000 1.089 541 S CA -0.673 57.540 58.200 0.023 0.000 1.101 541 S CB 1.054 64.266 63.200 0.019 0.000 0.995 541 S HN 0.547 nan 8.310 nan 0.000 0.468 542 L N 2.597 123.832 121.223 0.020 0.000 2.330 542 L HA 0.583 5.042 4.340 0.198 0.000 0.271 542 L C 0.368 177.246 176.870 0.014 0.000 1.013 542 L CA -0.641 54.210 54.840 0.019 0.000 0.816 542 L CB 0.775 42.846 42.059 0.020 0.000 1.287 542 L HN 0.441 nan 8.230 nan 0.000 0.435 543 D N 0.790 121.197 120.400 0.013 0.000 2.387 543 D HA 0.280 5.039 4.640 0.198 0.000 0.251 543 D C -2.375 173.930 176.300 0.009 0.000 1.141 543 D CA -1.309 52.697 54.000 0.010 0.000 0.987 543 D CB 0.664 41.469 40.800 0.009 0.000 1.116 543 D HN 0.241 nan 8.370 nan 0.000 0.491 544 P HA -0.061 nan 4.420 nan 0.000 0.261 544 P C -0.001 177.302 177.300 0.006 0.000 1.165 544 P CA 0.922 64.025 63.100 0.005 0.000 0.759 544 P CB 0.283 31.986 31.700 0.004 0.000 0.772 545 E N -0.646 119.557 120.200 0.006 0.000 3.547 545 E HA -0.283 4.186 4.350 0.198 0.000 0.300 545 E C 0.195 176.800 176.600 0.008 0.000 0.857 545 E CA 1.213 57.617 56.400 0.006 0.000 1.039 545 E CB -1.456 28.247 29.700 0.005 0.000 1.524 545 E HN 0.617 nan 8.360 nan 0.000 0.457 546 E N 0.595 120.800 120.200 0.010 0.000 2.373 546 E HA 0.138 4.607 4.350 0.198 0.000 0.267 546 E C -0.566 176.043 176.600 0.015 0.000 1.032 546 E CA 0.068 56.476 56.400 0.012 0.000 0.889 546 E CB 0.546 30.255 29.700 0.014 0.000 0.984 546 E HN 0.123 nan 8.360 nan 0.000 0.425 547 E N 1.834 122.043 120.200 0.016 0.000 2.129 547 E HA 0.430 4.899 4.350 0.198 0.000 0.268 547 E C -1.118 175.497 176.600 0.024 0.000 0.900 547 E CA -0.560 55.851 56.400 0.019 0.000 0.755 547 E CB 1.816 31.525 29.700 0.015 0.000 1.117 547 E HN 0.529 nan 8.360 nan 0.000 0.410 548 A N 3.546 126.386 122.820 0.033 0.000 2.282 548 A HA 0.502 4.941 4.320 0.198 0.000 0.319 548 A C -0.280 177.336 177.584 0.053 0.000 1.121 548 A CA -0.537 51.527 52.037 0.044 0.000 0.836 548 A CB 0.826 19.860 19.000 0.056 0.000 1.146 548 A HN 0.660 nan 8.150 nan 0.000 0.494 549 E N 1.141 121.376 120.200 0.059 0.000 2.518 549 E HA 0.117 4.586 4.350 0.198 0.000 0.240 549 E C -1.438 175.209 176.600 0.079 0.000 0.996 549 E CA -0.341 56.095 56.400 0.060 0.000 0.768 549 E CB 0.813 30.530 29.700 0.029 0.000 1.329 549 E HN 0.709 nan 8.360 nan 0.000 0.408 550 H N 4.730 123.822 119.070 0.038 0.000 2.705 550 H HA 0.236 4.911 4.556 0.198 0.000 0.291 550 H C -2.436 172.921 175.328 0.048 0.000 1.085 550 H CA -2.037 54.043 56.048 0.053 0.000 1.357 550 H CB 0.915 30.722 29.762 0.074 0.000 1.419 550 H HN 0.229 nan 8.280 nan 0.000 0.462 551 P HA 0.176 nan 4.420 nan 0.000 0.281 551 P C -0.327 176.940 177.300 -0.055 0.000 1.252 551 P CA -0.144 62.892 63.100 -0.108 0.000 0.778 551 P CB 1.336 32.961 31.700 -0.124 0.000 0.895 552 I N 3.650 124.205 120.570 -0.024 0.000 2.362 552 I HA 0.358 4.646 4.170 0.198 0.000 0.289 552 I C 0.569 176.512 176.117 -0.289 0.000 0.994 552 I CA -0.574 60.619 61.300 -0.178 0.000 1.158 552 I CB 1.744 39.545 38.000 -0.333 0.000 1.315 552 I HN 0.232 nan 8.210 nan 0.000 0.451 553 K N 8.308 128.529 120.400 -0.299 0.000 2.502 553 K HA 0.622 5.061 4.320 0.198 0.000 0.254 553 K C -1.522 174.936 176.600 -0.236 0.000 0.947 553 K CA -0.461 55.709 56.287 -0.195 0.000 0.834 553 K CB 1.368 33.841 32.500 -0.045 0.000 1.112 553 K HN 0.590 nan 8.250 nan 0.000 0.427 554 I N 3.906 124.372 120.570 -0.174 0.000 2.389 554 I HA 0.158 4.447 4.170 0.198 0.000 0.288 554 I C 0.321 176.542 176.117 0.173 0.000 0.999 554 I CA -0.828 60.470 61.300 -0.004 0.000 1.129 554 I CB 1.890 39.904 38.000 0.024 0.000 1.288 554 I HN 0.676 nan 8.210 nan 0.000 0.444 555 S N 4.967 120.757 115.700 0.150 0.000 2.614 555 S HA 0.123 4.712 4.470 0.198 0.000 0.265 555 S C 0.964 175.535 174.600 -0.049 0.000 1.303 555 S CA -0.250 58.013 58.200 0.105 0.000 1.000 555 S CB 0.991 64.228 63.200 0.062 0.000 0.935 555 S HN 0.632 nan 8.310 nan 0.000 0.551 556 Y N 2.017 122.135 120.300 -0.303 0.000 2.145 556 Y HA -0.061 4.607 4.550 0.198 0.000 0.286 556 Y C 2.531 178.042 175.900 -0.648 0.000 1.145 556 Y CA 1.971 59.601 58.100 -0.783 0.000 1.148 556 Y CB -1.238 37.023 38.460 -0.331 0.000 0.981 556 Y HN 0.830 nan 8.280 nan 0.000 0.507 557 A N 0.292 122.895 122.820 -0.361 0.000 1.948 557 A HA -0.292 4.147 4.320 0.198 0.000 0.220 557 A C 2.168 179.578 177.584 -0.291 0.000 1.177 557 A CA 2.115 53.943 52.037 -0.348 0.000 0.636 557 A CB -0.821 18.104 19.000 -0.125 0.000 0.815 557 A HN 0.712 nan 8.150 nan 0.000 0.449 558 Q N -2.095 117.601 119.800 -0.174 0.000 2.167 558 Q HA -0.174 4.285 4.340 0.198 0.000 0.202 558 Q C 1.839 177.875 176.000 0.059 0.000 0.970 558 Q CA 1.891 57.690 55.803 -0.007 0.000 0.855 558 Q CB -0.173 28.639 28.738 0.123 0.000 0.911 558 Q HN 1.067 nan 8.270 nan 0.000 0.438 559 Y N -1.186 119.122 120.300 0.014 0.000 2.535 559 Y HA 0.187 4.855 4.550 0.198 0.000 0.264 559 Y C 1.727 177.595 175.900 -0.053 0.000 1.087 559 Y CA 0.391 58.522 58.100 0.052 0.000 1.285 559 Y CB -0.582 37.938 38.460 0.101 0.000 1.200 559 Y HN 0.005 nan 8.280 nan 0.000 0.514 560 E N 1.709 121.614 120.200 -0.492 0.000 2.187 560 E HA -0.293 4.176 4.350 0.198 0.000 0.199 560 E C 2.080 178.505 176.600 -0.291 0.000 1.004 560 E CA 2.006 58.141 56.400 -0.443 0.000 0.813 560 E CB -0.417 28.495 29.700 -1.313 0.000 0.736 560 E HN 0.527 nan 8.360 nan 0.000 0.468 561 R N -0.902 119.370 120.500 -0.380 0.000 2.081 561 R HA -0.099 4.360 4.340 0.198 0.000 0.235 561 R C 1.009 176.909 176.300 -0.667 0.000 1.131 561 R CA 1.677 57.426 56.100 -0.585 0.000 0.960 561 R CB -0.107 29.698 30.300 -0.824 0.000 0.856 561 R HN 0.401 nan 8.270 nan 0.000 0.436 562 Y N -0.870 119.377 120.300 -0.087 0.000 2.481 562 Y HA 0.194 4.863 4.550 0.198 0.000 0.247 562 Y C -0.114 175.824 175.900 0.064 0.000 1.151 562 Y CA -0.797 57.275 58.100 -0.047 0.000 1.238 562 Y CB 0.471 38.861 38.460 -0.118 0.000 1.179 562 Y HN -0.010 nan 8.280 nan 0.000 0.524 563 L N 2.033 123.378 121.223 0.205 0.000 2.410 563 L HA 0.258 4.717 4.340 0.198 0.000 0.273 563 L C -0.231 176.745 176.870 0.177 0.000 1.152 563 L CA -0.079 54.897 54.840 0.227 0.000 0.855 563 L CB 0.295 42.539 42.059 0.309 0.000 1.129 563 L HN -0.095 nan 8.230 nan 0.000 0.463 564 K N 1.705 122.219 120.400 0.191 0.000 2.288 564 K HA 0.351 4.789 4.320 0.198 0.000 0.234 564 K C 1.205 177.936 176.600 0.217 0.000 1.037 564 K CA 0.200 56.604 56.287 0.194 0.000 0.914 564 K CB 1.215 33.842 32.500 0.212 0.000 1.197 564 K HN 0.655 nan 8.250 nan 0.000 0.471 565 S N -0.233 115.613 115.700 0.242 0.000 2.465 565 S HA -0.163 4.426 4.470 0.198 0.000 0.241 565 S C 0.869 175.596 174.600 0.212 0.000 1.000 565 S CA 1.421 59.752 58.200 0.219 0.000 0.964 565 S CB -0.221 63.106 63.200 0.211 0.000 0.763 565 S HN 0.438 nan 8.310 nan 0.000 0.512 566 D N 1.996 122.544 120.400 0.246 0.000 2.178 566 D HA -0.086 4.673 4.640 0.198 0.000 0.202 566 D C 0.362 176.778 176.300 0.194 0.000 0.974 566 D CA 0.882 55.030 54.000 0.246 0.000 0.841 566 D CB -0.594 40.388 40.800 0.303 0.000 0.953 566 D HN 0.643 nan 8.370 nan 0.000 0.478 567 N N -0.265 118.544 118.700 0.182 0.000 2.735 567 N HA -0.177 4.682 4.740 0.198 0.000 0.248 567 N C -0.558 175.020 175.510 0.115 0.000 1.083 567 N CA 0.065 53.201 53.050 0.144 0.000 0.703 567 N CB -0.833 37.735 38.487 0.135 0.000 1.005 567 N HN 0.254 nan 8.380 nan 0.000 0.550 568 M N 0.917 120.603 119.600 0.142 0.000 2.456 568 M HA 0.570 5.169 4.480 0.198 0.000 0.324 568 M C -0.480 175.899 176.300 0.131 0.000 1.124 568 M CA -0.502 54.881 55.300 0.139 0.000 0.959 568 M CB 2.179 34.895 32.600 0.193 0.000 1.692 568 M HN -0.010 nan 8.290 nan 0.000 0.444 569 I N 1.623 122.259 120.570 0.112 0.000 2.499 569 I HA 0.432 4.721 4.170 0.198 0.000 0.288 569 I C -0.535 175.679 176.117 0.163 0.000 1.048 569 I CA -0.842 60.540 61.300 0.136 0.000 1.062 569 I CB 2.272 40.313 38.000 0.069 0.000 1.238 569 I HN 0.623 nan 8.210 nan 0.000 0.426 570 R N 6.767 127.399 120.500 0.220 0.000 2.234 570 R HA 0.496 4.955 4.340 0.198 0.000 0.324 570 R C -1.160 175.292 176.300 0.253 0.000 1.054 570 R CA -0.066 56.164 56.100 0.217 0.000 0.912 570 R CB 0.448 30.872 30.300 0.206 0.000 1.030 570 R HN 0.445 nan 8.270 nan 0.000 0.455 571 I N 4.579 125.271 120.570 0.203 0.000 2.389 571 I HA 0.336 4.625 4.170 0.198 0.000 0.288 571 I C -0.348 175.884 176.117 0.190 0.000 0.999 571 I CA -0.465 60.962 61.300 0.212 0.000 1.129 571 I CB 1.496 39.575 38.000 0.132 0.000 1.288 571 I HN 0.652 nan 8.210 nan 0.000 0.444 572 T N 4.667 119.356 114.554 0.225 0.000 2.887 572 T HA 0.808 5.277 4.350 0.198 0.000 0.288 572 T C -0.371 174.392 174.700 0.105 0.000 1.021 572 T CA -0.686 61.489 62.100 0.124 0.000 1.000 572 T CB 2.435 71.385 68.868 0.137 0.000 1.034 572 T HN 0.697 nan 8.240 nan 0.000 0.467 573 A N 1.997 124.821 122.820 0.007 0.000 2.499 573 A HA 0.632 5.071 4.320 0.198 0.000 0.280 573 A C -0.792 176.765 177.584 -0.045 0.000 1.135 573 A CA -0.576 51.467 52.037 0.010 0.000 0.744 573 A CB 0.797 19.811 19.000 0.024 0.000 1.213 573 A HN 0.652 nan 8.150 nan 0.000 0.434 574 V N 2.420 122.315 119.914 -0.032 0.000 2.334 574 V HA 0.238 4.477 4.120 0.198 0.000 0.267 574 V C 0.052 176.144 176.094 -0.003 0.000 1.040 574 V CA -0.396 61.886 62.300 -0.031 0.000 0.866 574 V CB 0.189 32.012 31.823 -0.001 0.000 1.019 574 V HN 0.929 nan 8.190 nan 0.000 0.468 575 C N 5.061 124.358 119.300 -0.004 0.000 2.366 575 C HA 0.776 5.355 4.460 0.198 0.000 0.345 575 C C 0.186 175.188 174.990 0.020 0.000 1.209 575 C CA -0.938 58.083 59.018 0.004 0.000 2.050 575 C CB 0.932 28.671 27.740 -0.002 0.000 2.359 575 C HN 0.927 nan 8.230 nan 0.000 0.527 576 K N 1.285 121.699 120.400 0.023 0.000 2.523 576 K HA 0.700 5.139 4.320 0.198 0.000 0.257 576 K C -1.894 174.717 176.600 0.018 0.000 0.932 576 K CA -0.379 55.926 56.287 0.029 0.000 0.812 576 K CB 1.866 34.394 32.500 0.046 0.000 1.326 576 K HN 0.503 nan 8.250 nan 0.000 0.433 577 V N 4.880 124.802 119.914 0.013 0.000 2.581 577 V HA 0.271 4.510 4.120 0.198 0.000 0.303 577 V C -1.675 174.420 176.094 0.003 0.000 1.041 577 V CA -2.020 60.284 62.300 0.007 0.000 0.907 577 V CB 1.630 33.456 31.823 0.004 0.000 0.994 577 V HN 0.805 nan 8.190 nan 0.000 0.442 578 P HA -0.231 nan 4.420 nan 0.000 0.226 578 P C 0.545 177.838 177.300 -0.011 0.000 1.154 578 P CA 1.878 64.976 63.100 -0.004 0.000 0.918 578 P CB 0.240 31.939 31.700 -0.002 0.000 0.790 579 D N -2.086 118.307 120.400 -0.012 0.000 2.720 579 D HA 0.115 4.874 4.640 0.198 0.000 0.285 579 D C 0.077 176.364 176.300 -0.022 0.000 1.359 579 D CA -0.155 53.833 54.000 -0.020 0.000 0.818 579 D CB 0.250 41.039 40.800 -0.018 0.000 1.108 579 D HN 0.134 nan 8.370 nan 0.000 0.474 580 E N -1.053 119.136 120.200 -0.017 0.000 2.449 580 E HA 0.529 4.998 4.350 0.198 0.000 0.254 580 E C -0.648 175.945 176.600 -0.012 0.000 0.907 580 E CA -1.074 55.317 56.400 -0.015 0.000 0.840 580 E CB 1.379 31.075 29.700 -0.006 0.000 1.459 580 E HN -0.163 nan 8.360 nan 0.000 0.407 581 S N 0.804 116.503 115.700 -0.001 0.000 2.554 581 S HA 0.178 4.767 4.470 0.198 0.000 0.278 581 S C -0.835 173.792 174.600 0.045 0.000 1.242 581 S CA -0.584 57.630 58.200 0.023 0.000 1.051 581 S CB 0.724 63.938 63.200 0.022 0.000 0.986 581 S HN 0.255 nan 8.310 nan 0.000 0.502 582 E N 1.190 121.446 120.200 0.094 0.000 2.414 582 E HA 0.172 4.641 4.350 0.198 0.000 0.263 582 E C -0.821 175.804 176.600 0.043 0.000 1.000 582 E CA -0.082 56.368 56.400 0.085 0.000 0.914 582 E CB 0.320 30.109 29.700 0.147 0.000 0.948 582 E HN 0.200 nan 8.360 nan 0.000 0.444 583 V N 4.214 124.136 119.914 0.012 0.000 2.318 583 V HA 0.125 4.363 4.120 0.198 0.000 0.271 583 V C -0.325 175.743 176.094 -0.043 0.000 1.030 583 V CA -0.791 61.501 62.300 -0.015 0.000 0.844 583 V CB 1.163 32.978 31.823 -0.014 0.000 1.015 583 V HN 0.449 nan 8.190 nan 0.000 0.460 584 V N 6.532 126.398 119.914 -0.079 0.000 2.408 584 V HA 0.254 4.493 4.120 0.198 0.000 0.267 584 V C 0.138 176.151 176.094 -0.135 0.000 1.047 584 V CA -0.244 61.961 62.300 -0.159 0.000 0.937 584 V CB 1.414 33.079 31.823 -0.262 0.000 0.999 584 V HN 0.599 nan 8.190 nan 0.000 0.472 585 V N 6.423 126.268 119.914 -0.115 0.000 2.357 585 V HA 0.459 4.698 4.120 0.198 0.000 0.284 585 V C 0.064 176.118 176.094 -0.067 0.000 1.018 585 V CA -0.597 61.664 62.300 -0.065 0.000 0.841 585 V CB 1.317 33.124 31.823 -0.026 0.000 0.991 585 V HN 1.022 nan 8.190 nan 0.000 0.437 586 E N 4.587 124.762 120.200 -0.042 0.000 2.277 586 E HA 0.914 5.383 4.350 0.198 0.000 0.266 586 E C -0.806 175.824 176.600 0.050 0.000 0.901 586 E CA -1.390 55.013 56.400 0.005 0.000 0.782 586 E CB 2.971 32.680 29.700 0.016 0.000 1.228 586 E HN 0.426 nan 8.360 nan 0.000 0.424 587 R N 1.464 122.014 120.500 0.082 0.000 2.678 587 R HA 0.238 4.697 4.340 0.198 0.000 0.267 587 R C -2.243 174.120 176.300 0.106 0.000 1.173 587 R CA -0.294 55.857 56.100 0.085 0.000 1.061 587 R CB 1.047 31.384 30.300 0.062 0.000 1.262 587 R HN 0.558 nan 8.270 nan 0.000 0.427 588 D N 4.576 125.046 120.400 0.117 0.000 2.225 588 D HA 0.401 5.160 4.640 0.198 0.000 0.248 588 D C 0.178 176.542 176.300 0.107 0.000 1.096 588 D CA -0.105 53.973 54.000 0.130 0.000 0.863 588 D CB 1.044 41.939 40.800 0.158 0.000 1.156 588 D HN 0.522 nan 8.370 nan 0.000 0.450 589 I N -1.473 119.152 120.570 0.092 0.000 2.863 589 I HA 0.627 4.916 4.170 0.198 0.000 0.311 589 I C -0.649 175.508 176.117 0.067 0.000 1.026 589 I CA -1.000 60.338 61.300 0.062 0.000 1.077 589 I CB 1.802 39.817 38.000 0.026 0.000 1.262 589 I HN 0.110 nan 8.210 nan 0.000 0.461 590 I N 3.733 124.333 120.570 0.050 0.000 2.466 590 I HA 0.358 4.647 4.170 0.198 0.000 0.289 590 I C -1.184 174.949 176.117 0.026 0.000 1.026 590 I CA -0.650 60.683 61.300 0.054 0.000 1.078 590 I CB 2.045 40.083 38.000 0.064 0.000 1.249 590 I HN 0.379 nan 8.210 nan 0.000 0.429 591 L N 5.804 127.042 121.223 0.025 0.000 2.295 591 L HA 0.389 4.848 4.340 0.198 0.000 0.285 591 L C 0.022 176.923 176.870 0.051 0.000 1.035 591 L CA -0.246 54.608 54.840 0.024 0.000 0.806 591 L CB 0.770 42.831 42.059 0.003 0.000 1.214 591 L HN 0.429 nan 8.230 nan 0.000 0.426 592 D N 2.058 122.482 120.400 0.039 0.000 2.339 592 D HA 0.132 4.891 4.640 0.198 0.000 0.245 592 D C -0.135 176.191 176.300 0.043 0.000 1.115 592 D CA -0.097 53.921 54.000 0.030 0.000 0.917 592 D CB 0.920 41.724 40.800 0.007 0.000 1.192 592 D HN 0.407 nan 8.370 nan 0.000 0.428 593 N N 1.582 120.298 118.700 0.026 0.000 2.515 593 N HA 0.251 5.110 4.740 0.198 0.000 0.279 593 N C -2.200 173.272 175.510 -0.064 0.000 1.164 593 N CA -0.930 52.115 53.050 -0.008 0.000 0.982 593 N CB 0.774 39.260 38.487 -0.001 0.000 1.170 593 N HN 0.184 nan 8.380 nan 0.000 0.474 594 P HA 0.023 nan 4.420 nan 0.000 0.269 594 P C -0.385 176.930 177.300 0.025 0.000 1.209 594 P CA 0.065 63.093 63.100 -0.119 0.000 0.776 594 P CB 0.214 31.756 31.700 -0.264 0.000 0.876 595 T N 2.393 116.944 114.554 -0.005 0.000 2.930 595 T HA 0.219 4.688 4.350 0.198 0.000 0.306 595 T C 0.223 175.009 174.700 0.143 0.000 1.045 595 T CA 0.134 62.254 62.100 0.032 0.000 1.134 595 T CB 0.068 68.924 68.868 -0.020 0.000 0.961 595 T HN 0.303 nan 8.240 nan 0.000 0.545 596 L N 2.930 124.212 121.223 0.098 0.000 2.356 596 L HA 0.577 5.036 4.340 0.198 0.000 0.277 596 L C -0.389 176.501 176.870 0.033 0.000 0.996 596 L CA -0.034 54.861 54.840 0.091 0.000 0.822 596 L CB 1.974 44.032 42.059 -0.003 0.000 1.256 596 L HN 0.624 nan 8.230 nan 0.000 0.413 597 T N 5.762 120.331 114.554 0.025 0.000 2.856 597 T HA 0.631 5.100 4.350 0.198 0.000 0.283 597 T C -0.677 174.033 174.700 0.016 0.000 1.008 597 T CA -0.408 61.697 62.100 0.008 0.000 0.997 597 T CB 1.302 70.163 68.868 -0.011 0.000 0.992 597 T HN 0.454 nan 8.240 nan 0.000 0.454 598 L N 2.862 124.094 121.223 0.014 0.000 2.341 598 L HA 0.583 5.042 4.340 0.198 0.000 0.278 598 L C -0.173 176.689 176.870 -0.014 0.000 1.005 598 L CA -0.681 54.172 54.840 0.022 0.000 0.818 598 L CB 1.729 43.818 42.059 0.050 0.000 1.259 598 L HN 0.614 nan 8.230 nan 0.000 0.418 599 E N 2.825 122.998 120.200 -0.045 0.000 2.263 599 E HA 0.382 4.851 4.350 0.198 0.000 0.268 599 E C -1.325 175.219 176.600 -0.093 0.000 0.884 599 E CA -0.746 55.618 56.400 -0.060 0.000 0.766 599 E CB 3.111 32.775 29.700 -0.060 0.000 1.196 599 E HN 0.181 nan 8.360 nan 0.000 0.416 600 V N 3.920 123.791 119.914 -0.072 0.000 2.546 600 V HA 0.129 4.368 4.120 0.198 0.000 0.284 600 V C 0.922 176.970 176.094 -0.075 0.000 1.050 600 V CA -0.225 62.026 62.300 -0.081 0.000 0.981 600 V CB 0.885 32.677 31.823 -0.052 0.000 0.990 600 V HN 0.722 nan 8.190 nan 0.000 0.474 601 L N 4.549 125.720 121.223 -0.086 0.000 2.667 601 L HA 0.332 4.791 4.340 0.198 0.000 0.232 601 L C 0.533 177.372 176.870 -0.051 0.000 1.138 601 L CA 0.123 54.921 54.840 -0.069 0.000 0.921 601 L CB -0.394 41.617 42.059 -0.081 0.000 1.180 601 L HN 0.951 nan 8.230 nan 0.000 0.487 602 N N -1.273 117.400 118.700 -0.045 0.000 3.227 602 N HA 0.035 4.894 4.740 0.198 0.000 0.241 602 N C -1.135 174.359 175.510 -0.027 0.000 1.480 602 N CA -0.748 52.282 53.050 -0.033 0.000 0.886 602 N CB 1.334 39.803 38.487 -0.030 0.000 1.406 602 N HN -0.082 nan 8.380 nan 0.000 0.514 603 E N 0.044 120.232 120.200 -0.020 0.000 2.384 603 E HA 0.419 4.888 4.350 0.198 0.000 0.266 603 E C -0.534 176.059 176.600 -0.013 0.000 1.012 603 E CA -0.462 55.929 56.400 -0.015 0.000 0.901 603 E CB 0.597 30.290 29.700 -0.011 0.000 0.967 603 E HN 0.604 nan 8.360 nan 0.000 0.435 604 A N 5.615 128.429 122.820 -0.010 0.000 2.289 604 A HA 0.469 4.908 4.320 0.198 0.000 0.298 604 A C -0.458 177.125 177.584 -0.001 0.000 1.208 604 A CA -0.393 51.640 52.037 -0.006 0.000 0.845 604 A CB 0.543 19.541 19.000 -0.004 0.000 1.125 604 A HN 0.705 nan 8.150 nan 0.000 0.517 605 R N 1.532 122.032 120.500 0.001 0.000 2.740 605 R HA 0.478 4.937 4.340 0.198 0.000 0.273 605 R C -1.159 175.145 176.300 0.007 0.000 0.998 605 R CA -0.997 55.105 56.100 0.003 0.000 0.900 605 R CB 1.970 32.271 30.300 0.002 0.000 1.223 605 R HN 0.478 nan 8.270 nan 0.000 0.466 606 V N 3.153 123.071 119.914 0.008 0.000 2.788 606 V HA -0.077 4.162 4.120 0.198 0.000 0.307 606 V C 1.170 177.271 176.094 0.011 0.000 1.069 606 V CA 0.591 62.897 62.300 0.010 0.000 1.173 606 V CB 0.206 32.035 31.823 0.009 0.000 0.925 606 V HN 0.809 nan 8.190 nan 0.000 0.492 607 R N 0.905 121.414 120.500 0.014 0.000 4.023 607 R HA -0.208 4.251 4.340 0.198 0.000 0.368 607 R C 0.001 176.309 176.300 0.013 0.000 1.187 607 R CA 1.203 57.312 56.100 0.015 0.000 1.089 607 R CB -1.192 29.116 30.300 0.014 0.000 1.574 607 R HN 0.696 nan 8.270 nan 0.000 0.564 608 K N 1.093 121.500 120.400 0.011 0.000 2.265 608 K HA 0.334 4.773 4.320 0.198 0.000 0.267 608 K C -2.522 174.084 176.600 0.009 0.000 0.994 608 K CA -2.016 54.276 56.287 0.008 0.000 0.860 608 K CB 1.769 34.272 32.500 0.005 0.000 1.099 608 K HN -0.222 nan 8.250 nan 0.000 0.448 609 P HA -0.030 nan 4.420 nan 0.000 0.267 609 P C -1.022 176.277 177.300 -0.001 0.000 1.205 609 P CA -0.316 62.790 63.100 0.011 0.000 0.765 609 P CB 0.750 32.457 31.700 0.012 0.000 0.828 610 V N 4.489 124.400 119.914 -0.005 0.000 2.483 610 V HA 0.366 4.604 4.120 0.198 0.000 0.297 610 V C -0.517 175.542 176.094 -0.057 0.000 1.027 610 V CA -0.872 61.412 62.300 -0.026 0.000 0.855 610 V CB 1.269 33.079 31.823 -0.022 0.000 0.995 610 V HN 0.439 nan 8.190 nan 0.000 0.424 611 N N 4.732 123.383 118.700 -0.081 0.000 2.520 611 N HA 0.412 5.271 4.740 0.198 0.000 0.273 611 N C -0.834 174.536 175.510 -0.233 0.000 1.155 611 N CA 0.140 53.105 53.050 -0.141 0.000 0.967 611 N CB 1.671 40.095 38.487 -0.105 0.000 1.092 611 N HN 0.572 nan 8.380 nan 0.000 0.457 612 V N 2.546 122.188 119.914 -0.454 0.000 2.914 612 V HA 0.398 4.637 4.120 0.198 0.000 0.314 612 V C -0.347 175.344 176.094 -0.671 0.000 1.084 612 V CA -0.826 61.115 62.300 -0.599 0.000 0.963 612 V CB 2.174 33.491 31.823 -0.844 0.000 1.025 612 V HN 0.574 nan 8.190 nan 0.000 0.432 613 Q N 2.771 122.338 119.800 -0.388 0.000 2.340 613 Q HA 0.568 5.027 4.340 0.198 0.000 0.268 613 Q C -1.054 174.902 176.000 -0.072 0.000 1.031 613 Q CA -0.536 55.141 55.803 -0.210 0.000 0.804 613 Q CB 2.540 31.207 28.738 -0.118 0.000 1.286 613 Q HN 0.675 nan 8.270 nan 0.000 0.448 614 M N 4.863 124.494 119.600 0.053 0.000 2.149 614 M HA 0.443 5.042 4.480 0.198 0.000 0.342 614 M C -2.047 174.277 176.300 0.039 0.000 1.068 614 M CA -0.523 54.846 55.300 0.114 0.000 0.991 614 M CB 0.431 33.172 32.600 0.235 0.000 1.596 614 M HN 0.644 nan 8.290 nan 0.000 0.439 615 L N 6.157 127.386 121.223 0.010 0.000 2.341 615 L HA 0.656 5.115 4.340 0.198 0.000 0.278 615 L C -1.245 175.630 176.870 0.008 0.000 1.005 615 L CA -0.632 54.200 54.840 -0.012 0.000 0.818 615 L CB 1.952 43.993 42.059 -0.029 0.000 1.259 615 L HN 0.662 nan 8.230 nan 0.000 0.418 616 F N 1.232 121.040 119.950 -0.236 0.000 2.591 616 F HA 0.616 5.263 4.527 0.200 0.000 0.309 616 F C -0.817 174.852 175.800 -0.219 0.000 1.098 616 F CA -0.450 57.363 58.000 -0.312 0.000 0.937 616 F CB 2.374 40.993 39.000 -0.635 0.000 1.250 616 F HN 0.306 nan 8.300 nan 0.000 0.447 617 S N 3.753 118.729 115.700 -1.207 0.000 2.519 617 S HA 0.268 4.857 4.470 0.198 0.000 0.309 617 S C -1.098 172.833 174.600 -1.114 0.000 1.100 617 S CA -0.703 56.985 58.200 -0.854 0.000 1.059 617 S CB 1.119 64.039 63.200 -0.467 0.000 1.008 617 S HN 0.608 nan 8.310 nan 0.000 0.478 618 N N 4.359 122.708 118.700 -0.585 0.000 2.402 618 N HA 0.228 5.087 4.740 0.198 0.000 0.252 618 N C -1.310 174.127 175.510 -0.121 0.000 1.118 618 N CA -1.959 50.961 53.050 -0.217 0.000 0.945 618 N CB 0.871 39.402 38.487 0.074 0.000 1.147 618 N HN 0.248 nan 8.380 nan 0.000 0.495 619 P HA -0.042 nan 4.420 nan 0.000 0.236 619 P C 0.155 177.446 177.300 -0.015 0.000 1.177 619 P CA 0.506 63.566 63.100 -0.066 0.000 0.773 619 P CB 0.459 32.110 31.700 -0.082 0.000 0.878 620 L N 0.237 121.496 121.223 0.060 0.000 2.476 620 L HA 0.150 4.609 4.340 0.198 0.000 0.255 620 L C 1.715 178.587 176.870 0.003 0.000 1.218 620 L CA -0.192 54.653 54.840 0.007 0.000 0.819 620 L CB 0.042 42.133 42.059 0.052 0.000 1.119 620 L HN -0.226 nan 8.230 nan 0.000 0.485 621 D N -0.232 120.166 120.400 -0.004 0.000 2.289 621 D HA -0.031 4.728 4.640 0.198 0.000 0.207 621 D C 0.453 176.767 176.300 0.023 0.000 0.966 621 D CA 0.631 54.636 54.000 0.008 0.000 0.868 621 D CB 0.431 41.239 40.800 0.013 0.000 0.943 621 D HN 0.632 nan 8.370 nan 0.000 0.514 622 E N 1.194 121.415 120.200 0.036 0.000 2.222 622 E HA 0.445 4.914 4.350 0.198 0.000 0.267 622 E C -2.712 173.919 176.600 0.053 0.000 0.963 622 E CA -2.040 54.383 56.400 0.038 0.000 0.837 622 E CB 2.152 31.875 29.700 0.037 0.000 1.183 622 E HN -0.189 nan 8.360 nan 0.000 0.403 623 P HA 0.059 nan 4.420 nan 0.000 0.276 623 P C -0.309 177.045 177.300 0.091 0.000 1.261 623 P CA -0.524 62.622 63.100 0.077 0.000 0.800 623 P CB 1.088 32.825 31.700 0.061 0.000 1.066 624 V N -1.084 118.918 119.914 0.146 0.000 2.459 624 V HA 0.624 4.863 4.120 0.198 0.000 0.295 624 V C 0.176 176.346 176.094 0.127 0.000 1.029 624 V CA -0.815 61.579 62.300 0.157 0.000 0.874 624 V CB 1.375 33.393 31.823 0.326 0.000 0.985 624 V HN 0.458 nan 8.190 nan 0.000 0.438 625 R N 1.458 121.997 120.500 0.064 0.000 2.944 625 R HA 0.522 4.980 4.340 0.198 0.000 0.233 625 R C -0.612 175.689 176.300 0.002 0.000 1.346 625 R CA -0.692 55.431 56.100 0.038 0.000 1.082 625 R CB 0.430 30.739 30.300 0.014 0.000 1.434 625 R HN 0.831 nan 8.270 nan 0.000 0.510 626 D N 0.279 120.670 120.400 -0.015 0.000 2.740 626 D HA -0.163 4.596 4.640 0.198 0.000 0.231 626 D C -0.695 175.537 176.300 -0.112 0.000 1.194 626 D CA 0.649 54.617 54.000 -0.053 0.000 0.673 626 D CB -1.431 39.333 40.800 -0.059 0.000 0.995 626 D HN 0.360 nan 8.370 nan 0.000 0.411 627 C N 0.450 119.692 119.300 -0.097 0.000 2.435 627 C HA 0.567 5.146 4.460 0.198 0.000 0.375 627 C C 0.947 175.790 174.990 -0.245 0.000 1.281 627 C CA -0.715 58.154 59.018 -0.248 0.000 1.963 627 C CB 1.113 28.869 27.740 0.026 0.000 2.490 627 C HN 0.238 nan 8.230 nan 0.000 0.557 628 V N 4.780 124.434 119.914 -0.433 0.000 2.760 628 V HA 0.447 4.686 4.120 0.198 0.000 0.309 628 V C -0.515 175.420 176.094 -0.265 0.000 1.077 628 V CA -0.483 61.664 62.300 -0.255 0.000 0.910 628 V CB 1.901 33.597 31.823 -0.211 0.000 1.008 628 V HN 0.768 nan 8.190 nan 0.000 0.424 629 L N 4.798 125.972 121.223 -0.081 0.000 2.287 629 L HA 0.658 5.117 4.340 0.198 0.000 0.287 629 L C -0.896 175.918 176.870 -0.094 0.000 1.022 629 L CA -0.570 54.268 54.840 -0.002 0.000 0.814 629 L CB 1.546 43.657 42.059 0.085 0.000 1.217 629 L HN 0.738 nan 8.230 nan 0.000 0.420 630 M N 5.038 124.577 119.600 -0.101 0.000 2.114 630 M HA 0.453 5.052 4.480 0.198 0.000 0.332 630 M C -1.149 175.069 176.300 -0.137 0.000 1.014 630 M CA -0.247 54.976 55.300 -0.128 0.000 0.956 630 M CB 1.481 34.007 32.600 -0.123 0.000 1.551 630 M HN 0.228 nan 8.290 nan 0.000 0.427 631 V N 4.362 124.161 119.914 -0.192 0.000 2.823 631 V HA 0.810 5.049 4.120 0.198 0.000 0.312 631 V C -0.617 175.388 176.094 -0.149 0.000 1.072 631 V CA -0.556 61.624 62.300 -0.200 0.000 0.937 631 V CB 2.144 33.723 31.823 -0.408 0.000 1.013 631 V HN 0.886 nan 8.190 nan 0.000 0.430 632 E N 1.982 122.122 120.200 -0.101 0.000 2.442 632 E HA 0.794 5.263 4.350 0.198 0.000 0.278 632 E C -0.585 175.981 176.600 -0.056 0.000 1.082 632 E CA -0.833 55.520 56.400 -0.079 0.000 0.861 632 E CB 2.150 31.794 29.700 -0.093 0.000 1.462 632 E HN 1.253 nan 8.360 nan 0.000 0.458 633 G N 0.570 109.342 108.800 -0.047 0.000 1.980 633 G HA2 0.220 4.299 3.960 0.198 0.000 0.198 633 G HA3 0.220 4.299 3.960 0.198 0.000 0.198 633 G C -0.832 174.066 174.900 -0.003 0.000 1.587 633 G CA -0.481 44.599 45.100 -0.032 0.000 0.975 633 G HN 0.445 nan 8.290 nan 0.000 0.682 634 S N 0.349 116.051 115.700 0.005 0.000 2.563 634 S HA 0.425 5.014 4.470 0.198 0.000 0.294 634 S C 1.733 176.362 174.600 0.048 0.000 1.279 634 S CA 1.741 59.967 58.200 0.043 0.000 1.069 634 S CB 1.140 64.388 63.200 0.082 0.000 0.828 634 S HN 2.447 nan 8.310 nan 0.000 0.497 635 G N 1.864 110.694 108.800 0.050 0.000 2.253 635 G HA2 -0.250 3.829 3.960 0.198 0.000 0.251 635 G HA3 -0.250 3.829 3.960 0.198 0.000 0.251 635 G C 0.564 175.484 174.900 0.033 0.000 0.998 635 G CA 0.491 45.614 45.100 0.039 0.000 0.621 635 G HN 0.583 nan 8.290 nan 0.000 0.524 636 L N -0.890 120.354 121.223 0.034 0.000 2.445 636 L HA 0.565 5.024 4.340 0.198 0.000 0.207 636 L C 1.237 178.135 176.870 0.046 0.000 1.053 636 L CA 0.399 55.263 54.840 0.040 0.000 0.841 636 L CB 0.127 42.212 42.059 0.043 0.000 1.074 636 L HN 0.172 nan 8.230 nan 0.000 0.479 637 L N -0.425 120.820 121.223 0.036 0.000 2.303 637 L HA 0.448 4.907 4.340 0.198 0.000 0.256 637 L C -1.391 175.492 176.870 0.023 0.000 1.034 637 L CA -0.871 53.987 54.840 0.031 0.000 0.832 637 L CB 2.835 44.903 42.059 0.015 0.000 1.403 637 L HN -0.183 nan 8.230 nan 0.000 0.419 638 L N 1.604 122.839 121.223 0.020 0.000 2.277 638 L HA 0.686 5.145 4.340 0.198 0.000 0.284 638 L C 0.512 177.388 176.870 0.009 0.000 1.028 638 L CA 0.695 55.547 54.840 0.021 0.000 0.835 638 L CB 0.242 42.316 42.059 0.025 0.000 1.215 638 L HN 0.782 nan 8.230 nan 0.000 0.425 639 G N 3.868 112.672 108.800 0.007 0.000 2.562 639 G HA2 -0.283 3.796 3.960 0.198 0.000 0.250 639 G HA3 -0.283 3.796 3.960 0.198 0.000 0.250 639 G C -0.162 174.724 174.900 -0.023 0.000 1.269 639 G CA -0.078 45.020 45.100 -0.003 0.000 0.919 639 G HN 0.777 nan 8.290 nan 0.000 0.574 640 N N -0.288 118.396 118.700 -0.027 0.000 2.456 640 N HA 0.550 5.409 4.740 0.198 0.000 0.296 640 N C -1.114 174.356 175.510 -0.066 0.000 1.102 640 N CA -0.566 52.454 53.050 -0.050 0.000 0.924 640 N CB 1.600 40.065 38.487 -0.038 0.000 1.186 640 N HN 0.844 nan 8.380 nan 0.000 0.492 641 L N 2.693 123.850 121.223 -0.109 0.000 2.316 641 L HA 0.432 4.891 4.340 0.198 0.000 0.280 641 L C -0.386 176.393 176.870 -0.152 0.000 1.006 641 L CA -0.460 54.298 54.840 -0.137 0.000 0.836 641 L CB 0.747 42.680 42.059 -0.211 0.000 1.221 641 L HN 0.459 nan 8.230 nan 0.000 0.418 642 K N 6.288 126.623 120.400 -0.109 0.000 2.213 642 K HA 0.563 5.002 4.320 0.198 0.000 0.270 642 K C -1.425 175.124 176.600 -0.085 0.000 1.002 642 K CA -0.497 55.730 56.287 -0.100 0.000 0.868 642 K CB 0.933 33.386 32.500 -0.078 0.000 1.093 642 K HN 0.688 nan 8.250 nan 0.000 0.454 643 I N 3.363 123.884 120.570 -0.081 0.000 2.499 643 I HA 0.141 4.430 4.170 0.198 0.000 0.288 643 I C -0.606 175.498 176.117 -0.021 0.000 1.048 643 I CA -0.910 60.365 61.300 -0.041 0.000 1.062 643 I CB 2.093 40.075 38.000 -0.030 0.000 1.238 643 I HN 0.428 nan 8.210 nan 0.000 0.426 644 D N 6.127 126.522 120.400 -0.009 0.000 2.348 644 D HA 0.226 4.985 4.640 0.198 0.000 0.253 644 D C -0.349 175.974 176.300 0.038 0.000 1.161 644 D CA 0.061 54.059 54.000 -0.004 0.000 0.876 644 D CB 2.251 43.048 40.800 -0.006 0.000 1.160 644 D HN 0.038 nan 8.370 nan 0.000 0.459 645 V N 4.895 124.846 119.914 0.062 0.000 2.427 645 V HA 0.238 4.477 4.120 0.198 0.000 0.286 645 V C -1.920 174.241 176.094 0.112 0.000 1.034 645 V CA -1.657 60.722 62.300 0.132 0.000 0.893 645 V CB 1.615 33.609 31.823 0.285 0.000 0.982 645 V HN 0.375 nan 8.190 nan 0.000 0.452 646 P HA 0.077 nan 4.420 nan 0.000 0.269 646 P C 0.063 177.426 177.300 0.106 0.000 1.217 646 P CA 0.007 63.156 63.100 0.082 0.000 0.783 646 P CB 0.177 31.919 31.700 0.070 0.000 0.898 647 T N 2.216 116.820 114.554 0.083 0.000 2.934 647 T HA 0.094 4.563 4.350 0.198 0.000 0.306 647 T C 0.074 174.840 174.700 0.109 0.000 1.042 647 T CA 0.394 62.550 62.100 0.094 0.000 1.145 647 T CB -0.165 68.741 68.868 0.063 0.000 0.982 647 T HN 0.172 nan 8.240 nan 0.000 0.544 648 L N 4.387 125.698 121.223 0.147 0.000 2.298 648 L HA 0.626 5.085 4.340 0.198 0.000 0.284 648 L C 0.663 177.598 176.870 0.109 0.000 1.013 648 L CA -0.148 54.775 54.840 0.137 0.000 0.824 648 L CB 0.620 42.801 42.059 0.203 0.000 1.221 648 L HN 0.719 nan 8.230 nan 0.000 0.418 649 G N 5.203 114.044 108.800 0.068 0.000 2.716 649 G HA2 0.272 4.351 3.960 0.198 0.000 0.251 649 G HA3 0.272 4.351 3.960 0.198 0.000 0.251 649 G C -2.538 172.388 174.900 0.043 0.000 1.224 649 G CA -0.830 44.300 45.100 0.049 0.000 0.891 649 G HN 0.606 nan 8.290 nan 0.000 0.561 650 P HA 0.062 nan 4.420 nan 0.000 0.266 650 P C -0.133 177.162 177.300 -0.007 0.000 1.195 650 P CA 0.068 63.180 63.100 0.020 0.000 0.768 650 P CB 0.883 32.592 31.700 0.016 0.000 0.838 651 K N -1.259 119.125 120.400 -0.027 0.000 3.281 651 K HA -0.210 4.229 4.320 0.198 0.000 0.308 651 K C 0.300 176.858 176.600 -0.070 0.000 1.218 651 K CA 1.291 57.543 56.287 -0.058 0.000 0.923 651 K CB -1.745 30.729 32.500 -0.044 0.000 1.222 651 K HN 0.655 nan 8.250 nan 0.000 0.440 652 E N 0.393 120.560 120.200 -0.056 0.000 2.312 652 E HA 0.340 4.809 4.350 0.198 0.000 0.259 652 E C 0.251 176.791 176.600 -0.100 0.000 1.122 652 E CA -0.701 55.666 56.400 -0.055 0.000 0.922 652 E CB 1.097 30.788 29.700 -0.016 0.000 1.109 652 E HN 0.118 nan 8.360 nan 0.000 0.442 653 R N 0.282 120.732 120.500 -0.083 0.000 2.711 653 R HA 0.353 4.812 4.340 0.198 0.000 0.284 653 R C -1.251 175.018 176.300 -0.052 0.000 0.968 653 R CA -0.390 55.645 56.100 -0.109 0.000 0.924 653 R CB 1.842 32.081 30.300 -0.102 0.000 1.162 653 R HN 0.405 nan 8.270 nan 0.000 0.465 654 S N 2.363 118.036 115.700 -0.046 0.000 2.519 654 S HA 0.427 5.016 4.470 0.198 0.000 0.309 654 S C -1.123 173.477 174.600 -0.000 0.000 1.100 654 S CA -0.823 57.381 58.200 0.007 0.000 1.059 654 S CB 0.862 64.092 63.200 0.049 0.000 1.008 654 S HN 0.654 nan 8.310 nan 0.000 0.478 655 R N 4.205 124.713 120.500 0.014 0.000 2.409 655 R HA 0.684 5.143 4.340 0.198 0.000 0.313 655 R C -1.867 174.458 176.300 0.042 0.000 0.953 655 R CA -0.471 55.638 56.100 0.014 0.000 0.849 655 R CB 1.171 31.469 30.300 -0.004 0.000 1.171 655 R HN 0.496 nan 8.270 nan 0.000 0.458 656 V N 5.175 125.131 119.914 0.070 0.000 2.495 656 V HA 0.543 4.782 4.120 0.198 0.000 0.298 656 V C -0.079 176.087 176.094 0.119 0.000 1.031 656 V CA -0.822 61.550 62.300 0.119 0.000 0.871 656 V CB 1.806 33.738 31.823 0.181 0.000 0.988 656 V HN 0.740 nan 8.190 nan 0.000 0.432 657 R N 4.013 124.568 120.500 0.092 0.000 2.589 657 R HA 0.781 5.240 4.340 0.198 0.000 0.293 657 R C -1.318 175.053 176.300 0.119 0.000 0.963 657 R CA -0.416 55.683 56.100 -0.002 0.000 0.905 657 R CB 2.198 32.477 30.300 -0.036 0.000 1.144 657 R HN 0.724 nan 8.270 nan 0.000 0.459 658 F N -1.417 118.538 119.950 0.008 0.000 2.641 658 F HA 0.447 5.093 4.527 0.198 0.000 0.308 658 F C -1.295 174.508 175.800 0.005 0.000 1.105 658 F CA -1.419 56.586 58.000 0.008 0.000 0.964 658 F CB 1.297 40.303 39.000 0.010 0.000 1.294 658 F HN 0.199 nan 8.300 nan 0.000 0.442 659 D N 3.106 123.621 120.400 0.192 0.000 2.175 659 D HA 0.634 5.393 4.640 0.198 0.000 0.248 659 D C -0.234 176.179 176.300 0.188 0.000 1.047 659 D CA -0.061 54.000 54.000 0.102 0.000 0.883 659 D CB 2.065 42.900 40.800 0.059 0.000 1.180 659 D HN 0.812 nan 8.370 nan 0.000 0.438 660 I N -1.630 119.018 120.570 0.129 0.000 2.785 660 I HA 0.610 4.899 4.170 0.198 0.000 0.302 660 I C -1.487 174.672 176.117 0.070 0.000 1.069 660 I CA -1.213 60.166 61.300 0.132 0.000 1.045 660 I CB 2.055 40.154 38.000 0.165 0.000 1.236 660 I HN 0.046 nan 8.210 nan 0.000 0.429 661 L N 6.331 127.589 121.223 0.059 0.000 2.353 661 L HA 0.673 5.132 4.340 0.198 0.000 0.270 661 L C -2.544 174.347 176.870 0.035 0.000 1.003 661 L CA -1.898 52.966 54.840 0.040 0.000 0.862 661 L CB 0.999 43.080 42.059 0.036 0.000 1.221 661 L HN 0.445 nan 8.230 nan 0.000 0.430 662 P HA 0.184 nan 4.420 nan 0.000 0.267 662 P C -0.097 177.216 177.300 0.023 0.000 1.200 662 P CA 0.200 63.316 63.100 0.026 0.000 0.772 662 P CB 0.846 32.558 31.700 0.019 0.000 0.855 663 S N 1.774 117.487 115.700 0.023 0.000 2.670 663 S HA 0.176 4.765 4.470 0.198 0.000 0.241 663 S C 0.599 175.207 174.600 0.012 0.000 1.077 663 S CA -0.214 57.999 58.200 0.020 0.000 0.899 663 S CB 0.332 63.548 63.200 0.026 0.000 0.835 663 S HN 0.364 nan 8.310 nan 0.000 0.481 664 R N 1.823 122.329 120.500 0.010 0.000 2.740 664 R HA 0.608 5.067 4.340 0.198 0.000 0.282 664 R C -0.633 175.668 176.300 0.002 0.000 0.969 664 R CA -0.184 55.915 56.100 -0.001 0.000 0.918 664 R CB 1.931 32.222 30.300 -0.014 0.000 1.175 664 R HN 0.404 nan 8.270 nan 0.000 0.464 665 S N 1.316 117.015 115.700 -0.001 0.000 2.693 665 S HA 0.888 5.477 4.470 0.198 0.000 0.276 665 S C 0.375 174.976 174.600 0.002 0.000 1.192 665 S CA 0.158 58.359 58.200 0.002 0.000 0.994 665 S CB 1.647 64.849 63.200 0.003 0.000 1.012 665 S HN 1.104 nan 8.310 nan 0.000 0.550 666 G N 0.351 109.154 108.800 0.005 0.000 2.422 666 G HA2 0.160 4.239 3.960 0.198 0.000 0.607 666 G HA3 0.160 4.239 3.960 0.198 0.000 0.607 666 G C -0.339 174.565 174.900 0.008 0.000 1.270 666 G CA -0.458 44.646 45.100 0.007 0.000 0.992 666 G HN 1.755 nan 8.290 nan 0.000 0.499 667 T N 0.009 114.568 114.554 0.009 0.000 2.737 667 T HA 0.637 5.106 4.350 0.198 0.000 0.296 667 T C -0.071 174.636 174.700 0.011 0.000 0.922 667 T CA -0.297 61.807 62.100 0.007 0.000 1.079 667 T CB 1.373 70.245 68.868 0.005 0.000 0.892 667 T HN 0.620 nan 8.240 nan 0.000 0.514 668 K N 2.627 123.032 120.400 0.010 0.000 2.238 668 K HA 0.424 4.863 4.320 0.198 0.000 0.239 668 K C -0.468 176.134 176.600 0.004 0.000 0.987 668 K CA -0.866 55.429 56.287 0.013 0.000 0.857 668 K CB 1.867 34.377 32.500 0.017 0.000 1.154 668 K HN 0.779 nan 8.250 nan 0.000 0.439 669 Q N 1.834 121.633 119.800 -0.003 0.000 2.357 669 Q HA 0.295 4.754 4.340 0.198 0.000 0.266 669 Q C -1.370 174.619 176.000 -0.017 0.000 1.021 669 Q CA -0.845 54.947 55.803 -0.018 0.000 0.784 669 Q CB 1.074 29.788 28.738 -0.041 0.000 1.243 669 Q HN 0.400 nan 8.270 nan 0.000 0.465 670 L N 5.734 126.956 121.223 -0.002 0.000 2.260 670 L HA 0.443 4.902 4.340 0.198 0.000 0.289 670 L C -1.570 175.299 176.870 -0.002 0.000 1.057 670 L CA 0.053 54.902 54.840 0.014 0.000 0.811 670 L CB 0.734 42.826 42.059 0.055 0.000 1.184 670 L HN 0.647 nan 8.230 nan 0.000 0.429 671 L N 5.257 126.465 121.223 -0.026 0.000 2.334 671 L HA 0.908 5.367 4.340 0.198 0.000 0.276 671 L C -0.216 176.634 176.870 -0.034 0.000 1.014 671 L CA -0.622 54.194 54.840 -0.041 0.000 0.815 671 L CB 1.763 43.771 42.059 -0.084 0.000 1.268 671 L HN 0.774 nan 8.230 nan 0.000 0.428 672 A N 1.733 124.541 122.820 -0.019 0.000 2.498 672 A HA 0.659 5.098 4.320 0.198 0.000 0.298 672 A C -1.751 175.826 177.584 -0.012 0.000 1.075 672 A CA -0.515 51.513 52.037 -0.015 0.000 0.714 672 A CB 2.035 21.052 19.000 0.030 0.000 1.299 672 A HN 0.716 nan 8.150 nan 0.000 0.407 673 D N 0.705 121.095 120.400 -0.017 0.000 2.896 673 D HA 0.502 5.261 4.640 0.198 0.000 0.241 673 D C -2.055 174.250 176.300 0.007 0.000 1.188 673 D CA -0.087 53.903 54.000 -0.018 0.000 0.879 673 D CB 1.517 42.280 40.800 -0.063 0.000 1.553 673 D HN 0.289 nan 8.370 nan 0.000 0.515 674 F N 2.409 122.272 119.950 -0.146 0.000 2.449 674 F HA 0.445 5.090 4.527 0.197 0.000 0.342 674 F C -1.013 174.684 175.800 -0.171 0.000 1.127 674 F CA -0.318 57.565 58.000 -0.194 0.000 0.975 674 F CB 1.638 40.436 39.000 -0.338 0.000 1.146 674 F HN 0.073 nan 8.300 nan 0.000 0.444 675 S N 4.916 120.164 115.700 -0.753 0.000 2.532 675 S HA 0.737 5.325 4.470 0.198 0.000 0.299 675 S C -1.160 173.092 174.600 -0.579 0.000 1.105 675 S CA -0.624 57.289 58.200 -0.478 0.000 1.018 675 S CB 1.060 64.093 63.200 -0.279 0.000 1.021 675 S HN 0.859 nan 8.310 nan 0.000 0.483 676 C N 2.408 121.533 119.300 -0.292 0.000 3.173 676 C HA 0.580 5.159 4.460 0.198 0.000 0.310 676 C C 1.543 176.495 174.990 -0.064 0.000 1.306 676 C CA -1.031 57.888 59.018 -0.166 0.000 1.426 676 C CB 0.885 28.614 27.740 -0.019 0.000 1.800 676 C HN 0.920 nan 8.230 nan 0.000 0.470 677 N N 1.664 120.329 118.700 -0.059 0.000 2.132 677 N HA -0.256 4.603 4.740 0.198 0.000 0.191 677 N C 0.961 176.414 175.510 -0.094 0.000 1.015 677 N CA 2.025 55.038 53.050 -0.063 0.000 0.864 677 N CB -0.336 38.118 38.487 -0.055 0.000 1.006 677 N HN 0.768 nan 8.380 nan 0.000 0.430 678 K N -0.497 119.813 120.400 -0.150 0.000 2.314 678 K HA 0.257 4.696 4.320 0.198 0.000 0.198 678 K C -0.300 175.963 176.600 -0.561 0.000 1.045 678 K CA 0.289 56.349 56.287 -0.377 0.000 0.988 678 K CB 0.110 32.296 32.500 -0.522 0.000 0.783 678 K HN 0.249 nan 8.250 nan 0.000 0.484 679 F N 1.941 121.949 119.950 0.096 0.000 2.691 679 F HA 0.290 4.935 4.527 0.198 0.000 0.371 679 F C -2.308 173.501 175.800 0.015 0.000 1.159 679 F CA -2.359 55.696 58.000 0.092 0.000 1.174 679 F CB 1.644 40.726 39.000 0.137 0.000 1.419 679 F HN -0.175 nan 8.300 nan 0.000 0.514 680 P HA 0.189 nan 4.420 nan 0.000 0.275 680 P C -0.088 177.262 177.300 0.083 0.000 1.227 680 P CA 0.109 63.255 63.100 0.078 0.000 0.781 680 P CB 1.650 33.402 31.700 0.087 0.000 0.906 681 A N 3.215 126.042 122.820 0.011 0.000 2.136 681 A HA -0.175 4.264 4.320 0.198 0.000 0.274 681 A C 0.092 177.694 177.584 0.031 0.000 1.388 681 A CA 0.401 52.444 52.037 0.009 0.000 0.741 681 A CB -2.397 16.620 19.000 0.030 0.000 1.173 681 A HN 0.466 nan 8.150 nan 0.000 0.329 682 I N 2.675 123.255 120.570 0.018 0.000 2.336 682 I HA 0.291 4.580 4.170 0.198 0.000 0.292 682 I C 0.433 176.552 176.117 0.004 0.000 0.991 682 I CA -0.768 60.538 61.300 0.010 0.000 1.227 682 I CB 1.265 39.245 38.000 -0.033 0.000 1.366 682 I HN 0.339 nan 8.210 nan 0.000 0.466 683 K N 5.158 125.555 120.400 -0.004 0.000 2.095 683 K HA 0.877 5.316 4.320 0.198 0.000 0.252 683 K C -0.636 175.959 176.600 -0.009 0.000 0.977 683 K CA -0.725 55.557 56.287 -0.008 0.000 0.900 683 K CB 1.954 34.442 32.500 -0.019 0.000 1.060 683 K HN 0.666 nan 8.250 nan 0.000 0.449 684 A N 1.362 124.178 122.820 -0.007 0.000 2.574 684 A HA 0.757 5.196 4.320 0.198 0.000 0.297 684 A C -1.337 176.242 177.584 -0.008 0.000 1.062 684 A CA -0.770 51.266 52.037 -0.003 0.000 0.686 684 A CB 1.665 20.674 19.000 0.016 0.000 1.285 684 A HN 0.767 nan 8.150 nan 0.000 0.403 685 M N 2.158 121.750 119.600 -0.012 0.000 2.421 685 M HA 0.780 5.379 4.480 0.198 0.000 0.287 685 M C -2.592 173.700 176.300 -0.012 0.000 1.183 685 M CA -0.850 54.439 55.300 -0.018 0.000 0.916 685 M CB 1.990 34.568 32.600 -0.038 0.000 1.701 685 M HN 0.922 nan 8.290 nan 0.000 0.470 686 L N 3.376 124.595 121.223 -0.007 0.000 2.516 686 L HA 0.535 4.994 4.340 0.198 0.000 0.267 686 L C -1.320 175.546 176.870 -0.006 0.000 0.957 686 L CA 0.122 54.959 54.840 -0.005 0.000 0.860 686 L CB 2.266 44.328 42.059 0.006 0.000 1.265 686 L HN 0.799 nan 8.230 nan 0.000 0.403 687 S N 5.816 121.509 115.700 -0.011 0.000 2.505 687 S HA 0.653 5.242 4.470 0.198 0.000 0.276 687 S C -0.281 174.315 174.600 -0.006 0.000 1.274 687 S CA -0.306 57.888 58.200 -0.009 0.000 1.053 687 S CB -0.108 63.085 63.200 -0.012 0.000 0.919 687 S HN 0.522 nan 8.310 nan 0.000 0.490 688 I N 4.039 124.608 120.570 -0.001 0.000 2.436 688 I HA 0.315 4.604 4.170 0.198 0.000 0.289 688 I C -0.639 175.478 176.117 0.001 0.000 1.010 688 I CA -0.840 60.460 61.300 -0.001 0.000 1.098 688 I CB 1.947 39.949 38.000 0.004 0.000 1.266 688 I HN 0.503 nan 8.210 nan 0.000 0.434 689 D N 6.298 126.697 120.400 -0.002 0.000 2.347 689 D HA 0.215 4.974 4.640 0.198 0.000 0.235 689 D C -0.425 175.876 176.300 0.001 0.000 1.149 689 D CA -0.037 53.963 54.000 -0.000 0.000 0.850 689 D CB 2.157 42.956 40.800 -0.002 0.000 1.061 689 D HN 0.047 nan 8.370 nan 0.000 0.487 690 V N 2.676 122.592 119.914 0.004 0.000 2.364 690 V HA 0.381 4.620 4.120 0.198 0.000 0.272 690 V C 0.755 176.852 176.094 0.004 0.000 1.036 690 V CA -0.841 61.462 62.300 0.004 0.000 0.880 690 V CB 1.034 32.861 31.823 0.008 0.000 0.991 690 V HN 0.596 nan 8.190 nan 0.000 0.460 691 A N 4.107 126.928 122.820 0.003 0.000 2.386 691 A HA 0.466 4.905 4.320 0.198 0.000 0.248 691 A C 0.342 177.929 177.584 0.004 0.000 1.082 691 A CA -0.130 51.909 52.037 0.003 0.000 0.789 691 A CB 0.367 19.368 19.000 0.002 0.000 1.025 691 A HN 0.857 nan 8.150 nan 0.000 0.490 692 E N 0.000 120.203 120.200 0.005 0.000 2.725 692 E HA 0.000 4.469 4.350 0.198 0.000 0.291 692 E CA 0.000 56.403 56.400 0.006 0.000 0.976 692 E CB 0.000 29.704 29.700 0.006 0.000 0.812 692 E HN 0.000 nan 8.360 nan 0.000 0.440