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 1nug_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 18.993 19.000 -0.012 0.000 0.831 2 A N 0.411 123.221 122.820 -0.016 0.000 2.340 2 A HA 0.599 4.922 4.320 0.005 0.000 0.268 2 A C 0.164 177.735 177.584 -0.022 0.000 1.100 2 A CA -0.270 51.756 52.037 -0.019 0.000 0.803 2 A CB 0.150 19.134 19.000 -0.027 0.000 1.043 2 A HN 2.087 nan 8.150 nan 0.000 0.488 3 L N 1.937 123.148 121.223 -0.020 0.000 2.513 3 L HA 0.504 4.847 4.340 0.005 0.000 0.272 3 L C 0.484 177.331 176.870 -0.037 0.000 1.187 3 L CA 1.353 56.179 54.840 -0.023 0.000 0.895 3 L CB 0.070 42.120 42.059 -0.016 0.000 1.147 3 L HN 0.851 nan 8.230 nan 0.000 0.483 4 G N 3.949 112.726 108.800 -0.038 0.000 2.720 4 G HA2 0.540 4.503 3.960 0.005 0.000 0.295 4 G HA3 0.540 4.503 3.960 0.005 0.000 0.295 4 G C -1.648 173.225 174.900 -0.044 0.000 1.437 4 G CA -0.679 44.393 45.100 -0.047 0.000 0.886 4 G HN 0.528 nan 8.290 nan 0.000 0.509 5 V N 0.977 120.860 119.914 -0.052 0.000 2.583 5 V HA 0.226 4.348 4.120 0.005 0.000 0.287 5 V C 1.040 177.115 176.094 -0.032 0.000 1.051 5 V CA 0.125 62.396 62.300 -0.048 0.000 1.010 5 V CB 1.449 33.237 31.823 -0.058 0.000 0.988 5 V HN 0.921 nan 8.190 nan 0.000 0.478 6 Q N 1.874 121.658 119.800 -0.027 0.000 2.394 6 Q HA 0.190 4.532 4.340 0.005 0.000 0.218 6 Q C 0.474 176.468 176.000 -0.010 0.000 0.907 6 Q CA 0.790 56.583 55.803 -0.017 0.000 0.919 6 Q CB 0.992 29.721 28.738 -0.016 0.000 1.051 6 Q HN 0.999 nan 8.270 nan 0.000 0.538 7 S N -1.206 114.481 115.700 -0.021 0.000 2.611 7 S HA 0.466 4.939 4.470 0.005 0.000 0.270 7 S C -1.481 173.083 174.600 -0.061 0.000 1.131 7 S CA -1.010 57.180 58.200 -0.017 0.000 0.826 7 S CB 1.025 64.223 63.200 -0.003 0.000 1.095 7 S HN 0.211 nan 8.310 nan 0.000 0.461 8 I N 1.504 122.022 120.570 -0.088 0.000 2.582 8 I HA 0.559 4.732 4.170 0.005 0.000 0.292 8 I C -1.598 174.372 176.117 -0.246 0.000 1.066 8 I CA -0.588 60.567 61.300 -0.243 0.000 1.053 8 I CB 1.926 39.651 38.000 -0.459 0.000 1.241 8 I HN 0.823 nan 8.210 nan 0.000 0.421 9 N N 6.459 125.020 118.700 -0.231 0.000 2.501 9 N HA 0.203 4.946 4.740 0.005 0.000 0.245 9 N C -0.327 175.116 175.510 -0.112 0.000 0.974 9 N CA -0.368 52.627 53.050 -0.091 0.000 0.941 9 N CB 0.682 39.147 38.487 -0.037 0.000 1.122 9 N HN 0.661 nan 8.380 nan 0.000 0.507 10 W N 1.869 123.220 121.300 0.084 0.000 2.937 10 W HA 0.120 4.784 4.660 0.006 0.000 0.245 10 W C 0.758 177.343 176.519 0.109 0.000 1.306 10 W CA -0.170 57.239 57.345 0.106 0.000 1.470 10 W CB -0.107 29.410 29.460 0.096 0.000 1.132 10 W HN 0.518 nan 8.180 nan 0.000 0.675 11 Q N -0.296 119.658 119.800 0.258 0.000 2.416 11 Q HA -0.277 4.066 4.340 0.005 0.000 0.319 11 Q C 1.036 177.190 176.000 0.257 0.000 1.318 11 Q CA 0.842 56.777 55.803 0.220 0.000 0.915 11 Q CB -2.081 26.769 28.738 0.187 0.000 1.184 11 Q HN 0.280 nan 8.270 nan 0.000 0.444 12 T N -0.282 114.404 114.554 0.221 0.000 2.624 12 T HA -0.294 4.059 4.350 0.005 0.000 0.268 12 T C 1.842 176.594 174.700 0.087 0.000 1.041 12 T CA 1.841 64.020 62.100 0.131 0.000 1.159 12 T CB -0.207 68.719 68.868 0.097 0.000 0.863 12 T HN 0.690 nan 8.240 nan 0.000 0.434 13 A N 1.070 123.954 122.820 0.108 0.000 1.865 13 A HA -0.069 4.254 4.320 0.005 0.000 0.217 13 A C 2.070 179.705 177.584 0.085 0.000 1.191 13 A CA 1.864 53.951 52.037 0.083 0.000 0.623 13 A CB -1.106 17.950 19.000 0.093 0.000 0.826 13 A HN 0.519 nan 8.150 nan 0.000 0.444 14 F N 1.390 121.347 119.950 0.013 0.000 2.069 14 F HA -0.225 4.306 4.527 0.006 0.000 0.298 14 F C 2.143 177.939 175.800 -0.006 0.000 1.113 14 F CA 2.207 60.211 58.000 0.007 0.000 1.214 14 F CB -0.264 38.748 39.000 0.021 0.000 0.978 14 F HN 0.207 nan 8.300 nan 0.000 0.474 15 N N 0.735 119.401 118.700 -0.056 0.000 2.120 15 N HA -0.148 4.595 4.740 0.005 0.000 0.188 15 N C 1.956 177.276 175.510 -0.317 0.000 1.024 15 N CA 1.484 54.393 53.050 -0.236 0.000 0.852 15 N CB -0.479 37.955 38.487 -0.087 0.000 1.003 15 N HN 0.400 nan 8.380 nan 0.000 0.424 16 R N 0.912 121.288 120.500 -0.206 0.000 2.120 16 R HA -0.084 4.259 4.340 0.005 0.000 0.234 16 R C 2.207 178.400 176.300 -0.178 0.000 1.123 16 R CA 0.804 56.808 56.100 -0.159 0.000 0.975 16 R CB -0.157 30.103 30.300 -0.066 0.000 0.866 16 R HN 0.329 nan 8.270 nan 0.000 0.446 17 Q N 1.007 120.681 119.800 -0.209 0.000 2.050 17 Q HA -0.123 4.220 4.340 0.005 0.000 0.202 17 Q C 1.947 177.709 176.000 -0.397 0.000 0.980 17 Q CA 1.999 57.662 55.803 -0.234 0.000 0.840 17 Q CB -0.102 28.525 28.738 -0.185 0.000 0.898 17 Q HN 0.324 nan 8.270 nan 0.000 0.424 18 A N 0.334 122.875 122.820 -0.464 0.000 1.972 18 A HA -0.154 4.169 4.320 0.005 0.000 0.219 18 A C 1.543 178.764 177.584 -0.605 0.000 1.169 18 A CA 1.263 53.003 52.037 -0.496 0.000 0.635 18 A CB -0.741 17.984 19.000 -0.458 0.000 0.810 18 A HN 0.568 nan 8.150 nan 0.000 0.446 19 H N -1.538 117.160 119.070 -0.620 0.000 2.524 19 H HA 0.063 4.621 4.556 0.004 0.000 0.280 19 H C -0.464 174.508 175.328 -0.594 0.000 1.018 19 H CA 0.067 55.793 56.048 -0.538 0.000 1.165 19 H CB 0.036 29.633 29.762 -0.275 0.000 1.411 19 H HN 0.652 nan 8.280 nan 0.000 0.569 20 H N 0.505 119.373 119.070 -0.336 0.000 2.677 20 H HA -0.121 4.438 4.556 0.005 0.000 0.321 20 H C 0.665 175.921 175.328 -0.120 0.000 1.171 20 H CA 1.191 57.001 56.048 -0.396 0.000 1.139 20 H CB -2.238 26.869 29.762 -1.093 0.000 1.515 20 H HN 0.549 nan 8.280 nan 0.000 0.423 21 T N -3.615 110.978 114.554 0.067 0.000 3.209 21 T HA 0.016 4.369 4.350 0.005 0.000 0.295 21 T C 1.143 176.005 174.700 0.271 0.000 0.977 21 T CA 0.138 62.433 62.100 0.325 0.000 0.922 21 T CB 0.474 69.500 68.868 0.264 0.000 1.152 21 T HN 0.422 nan 8.240 nan 0.000 0.527 22 D N 1.640 122.072 120.400 0.054 0.000 2.348 22 D HA -0.068 4.575 4.640 0.005 0.000 0.216 22 D C 1.505 177.766 176.300 -0.064 0.000 0.970 22 D CA 0.249 54.253 54.000 0.006 0.000 0.889 22 D CB 0.066 40.840 40.800 -0.045 0.000 0.912 22 D HN 0.318 nan 8.370 nan 0.000 0.524 23 K N 0.028 120.274 120.400 -0.256 0.000 2.296 23 K HA 0.026 4.349 4.320 0.005 0.000 0.200 23 K C 0.371 176.756 176.600 -0.359 0.000 1.048 23 K CA -0.020 55.912 56.287 -0.592 0.000 0.966 23 K CB -0.082 31.517 32.500 -1.502 0.000 0.754 23 K HN 0.171 nan 8.250 nan 0.000 0.466 24 F N 1.652 121.658 119.950 0.093 0.000 2.578 24 F HA -0.041 4.486 4.527 0.001 0.000 0.381 24 F C 1.301 177.180 175.800 0.132 0.000 1.069 24 F CA 0.002 58.155 58.000 0.256 0.000 1.231 24 F CB 0.542 39.683 39.000 0.236 0.000 1.086 24 F HN -0.195 nan 8.300 nan 0.000 0.564 25 S N 3.345 119.235 115.700 0.316 0.000 3.530 25 S HA 0.333 4.806 4.470 0.005 0.000 0.279 25 S C -0.247 174.460 174.600 0.179 0.000 1.280 25 S CA -0.089 58.225 58.200 0.190 0.000 0.946 25 S CB -0.548 62.747 63.200 0.159 0.000 1.501 25 S HN 0.653 nan 8.310 nan 0.000 0.498 26 S N 3.023 118.818 115.700 0.157 0.000 2.552 26 S HA 0.366 4.839 4.470 0.005 0.000 0.272 26 S C -0.180 174.464 174.600 0.073 0.000 1.150 26 S CA -0.628 57.635 58.200 0.106 0.000 0.849 26 S CB 1.335 64.597 63.200 0.103 0.000 1.113 26 S HN 0.635 nan 8.310 nan 0.000 0.458 27 Q N 0.829 120.654 119.800 0.041 0.000 2.282 27 Q HA 0.236 4.579 4.340 0.005 0.000 0.206 27 Q C -0.126 175.874 176.000 -0.000 0.000 0.878 27 Q CA 0.024 55.843 55.803 0.027 0.000 0.944 27 Q CB 0.519 29.272 28.738 0.026 0.000 1.100 27 Q HN 0.640 nan 8.270 nan 0.000 0.509 28 E N 0.891 121.081 120.200 -0.017 0.000 2.391 28 E HA 0.127 4.480 4.350 0.005 0.000 0.255 28 E C -0.751 175.802 176.600 -0.078 0.000 1.187 28 E CA -0.431 55.933 56.400 -0.061 0.000 0.941 28 E CB 0.758 30.417 29.700 -0.068 0.000 1.010 28 E HN -0.048 nan 8.360 nan 0.000 0.458 29 L N 2.747 123.888 121.223 -0.135 0.000 2.295 29 L HA 0.276 4.619 4.340 0.005 0.000 0.288 29 L C -1.059 175.730 176.870 -0.134 0.000 1.079 29 L CA 0.457 55.201 54.840 -0.161 0.000 0.830 29 L CB -0.069 41.821 42.059 -0.281 0.000 1.200 29 L HN 0.340 nan 8.230 nan 0.000 0.438 30 I N 6.623 127.114 120.570 -0.133 0.000 2.362 30 I HA 0.393 4.566 4.170 0.005 0.000 0.289 30 I C -0.391 175.632 176.117 -0.157 0.000 0.994 30 I CA -0.378 60.848 61.300 -0.123 0.000 1.158 30 I CB 1.123 39.048 38.000 -0.124 0.000 1.315 30 I HN 0.530 nan 8.210 nan 0.000 0.451 31 L N 5.973 127.109 121.223 -0.144 0.000 2.257 31 L HA 0.680 5.023 4.340 0.005 0.000 0.257 31 L C -0.371 176.539 176.870 0.067 0.000 1.033 31 L CA -0.996 53.758 54.840 -0.144 0.000 0.835 31 L CB 1.953 43.722 42.059 -0.484 0.000 1.398 31 L HN 0.482 nan 8.230 nan 0.000 0.429 32 R N 0.244 120.880 120.500 0.228 0.000 2.686 32 R HA 0.448 4.791 4.340 0.005 0.000 0.286 32 R C -0.961 175.384 176.300 0.075 0.000 0.969 32 R CA -0.973 55.215 56.100 0.146 0.000 0.898 32 R CB 2.356 32.757 30.300 0.167 0.000 1.183 32 R HN 0.583 nan 8.270 nan 0.000 0.456 33 R N 0.460 120.983 120.500 0.038 0.000 2.784 33 R HA 0.183 4.526 4.340 0.005 0.000 0.266 33 R C 0.518 176.791 176.300 -0.045 0.000 1.044 33 R CA 0.643 56.718 56.100 -0.042 0.000 1.151 33 R CB 0.099 30.385 30.300 -0.024 0.000 1.037 33 R HN 0.791 nan 8.270 nan 0.000 0.478 34 G N -0.004 108.715 108.800 -0.135 0.000 2.189 34 G HA2 -0.376 3.587 3.960 0.005 0.000 0.267 34 G HA3 -0.376 3.587 3.960 0.005 0.000 0.267 34 G C -0.027 174.812 174.900 -0.102 0.000 0.975 34 G CA 0.855 45.883 45.100 -0.119 0.000 0.644 34 G HN 0.781 nan 8.290 nan 0.000 0.537 35 Q N 0.257 119.998 119.800 -0.098 0.000 2.353 35 Q HA 0.518 4.861 4.340 0.005 0.000 0.268 35 Q C -0.051 175.975 176.000 0.044 0.000 1.045 35 Q CA -0.727 55.001 55.803 -0.125 0.000 0.811 35 Q CB 0.932 29.437 28.738 -0.387 0.000 1.305 35 Q HN 0.475 nan 8.270 nan 0.000 0.447 36 N N 1.692 120.423 118.700 0.053 0.000 2.495 36 N HA 0.529 5.272 4.740 0.005 0.000 0.280 36 N C -1.118 174.614 175.510 0.370 0.000 1.168 36 N CA -0.318 52.808 53.050 0.128 0.000 0.978 36 N CB 0.677 39.126 38.487 -0.062 0.000 1.191 36 N HN 0.403 nan 8.380 nan 0.000 0.497 37 F N -2.946 117.055 119.950 0.085 0.000 2.588 37 F HA 0.527 5.058 4.527 0.006 0.000 0.314 37 F C -0.408 175.430 175.800 0.064 0.000 1.069 37 F CA -1.224 56.820 58.000 0.074 0.000 0.931 37 F CB 1.405 40.329 39.000 -0.127 0.000 1.260 37 F HN 0.539 nan 8.300 nan 0.000 0.465 38 Q N 2.291 122.219 119.800 0.213 0.000 2.282 38 Q HA 0.729 5.072 4.340 0.005 0.000 0.260 38 Q C -1.393 174.664 176.000 0.095 0.000 0.964 38 Q CA -0.971 54.874 55.803 0.070 0.000 0.880 38 Q CB 2.282 31.076 28.738 0.094 0.000 1.286 38 Q HN 0.905 nan 8.270 nan 0.000 0.445 39 V N 1.340 121.236 119.914 -0.030 0.000 2.962 39 V HA 0.656 4.779 4.120 0.005 0.000 0.313 39 V C -1.110 174.919 176.094 -0.108 0.000 1.099 39 V CA -1.027 61.234 62.300 -0.065 0.000 0.971 39 V CB 1.888 33.606 31.823 -0.175 0.000 1.028 39 V HN 0.750 nan 8.190 nan 0.000 0.430 40 L N 3.601 124.747 121.223 -0.128 0.000 2.305 40 L HA 0.627 4.970 4.340 0.005 0.000 0.284 40 L C -0.318 176.475 176.870 -0.129 0.000 1.013 40 L CA -0.363 54.413 54.840 -0.106 0.000 0.819 40 L CB 1.778 43.787 42.059 -0.082 0.000 1.227 40 L HN 0.594 nan 8.230 nan 0.000 0.417 41 M N 4.773 124.318 119.600 -0.093 0.000 2.114 41 M HA 0.473 4.956 4.480 0.005 0.000 0.332 41 M C -0.710 175.555 176.300 -0.058 0.000 1.014 41 M CA -0.451 54.797 55.300 -0.087 0.000 0.956 41 M CB 1.946 34.513 32.600 -0.056 0.000 1.551 41 M HN 0.456 nan 8.290 nan 0.000 0.427 42 I N 5.171 125.707 120.570 -0.057 0.000 2.301 42 I HA 0.213 4.386 4.170 0.005 0.000 0.292 42 I C -0.030 176.065 176.117 -0.036 0.000 1.046 42 I CA -0.409 60.867 61.300 -0.039 0.000 1.282 42 I CB 0.616 38.597 38.000 -0.033 0.000 1.409 42 I HN 0.550 nan 8.210 nan 0.000 0.484 43 M N 4.789 124.371 119.600 -0.030 0.000 2.371 43 M HA 0.204 4.687 4.480 0.005 0.000 0.301 43 M C 1.206 177.492 176.300 -0.023 0.000 1.173 43 M CA -0.455 54.828 55.300 -0.029 0.000 1.020 43 M CB 0.428 33.012 32.600 -0.027 0.000 1.490 43 M HN 0.513 nan 8.290 nan 0.000 0.485 44 N N 0.618 119.305 118.700 -0.022 0.000 2.409 44 N HA -0.084 4.659 4.740 0.005 0.000 0.179 44 N C -0.038 175.463 175.510 -0.015 0.000 1.032 44 N CA 0.901 53.941 53.050 -0.018 0.000 0.898 44 N CB -0.068 38.408 38.487 -0.018 0.000 0.971 44 N HN 0.708 nan 8.380 nan 0.000 0.441 45 K N -2.409 117.982 120.400 -0.015 0.000 2.305 45 K HA 0.637 4.960 4.320 0.005 0.000 0.268 45 K C -0.124 176.470 176.600 -0.011 0.000 1.034 45 K CA -1.017 55.264 56.287 -0.011 0.000 0.879 45 K CB 0.345 32.839 32.500 -0.010 0.000 1.506 45 K HN -0.105 nan 8.250 nan 0.000 0.425 46 G N 0.579 109.374 108.800 -0.008 0.000 2.539 46 G HA2 0.295 4.258 3.960 0.005 0.000 0.258 46 G HA3 0.295 4.258 3.960 0.005 0.000 0.258 46 G C -0.681 174.217 174.900 -0.004 0.000 1.202 46 G CA -0.922 44.175 45.100 -0.006 0.000 0.851 46 G HN 0.465 nan 8.290 nan 0.000 0.556 47 L N 2.222 123.444 121.223 -0.001 0.000 2.407 47 L HA 0.330 4.673 4.340 0.005 0.000 0.282 47 L C 1.227 178.100 176.870 0.005 0.000 1.110 47 L CA -0.520 54.322 54.840 0.003 0.000 0.863 47 L CB -0.324 41.739 42.059 0.007 0.000 1.207 47 L HN 0.598 nan 8.230 nan 0.000 0.454 48 G N 1.889 110.692 108.800 0.006 0.000 2.594 48 G HA2 0.017 3.980 3.960 0.005 0.000 0.243 48 G HA3 0.017 3.980 3.960 0.005 0.000 0.243 48 G C 0.867 175.772 174.900 0.008 0.000 1.229 48 G CA 0.152 45.256 45.100 0.007 0.000 0.843 48 G HN 0.722 nan 8.290 nan 0.000 0.578 49 S N 0.388 116.091 115.700 0.006 0.000 2.383 49 S HA -0.173 4.300 4.470 0.005 0.000 0.227 49 S C 1.940 176.543 174.600 0.004 0.000 1.026 49 S CA 1.662 59.865 58.200 0.004 0.000 0.981 49 S CB -0.234 62.968 63.200 0.002 0.000 0.818 49 S HN 0.637 nan 8.310 nan 0.000 0.472 50 N N 0.916 119.620 118.700 0.007 0.000 2.322 50 N HA 0.131 4.874 4.740 0.005 0.000 0.194 50 N C -0.297 175.224 175.510 0.017 0.000 1.126 50 N CA -0.005 53.050 53.050 0.007 0.000 0.845 50 N CB 0.265 38.757 38.487 0.009 0.000 0.976 50 N HN 0.541 nan 8.380 nan 0.000 0.475 51 E N -0.092 120.121 120.200 0.023 0.000 2.227 51 E HA 0.373 4.726 4.350 0.005 0.000 0.268 51 E C -0.500 176.125 176.600 0.041 0.000 0.990 51 E CA -0.768 55.660 56.400 0.046 0.000 0.856 51 E CB 2.005 31.729 29.700 0.039 0.000 1.159 51 E HN 0.046 nan 8.360 nan 0.000 0.401 52 R N 1.693 122.245 120.500 0.088 0.000 2.698 52 R HA 0.446 4.789 4.340 0.005 0.000 0.275 52 R C -1.744 174.643 176.300 0.145 0.000 1.001 52 R CA -0.562 55.579 56.100 0.069 0.000 0.896 52 R CB 1.108 31.370 30.300 -0.063 0.000 1.218 52 R HN 0.469 nan 8.270 nan 0.000 0.462 53 L N 2.871 124.136 121.223 0.070 0.000 2.341 53 L HA 0.547 4.890 4.340 0.005 0.000 0.278 53 L C -0.453 176.397 176.870 -0.034 0.000 1.005 53 L CA -0.747 54.083 54.840 -0.017 0.000 0.818 53 L CB 2.122 44.119 42.059 -0.104 0.000 1.259 53 L HN 0.560 nan 8.230 nan 0.000 0.418 54 E N 2.732 122.866 120.200 -0.110 0.000 2.224 54 E HA 0.421 4.774 4.350 0.005 0.000 0.265 54 E C -1.418 174.964 176.600 -0.362 0.000 0.878 54 E CA -0.612 55.724 56.400 -0.107 0.000 0.759 54 E CB 2.566 32.309 29.700 0.072 0.000 1.164 54 E HN 0.234 nan 8.360 nan 0.000 0.414 55 F N 2.238 121.892 119.950 -0.493 0.000 2.375 55 F HA 0.414 4.944 4.527 0.005 0.000 0.333 55 F C 0.581 175.992 175.800 -0.649 0.000 1.104 55 F CA -0.361 57.232 58.000 -0.678 0.000 1.149 55 F CB 0.720 39.018 39.000 -1.170 0.000 1.190 55 F HN 0.259 nan 8.300 nan 0.000 0.533 56 I N 3.556 124.034 120.570 -0.154 0.000 2.497 56 I HA 0.346 4.519 4.170 0.005 0.000 0.284 56 I C -1.143 175.007 176.117 0.055 0.000 1.060 56 I CA -0.930 60.337 61.300 -0.055 0.000 1.071 56 I CB 1.653 39.631 38.000 -0.037 0.000 1.216 56 I HN 0.316 nan 8.210 nan 0.000 0.442 57 V N 2.822 122.765 119.914 0.049 0.000 2.581 57 V HA 0.962 5.085 4.120 0.005 0.000 0.303 57 V C -0.054 176.063 176.094 0.038 0.000 1.041 57 V CA -0.354 61.989 62.300 0.071 0.000 0.907 57 V CB 1.580 33.320 31.823 -0.138 0.000 0.994 57 V HN 0.808 nan 8.190 nan 0.000 0.442 58 S N 1.757 117.501 115.700 0.075 0.000 2.537 58 S HA 0.782 5.255 4.470 0.005 0.000 0.270 58 S C -0.650 173.797 174.600 -0.255 0.000 1.142 58 S CA -0.342 57.828 58.200 -0.050 0.000 0.870 58 S CB 1.855 65.025 63.200 -0.049 0.000 1.112 58 S HN 1.450 nan 8.310 nan 0.000 0.466 59 T N 0.647 114.951 114.554 -0.417 0.000 2.909 59 T HA 0.769 5.122 4.350 0.005 0.000 0.299 59 T C 0.255 174.790 174.700 -0.276 0.000 1.073 59 T CA 0.949 62.715 62.100 -0.558 0.000 0.999 59 T CB 0.709 68.876 68.868 -1.168 0.000 1.098 59 T HN 2.532 nan 8.240 nan 0.000 0.477 60 G N 4.710 113.394 108.800 -0.194 0.000 2.781 60 G HA2 -0.095 3.868 3.960 0.005 0.000 0.683 60 G HA3 -0.095 3.868 3.960 0.005 0.000 0.683 60 G C -1.711 173.117 174.900 -0.119 0.000 1.390 60 G CA -0.216 44.841 45.100 -0.071 0.000 0.850 60 G HN 0.642 nan 8.290 nan 0.000 0.557 61 P HA -0.002 nan 4.420 nan 0.000 0.226 61 P C 0.009 176.857 177.300 -0.753 0.000 1.153 61 P CA 1.397 64.215 63.100 -0.472 0.000 0.777 61 P CB 0.058 31.412 31.700 -0.576 0.000 0.794 62 Y N -0.191 120.083 120.300 -0.043 0.000 2.511 62 Y HA 0.404 4.957 4.550 0.004 0.000 0.356 62 Y C -2.369 173.505 175.900 -0.043 0.000 1.002 62 Y CA -3.119 54.954 58.100 -0.045 0.000 1.127 62 Y CB 0.059 38.485 38.460 -0.056 0.000 1.137 62 Y HN -0.083 nan 8.280 nan 0.000 0.652 63 P HA -0.021 nan 4.420 nan 0.000 0.257 63 P C -0.009 177.316 177.300 0.042 0.000 1.189 63 P CA 0.605 63.710 63.100 0.008 0.000 0.780 63 P CB 0.715 32.401 31.700 -0.024 0.000 0.772 64 S N 2.515 118.242 115.700 0.045 0.000 2.647 64 S HA 0.169 4.642 4.470 0.005 0.000 0.300 64 S C 1.034 175.666 174.600 0.053 0.000 1.129 64 S CA -0.644 57.585 58.200 0.048 0.000 1.029 64 S CB 0.711 63.938 63.200 0.045 0.000 1.007 64 S HN 0.332 nan 8.310 nan 0.000 0.484 65 E N 2.448 122.681 120.200 0.055 0.000 2.118 65 E HA -0.119 4.234 4.350 0.005 0.000 0.195 65 E C 1.625 178.269 176.600 0.074 0.000 0.992 65 E CA 1.523 57.965 56.400 0.071 0.000 0.804 65 E CB -0.013 29.729 29.700 0.071 0.000 0.741 65 E HN 0.693 nan 8.360 nan 0.000 0.458 66 S N 0.800 116.533 115.700 0.056 0.000 2.368 66 S HA -0.122 4.351 4.470 0.005 0.000 0.225 66 S C 2.004 176.634 174.600 0.050 0.000 1.030 66 S CA 1.050 59.279 58.200 0.048 0.000 0.999 66 S CB -0.028 63.191 63.200 0.031 0.000 0.844 66 S HN 0.352 nan 8.310 nan 0.000 0.459 67 A N 0.161 123.009 122.820 0.047 0.000 2.238 67 A HA 0.439 4.762 4.320 0.005 0.000 0.208 67 A C 1.059 178.686 177.584 0.072 0.000 1.177 67 A CA 0.201 52.264 52.037 0.043 0.000 0.804 67 A CB -0.673 18.343 19.000 0.027 0.000 0.823 67 A HN 0.403 nan 8.150 nan 0.000 0.482 68 M N -1.825 117.835 119.600 0.100 0.000 2.908 68 M HA -0.186 4.297 4.480 0.005 0.000 0.191 68 M C 0.975 177.383 176.300 0.181 0.000 0.619 68 M CA 1.293 56.689 55.300 0.160 0.000 0.709 68 M CB -2.178 30.526 32.600 0.172 0.000 2.554 68 M HN 0.590 nan 8.290 nan 0.000 0.356 69 T N -2.526 112.091 114.554 0.106 0.000 3.163 69 T HA 0.348 4.701 4.350 0.005 0.000 0.252 69 T C 0.187 174.904 174.700 0.027 0.000 1.056 69 T CA 0.069 62.201 62.100 0.053 0.000 0.947 69 T CB 0.367 69.236 68.868 0.002 0.000 1.016 69 T HN 0.480 nan 8.240 nan 0.000 0.554 70 K N 0.275 120.714 120.400 0.064 0.000 2.570 70 K HA 0.617 4.940 4.320 0.005 0.000 0.256 70 K C -2.137 174.478 176.600 0.026 0.000 0.939 70 K CA -0.614 55.688 56.287 0.026 0.000 0.833 70 K CB 1.923 34.437 32.500 0.023 0.000 1.318 70 K HN 0.141 nan 8.250 nan 0.000 0.433 71 A N 2.808 125.599 122.820 -0.050 0.000 2.414 71 A HA 0.703 5.026 4.320 0.005 0.000 0.306 71 A C -1.479 176.193 177.584 0.146 0.000 1.054 71 A CA -0.658 51.383 52.037 0.007 0.000 0.724 71 A CB 1.875 20.692 19.000 -0.306 0.000 1.267 71 A HN 0.308 nan 8.150 nan 0.000 0.418 72 V N 2.931 122.985 119.914 0.233 0.000 2.407 72 V HA 0.657 4.780 4.120 0.005 0.000 0.291 72 V C -1.210 175.077 176.094 0.320 0.000 1.018 72 V CA -0.316 62.087 62.300 0.172 0.000 0.842 72 V CB 0.504 32.386 31.823 0.099 0.000 0.996 72 V HN 0.806 nan 8.190 nan 0.000 0.426 73 F N 4.916 124.968 119.950 0.170 0.000 2.565 73 F HA 0.922 5.452 4.527 0.005 0.000 0.313 73 F C -2.965 172.978 175.800 0.238 0.000 1.091 73 F CA -3.268 54.845 58.000 0.189 0.000 0.915 73 F CB 1.811 40.935 39.000 0.207 0.000 1.208 73 F HN 0.257 nan 8.300 nan 0.000 0.453 74 P HA 0.221 nan 4.420 nan 0.000 0.284 74 P C -0.829 176.632 177.300 0.269 0.000 1.258 74 P CA -0.396 62.822 63.100 0.196 0.000 0.824 74 P CB 2.358 34.123 31.700 0.109 0.000 1.038 75 L N 2.717 124.094 121.223 0.258 0.000 2.536 75 L HA 0.089 4.432 4.340 0.005 0.000 0.282 75 L C 0.921 177.877 176.870 0.143 0.000 1.174 75 L CA 0.709 55.701 54.840 0.254 0.000 0.989 75 L CB -1.221 40.994 42.059 0.260 0.000 1.311 75 L HN 0.479 nan 8.230 nan 0.000 0.455 76 S N 3.277 119.053 115.700 0.126 0.000 2.666 76 S HA 0.438 4.911 4.470 0.005 0.000 0.230 76 S C 0.701 175.333 174.600 0.052 0.000 1.146 76 S CA 0.294 58.541 58.200 0.078 0.000 1.162 76 S CB 0.637 63.882 63.200 0.075 0.000 1.085 76 S HN 0.636 nan 8.310 nan 0.000 0.514 77 N N -1.138 117.583 118.700 0.035 0.000 2.128 77 N HA 0.182 4.925 4.740 0.005 0.000 0.276 77 N C 0.299 175.815 175.510 0.010 0.000 1.008 77 N CA 0.485 53.546 53.050 0.018 0.000 0.762 77 N CB 0.068 38.563 38.487 0.015 0.000 1.811 77 N HN 0.752 nan 8.380 nan 0.000 0.722 78 G N 0.894 109.702 108.800 0.013 0.000 2.444 78 G HA2 0.259 4.222 3.960 0.005 0.000 0.303 78 G HA3 0.259 4.222 3.960 0.005 0.000 0.303 78 G C -0.344 174.559 174.900 0.005 0.000 1.032 78 G CA -0.079 45.025 45.100 0.007 0.000 1.137 78 G HN 0.239 nan 8.290 nan 0.000 0.430 79 S N 2.148 117.843 115.700 -0.009 0.000 2.885 79 S HA 0.075 4.548 4.470 0.005 0.000 0.334 79 S C 1.163 175.751 174.600 -0.019 0.000 1.224 79 S CA 0.203 58.389 58.200 -0.023 0.000 1.080 79 S CB 0.116 63.293 63.200 -0.038 0.000 0.801 79 S HN 0.775 nan 8.310 nan 0.000 0.510 80 S N 3.655 119.346 115.700 -0.016 0.000 2.686 80 S HA 0.634 5.107 4.470 0.005 0.000 0.270 80 S C 1.490 176.071 174.600 -0.032 0.000 1.194 80 S CA -0.189 58.008 58.200 -0.006 0.000 0.990 80 S CB 0.679 63.894 63.200 0.026 0.000 1.029 80 S HN 0.890 nan 8.310 nan 0.000 0.560 81 G N 1.260 110.050 108.800 -0.017 0.000 2.770 81 G HA2 0.138 4.101 3.960 0.005 0.000 0.212 81 G HA3 0.138 4.101 3.960 0.005 0.000 0.212 81 G C 1.125 175.986 174.900 -0.065 0.000 1.357 81 G CA 0.696 45.778 45.100 -0.031 0.000 0.837 81 G HN 0.973 nan 8.290 nan 0.000 0.610 82 G N -0.121 108.661 108.800 -0.031 0.000 2.474 82 G HA2 0.108 4.071 3.960 0.005 0.000 0.157 82 G HA3 0.108 4.071 3.960 0.005 0.000 0.157 82 G C -0.070 174.720 174.900 -0.184 0.000 1.720 82 G CA 0.115 45.177 45.100 -0.064 0.000 0.931 82 G HN 0.356 nan 8.290 nan 0.000 0.376 83 W N 0.760 121.920 121.300 -0.233 0.000 2.218 83 W HA 0.512 5.174 4.660 0.004 0.000 0.326 83 W C 0.551 176.652 176.519 -0.698 0.000 1.276 83 W CA 0.307 57.300 57.345 -0.587 0.000 1.210 83 W CB 1.047 30.007 29.460 -0.834 0.000 1.143 83 W HN 0.608 nan 8.180 nan 0.000 0.563 84 S N 0.957 116.301 115.700 -0.593 0.000 2.567 84 S HA 0.878 5.351 4.470 0.005 0.000 0.270 84 S C -1.307 173.209 174.600 -0.139 0.000 1.152 84 S CA -1.115 56.938 58.200 -0.244 0.000 0.835 84 S CB 1.560 64.695 63.200 -0.108 0.000 1.115 84 S HN 1.006 nan 8.310 nan 0.000 0.459 85 A N 1.213 124.090 122.820 0.094 0.000 2.375 85 A HA 0.758 5.081 4.320 0.005 0.000 0.295 85 A C -1.125 176.459 177.584 -0.001 0.000 1.066 85 A CA -0.720 51.298 52.037 -0.030 0.000 0.722 85 A CB 1.442 20.366 19.000 -0.127 0.000 1.206 85 A HN 1.186 nan 8.150 nan 0.000 0.435 86 V N 2.899 122.779 119.914 -0.057 0.000 2.459 86 V HA 0.383 4.506 4.120 0.005 0.000 0.295 86 V C -0.363 175.718 176.094 -0.021 0.000 1.029 86 V CA -0.563 61.724 62.300 -0.022 0.000 0.874 86 V CB 1.570 33.372 31.823 -0.035 0.000 0.985 86 V HN 0.823 nan 8.190 nan 0.000 0.438 87 L N 5.067 126.294 121.223 0.007 0.000 2.334 87 L HA 0.312 4.655 4.340 0.005 0.000 0.286 87 L C 1.172 178.038 176.870 -0.007 0.000 1.108 87 L CA 0.810 55.654 54.840 0.007 0.000 0.875 87 L CB 0.672 42.745 42.059 0.024 0.000 1.246 87 L HN 0.734 nan 8.230 nan 0.000 0.439 88 Q N 3.915 123.703 119.800 -0.020 0.000 2.331 88 Q HA 0.393 4.736 4.340 0.005 0.000 0.203 88 Q C 0.158 176.146 176.000 -0.019 0.000 0.944 88 Q CA 0.708 56.499 55.803 -0.021 0.000 0.892 88 Q CB 0.308 29.029 28.738 -0.029 0.000 0.983 88 Q HN 0.762 nan 8.270 nan 0.000 0.482 89 A N -0.046 122.762 122.820 -0.019 0.000 2.599 89 A HA 0.579 4.902 4.320 0.005 0.000 0.294 89 A C -1.286 176.288 177.584 -0.017 0.000 1.055 89 A CA -0.650 51.375 52.037 -0.019 0.000 0.683 89 A CB 1.720 20.704 19.000 -0.026 0.000 1.278 89 A HN -0.049 nan 8.150 nan 0.000 0.412 90 S N 1.649 117.341 115.700 -0.014 0.000 2.605 90 S HA 0.666 5.138 4.470 0.005 0.000 0.308 90 S C -1.028 173.564 174.600 -0.014 0.000 1.113 90 S CA -0.682 57.511 58.200 -0.012 0.000 1.049 90 S CB 0.899 64.095 63.200 -0.007 0.000 1.001 90 S HN 0.576 nan 8.310 nan 0.000 0.480 91 N N 2.079 120.769 118.700 -0.017 0.000 2.504 91 N HA 0.487 5.230 4.740 0.005 0.000 0.280 91 N C 0.642 176.142 175.510 -0.016 0.000 1.052 91 N CA 0.020 53.060 53.050 -0.017 0.000 0.887 91 N CB 1.714 40.188 38.487 -0.021 0.000 1.323 91 N HN 0.841 nan 8.380 nan 0.000 0.509 92 G N 3.201 111.994 108.800 -0.013 0.000 2.596 92 G HA2 -0.367 3.596 3.960 0.005 0.000 0.304 92 G HA3 -0.367 3.596 3.960 0.005 0.000 0.304 92 G C 0.309 175.201 174.900 -0.012 0.000 1.189 92 G CA 0.106 45.199 45.100 -0.012 0.000 0.986 92 G HN 0.586 nan 8.290 nan 0.000 0.548 93 N N 1.405 120.097 118.700 -0.014 0.000 2.238 93 N HA 0.214 4.957 4.740 0.005 0.000 0.222 93 N C -0.041 175.458 175.510 -0.019 0.000 1.133 93 N CA 0.656 53.698 53.050 -0.015 0.000 0.854 93 N CB 0.762 39.240 38.487 -0.015 0.000 1.041 93 N HN 0.462 nan 8.380 nan 0.000 0.510 94 T N 1.735 116.276 114.554 -0.020 0.000 2.744 94 T HA 0.421 4.774 4.350 0.005 0.000 0.291 94 T C 0.357 175.042 174.700 -0.024 0.000 0.957 94 T CA -0.339 61.745 62.100 -0.026 0.000 1.002 94 T CB 1.176 70.026 68.868 -0.030 0.000 0.919 94 T HN -0.031 nan 8.240 nan 0.000 0.468 95 L N 3.603 124.812 121.223 -0.024 0.000 2.272 95 L HA 0.385 4.728 4.340 0.005 0.000 0.289 95 L C 0.476 177.329 176.870 -0.028 0.000 1.032 95 L CA -0.746 54.085 54.840 -0.015 0.000 0.810 95 L CB 1.109 43.172 42.059 0.006 0.000 1.205 95 L HN 0.546 nan 8.230 nan 0.000 0.422 96 T N 5.004 119.539 114.554 -0.032 0.000 2.747 96 T HA 0.511 4.864 4.350 0.005 0.000 0.301 96 T C 0.071 174.743 174.700 -0.047 0.000 0.952 96 T CA -0.060 62.011 62.100 -0.049 0.000 0.983 96 T CB 0.135 68.971 68.868 -0.053 0.000 0.930 96 T HN 0.274 nan 8.240 nan 0.000 0.494 97 I N 2.338 122.869 120.570 -0.065 0.000 2.404 97 I HA 0.380 4.553 4.170 0.005 0.000 0.293 97 I C 0.392 176.414 176.117 -0.159 0.000 0.992 97 I CA -0.731 60.514 61.300 -0.091 0.000 1.149 97 I CB 1.903 39.857 38.000 -0.077 0.000 1.315 97 I HN 0.438 nan 8.210 nan 0.000 0.446 98 S N 7.219 122.821 115.700 -0.164 0.000 2.422 98 S HA 0.621 5.094 4.470 0.005 0.000 0.308 98 S C -0.565 173.843 174.600 -0.320 0.000 1.097 98 S CA -0.496 57.579 58.200 -0.208 0.000 1.099 98 S CB 0.218 63.347 63.200 -0.117 0.000 0.976 98 S HN 0.413 nan 8.310 nan 0.000 0.471 99 I N 3.535 123.762 120.570 -0.572 0.000 2.460 99 I HA 0.460 4.633 4.170 0.005 0.000 0.298 99 I C 0.304 176.072 176.117 -0.581 0.000 0.989 99 I CA -0.484 60.431 61.300 -0.642 0.000 1.173 99 I CB 2.080 39.537 38.000 -0.905 0.000 1.338 99 I HN 0.492 nan 8.210 nan 0.000 0.456 100 S N 2.806 118.287 115.700 -0.364 0.000 2.599 100 S HA 0.748 5.221 4.470 0.005 0.000 0.287 100 S C -0.647 173.676 174.600 -0.461 0.000 1.105 100 S CA -0.498 57.529 58.200 -0.288 0.000 0.899 100 S CB 1.763 64.826 63.200 -0.227 0.000 1.100 100 S HN 0.742 nan 8.310 nan 0.000 0.482 101 S N 2.216 117.549 115.700 -0.612 0.000 2.671 101 S HA 0.796 5.269 4.470 0.005 0.000 0.299 101 S C -3.174 170.962 174.600 -0.773 0.000 1.116 101 S CA -1.507 55.915 58.200 -1.296 0.000 0.912 101 S CB 1.653 63.831 63.200 -1.703 0.000 1.130 101 S HN 0.526 nan 8.310 nan 0.000 0.501 102 P HA 0.340 nan 4.420 nan 0.000 0.282 102 P C 0.308 177.487 177.300 -0.203 0.000 1.249 102 P CA -0.449 62.448 63.100 -0.339 0.000 0.806 102 P CB 1.242 32.815 31.700 -0.211 0.000 0.984 103 A N 2.524 125.282 122.820 -0.103 0.000 2.216 103 A HA -0.089 4.234 4.320 0.005 0.000 0.214 103 A C 1.732 179.336 177.584 0.034 0.000 1.160 103 A CA 1.637 53.661 52.037 -0.023 0.000 0.725 103 A CB -1.112 17.886 19.000 -0.003 0.000 0.784 103 A HN 0.632 nan 8.150 nan 0.000 0.472 104 S N -1.254 114.459 115.700 0.021 0.000 2.539 104 S HA 0.588 5.061 4.470 0.005 0.000 0.221 104 S C 0.771 175.431 174.600 0.099 0.000 0.987 104 S CA 0.277 58.520 58.200 0.072 0.000 0.929 104 S CB -0.367 62.870 63.200 0.062 0.000 0.832 104 S HN 0.769 nan 8.310 nan 0.000 0.492 105 A N 2.874 125.743 122.820 0.081 0.000 2.483 105 A HA 0.537 4.860 4.320 0.005 0.000 0.238 105 A C -2.554 175.150 177.584 0.200 0.000 1.070 105 A CA -1.143 51.008 52.037 0.191 0.000 0.770 105 A CB -0.490 18.617 19.000 0.179 0.000 1.008 105 A HN 0.319 nan 8.150 nan 0.000 0.497 106 P HA 0.200 nan 4.420 nan 0.000 0.268 106 P C -0.078 177.336 177.300 0.190 0.000 1.205 106 P CA 0.092 63.298 63.100 0.177 0.000 0.771 106 P CB 0.379 32.170 31.700 0.152 0.000 0.858 107 I N -0.261 120.292 120.570 -0.028 0.000 2.886 107 I HA 0.813 4.986 4.170 0.005 0.000 0.299 107 I C 0.711 176.850 176.117 0.037 0.000 1.044 107 I CA -0.202 61.045 61.300 -0.088 0.000 1.310 107 I CB 0.597 38.278 38.000 -0.531 0.000 1.441 107 I HN 0.613 nan 8.210 nan 0.000 0.578 108 G N 3.389 112.235 108.800 0.076 0.000 2.293 108 G HA2 0.016 3.978 3.960 0.005 0.000 0.282 108 G HA3 0.016 3.978 3.960 0.005 0.000 0.282 108 G C -1.066 173.876 174.900 0.069 0.000 1.299 108 G CA -1.064 44.054 45.100 0.030 0.000 1.018 108 G HN 0.817 nan 8.290 nan 0.000 0.478 109 R N -0.117 120.349 120.500 -0.057 0.000 2.221 109 R HA 0.587 4.930 4.340 0.005 0.000 0.327 109 R C -1.021 175.150 176.300 -0.214 0.000 1.033 109 R CA -0.185 55.856 56.100 -0.100 0.000 0.887 109 R CB 0.748 30.975 30.300 -0.122 0.000 1.057 109 R HN 0.442 nan 8.270 nan 0.000 0.455 110 Y N 0.006 120.007 120.300 -0.497 0.000 2.587 110 Y HA 0.391 4.943 4.550 0.003 0.000 0.337 110 Y C 0.655 176.188 175.900 -0.613 0.000 1.065 110 Y CA -0.751 56.984 58.100 -0.608 0.000 1.126 110 Y CB 2.262 40.130 38.460 -0.986 0.000 1.279 110 Y HN 0.522 nan 8.280 nan 0.000 0.489 111 T N -0.286 114.153 114.554 -0.192 0.000 2.876 111 T HA 0.649 5.001 4.350 0.005 0.000 0.289 111 T C -0.862 173.892 174.700 0.089 0.000 1.014 111 T CA -0.871 61.184 62.100 -0.075 0.000 0.986 111 T CB 1.558 70.400 68.868 -0.043 0.000 1.021 111 T HN 0.659 nan 8.240 nan 0.000 0.458 112 M N 2.665 122.414 119.600 0.248 0.000 2.243 112 M HA 0.707 5.189 4.480 0.005 0.000 0.324 112 M C -1.156 175.306 176.300 0.269 0.000 1.031 112 M CA -0.674 54.858 55.300 0.388 0.000 0.949 112 M CB 1.403 34.437 32.600 0.723 0.000 1.615 112 M HN 1.041 nan 8.290 nan 0.000 0.430 113 A N 4.085 127.000 122.820 0.159 0.000 2.384 113 A HA 0.886 5.209 4.320 0.005 0.000 0.312 113 A C -1.995 175.557 177.584 -0.053 0.000 1.113 113 A CA -0.734 51.335 52.037 0.054 0.000 0.779 113 A CB 1.746 20.751 19.000 0.009 0.000 1.307 113 A HN 0.789 nan 8.150 nan 0.000 0.436 114 L N 0.275 121.419 121.223 -0.131 0.000 2.362 114 L HA 0.565 4.908 4.340 0.005 0.000 0.275 114 L C -0.374 176.358 176.870 -0.230 0.000 0.998 114 L CA -0.048 54.614 54.840 -0.297 0.000 0.820 114 L CB 1.928 43.776 42.059 -0.352 0.000 1.270 114 L HN 0.800 nan 8.230 nan 0.000 0.415 115 Q N 4.797 124.452 119.800 -0.242 0.000 2.333 115 Q HA 0.604 4.947 4.340 0.005 0.000 0.265 115 Q C -1.535 174.345 176.000 -0.201 0.000 0.989 115 Q CA -0.508 55.165 55.803 -0.217 0.000 0.842 115 Q CB 1.421 30.061 28.738 -0.164 0.000 1.262 115 Q HN 0.720 nan 8.270 nan 0.000 0.451 116 I N 3.823 124.242 120.570 -0.252 0.000 2.404 116 I HA 0.325 4.498 4.170 0.005 0.000 0.293 116 I C -0.920 175.053 176.117 -0.241 0.000 0.992 116 I CA -0.741 60.468 61.300 -0.151 0.000 1.149 116 I CB 1.179 39.108 38.000 -0.118 0.000 1.315 116 I HN 0.580 nan 8.210 nan 0.000 0.446 117 F N 4.690 124.604 119.950 -0.060 0.000 2.308 117 F HA 0.414 4.944 4.527 0.005 0.000 0.370 117 F C 0.498 176.278 175.800 -0.034 0.000 1.100 117 F CA -0.267 57.709 58.000 -0.041 0.000 1.108 117 F CB 1.325 40.305 39.000 -0.033 0.000 1.293 117 F HN 0.349 nan 8.300 nan 0.000 0.478 118 S N 2.391 118.134 115.700 0.072 0.000 2.540 118 S HA 0.332 4.805 4.470 0.005 0.000 0.275 118 S C -0.495 174.118 174.600 0.023 0.000 1.123 118 S CA -0.502 57.723 58.200 0.043 0.000 0.907 118 S CB 1.186 64.392 63.200 0.011 0.000 1.081 118 S HN 0.693 nan 8.310 nan 0.000 0.476 119 Q N 2.106 121.920 119.800 0.024 0.000 2.435 119 Q HA -0.233 4.110 4.340 0.005 0.000 0.286 119 Q C 0.964 176.973 176.000 0.016 0.000 1.229 119 Q CA 0.989 56.800 55.803 0.014 0.000 0.884 119 Q CB -2.009 26.730 28.738 0.002 0.000 1.245 119 Q HN 1.738 nan 8.270 nan 0.000 0.488 120 G N -2.485 106.335 108.800 0.033 0.000 2.184 120 G HA2 -0.294 3.669 3.960 0.005 0.000 0.264 120 G HA3 -0.294 3.669 3.960 0.005 0.000 0.264 120 G C 0.338 175.253 174.900 0.026 0.000 0.975 120 G CA 0.269 45.390 45.100 0.035 0.000 0.642 120 G HN 0.928 nan 8.290 nan 0.000 0.536 121 G N -1.043 107.760 108.800 0.004 0.000 2.788 121 G HA2 0.783 4.746 3.960 0.005 0.000 0.293 121 G HA3 0.783 4.746 3.960 0.005 0.000 0.293 121 G C -0.780 174.060 174.900 -0.101 0.000 1.305 121 G CA -0.932 44.147 45.100 -0.036 0.000 1.005 121 G HN 0.693 nan 8.290 nan 0.000 0.496 122 I N 0.504 120.970 120.570 -0.172 0.000 2.647 122 I HA 0.504 4.677 4.170 0.005 0.000 0.295 122 I C -0.290 175.682 176.117 -0.242 0.000 1.078 122 I CA -0.797 60.302 61.300 -0.335 0.000 1.048 122 I CB 2.575 40.289 38.000 -0.476 0.000 1.239 122 I HN 0.591 nan 8.210 nan 0.000 0.421 123 S N 2.934 118.483 115.700 -0.252 0.000 2.549 123 S HA 0.741 5.214 4.470 0.005 0.000 0.280 123 S C -0.928 173.564 174.600 -0.180 0.000 1.109 123 S CA -0.640 57.457 58.200 -0.172 0.000 0.905 123 S CB 2.092 65.218 63.200 -0.124 0.000 1.081 123 S HN 0.480 nan 8.310 nan 0.000 0.477 124 S N 0.698 116.318 115.700 -0.135 0.000 2.536 124 S HA 0.872 5.345 4.470 0.005 0.000 0.298 124 S C -1.242 173.309 174.600 -0.082 0.000 1.083 124 S CA -0.628 57.501 58.200 -0.119 0.000 0.995 124 S CB 1.640 64.777 63.200 -0.106 0.000 1.058 124 S HN 1.249 nan 8.310 nan 0.000 0.488 125 V N 3.174 123.045 119.914 -0.072 0.000 2.969 125 V HA 0.576 4.698 4.120 0.005 0.000 0.304 125 V C -1.302 174.785 176.094 -0.011 0.000 1.192 125 V CA -0.833 61.444 62.300 -0.038 0.000 0.962 125 V CB 2.056 33.856 31.823 -0.039 0.000 1.045 125 V HN 0.841 nan 8.190 nan 0.000 0.428 126 K N 4.687 125.100 120.400 0.022 0.000 2.234 126 K HA 0.477 4.800 4.320 0.005 0.000 0.282 126 K C 0.362 177.035 176.600 0.123 0.000 1.039 126 K CA -0.522 55.804 56.287 0.065 0.000 0.928 126 K CB 1.380 33.914 32.500 0.057 0.000 1.039 126 K HN 0.805 nan 8.250 nan 0.000 0.470 127 L N 2.563 123.911 121.223 0.208 0.000 2.202 127 L HA 0.210 4.553 4.340 0.005 0.000 0.205 127 L C 1.167 178.363 176.870 0.544 0.000 1.083 127 L CA 0.641 55.690 54.840 0.348 0.000 0.790 127 L CB 0.021 42.324 42.059 0.406 0.000 0.942 127 L HN 0.999 nan 8.230 nan 0.000 0.452 128 G N -0.638 108.409 108.800 0.412 0.000 2.352 128 G HA2 0.209 4.172 3.960 0.005 0.000 0.283 128 G HA3 0.209 4.172 3.960 0.005 0.000 0.283 128 G C -1.055 173.890 174.900 0.075 0.000 1.308 128 G CA -0.139 45.092 45.100 0.219 0.000 0.892 128 G HN 0.018 nan 8.290 nan 0.000 0.504 129 T N -1.895 112.596 114.554 -0.104 0.000 2.916 129 T HA 0.927 5.280 4.350 0.005 0.000 0.292 129 T C -0.620 173.998 174.700 -0.137 0.000 1.064 129 T CA -0.175 61.849 62.100 -0.127 0.000 1.011 129 T CB 2.160 70.949 68.868 -0.133 0.000 1.152 129 T HN 2.004 nan 8.240 nan 0.000 0.510 130 F N -1.294 118.557 119.950 -0.165 0.000 2.713 130 F HA 0.799 5.328 4.527 0.004 0.000 0.311 130 F C -1.963 173.791 175.800 -0.077 0.000 1.141 130 F CA -1.746 56.131 58.000 -0.205 0.000 0.939 130 F CB 1.036 39.865 39.000 -0.285 0.000 1.325 130 F HN 0.584 nan 8.300 nan 0.000 0.453 131 I N 2.711 123.348 120.570 0.112 0.000 2.404 131 I HA 0.467 4.640 4.170 0.005 0.000 0.293 131 I C -1.376 174.828 176.117 0.145 0.000 0.992 131 I CA -0.964 60.370 61.300 0.056 0.000 1.149 131 I CB 1.864 39.833 38.000 -0.052 0.000 1.315 131 I HN 0.536 nan 8.210 nan 0.000 0.446 132 L N 7.768 129.093 121.223 0.171 0.000 2.341 132 L HA 0.636 4.979 4.340 0.005 0.000 0.278 132 L C -0.912 175.983 176.870 0.040 0.000 1.005 132 L CA -0.113 54.806 54.840 0.131 0.000 0.818 132 L CB 1.321 43.469 42.059 0.148 0.000 1.259 132 L HN 0.453 nan 8.230 nan 0.000 0.418 133 L N 2.869 124.103 121.223 0.018 0.000 2.256 133 L HA 0.553 4.895 4.340 0.005 0.000 0.261 133 L C -0.669 176.210 176.870 0.016 0.000 1.022 133 L CA -0.981 53.849 54.840 -0.017 0.000 0.828 133 L CB 1.367 43.489 42.059 0.105 0.000 1.374 133 L HN 0.297 nan 8.230 nan 0.000 0.436 134 F N 0.605 120.668 119.950 0.188 0.000 2.553 134 F HA 0.068 4.599 4.527 0.006 0.000 0.356 134 F C 0.855 176.811 175.800 0.260 0.000 1.142 134 F CA 0.106 58.224 58.000 0.196 0.000 1.322 134 F CB 0.071 39.185 39.000 0.190 0.000 1.126 134 F HN 0.334 nan 8.300 nan 0.000 0.599 135 N N 3.734 122.712 118.700 0.464 0.000 2.898 135 N HA 0.309 5.052 4.740 0.005 0.000 0.245 135 N C -2.271 173.542 175.510 0.506 0.000 1.185 135 N CA -2.338 50.993 53.050 0.468 0.000 0.879 135 N CB 0.852 39.526 38.487 0.312 0.000 1.157 135 N HN 0.077 nan 8.380 nan 0.000 0.503 136 P HA -0.025 nan 4.420 nan 0.000 0.226 136 P C 0.906 178.294 177.300 0.147 0.000 1.146 136 P CA 0.869 64.088 63.100 0.198 0.000 0.773 136 P CB 0.117 31.754 31.700 -0.105 0.000 0.772 137 W N -1.543 119.897 121.300 0.234 0.000 2.863 137 W HA 0.197 4.860 4.660 0.006 0.000 0.258 137 W C 0.417 177.152 176.519 0.359 0.000 1.298 137 W CA -0.281 57.210 57.345 0.243 0.000 1.451 137 W CB -0.067 29.477 29.460 0.140 0.000 1.107 137 W HN -0.077 nan 8.180 nan 0.000 0.641 138 L N 3.514 125.044 121.223 0.512 0.000 2.283 138 L HA 0.070 4.413 4.340 0.005 0.000 0.287 138 L C 1.486 178.313 176.870 -0.072 0.000 1.073 138 L CA 0.094 55.064 54.840 0.217 0.000 0.822 138 L CB 0.301 42.451 42.059 0.153 0.000 1.186 138 L HN -0.036 nan 8.230 nan 0.000 0.436 139 N N 4.023 122.366 118.700 -0.595 0.000 2.334 139 N HA -0.211 4.532 4.740 0.005 0.000 0.187 139 N C 0.940 176.081 175.510 -0.616 0.000 1.016 139 N CA 1.996 54.214 53.050 -1.388 0.000 0.879 139 N CB -0.527 37.411 38.487 -0.916 0.000 0.965 139 N HN 0.546 nan 8.380 nan 0.000 0.438 140 V N -3.721 116.039 119.914 -0.257 0.000 3.590 140 V HA 0.140 4.263 4.120 0.005 0.000 0.265 140 V C 0.672 176.764 176.094 -0.004 0.000 1.239 140 V CA -0.165 62.070 62.300 -0.109 0.000 1.117 140 V CB -0.530 31.249 31.823 -0.073 0.000 0.818 140 V HN -0.023 nan 8.190 nan 0.000 0.451 141 D N 1.851 122.287 120.400 0.061 0.000 2.382 141 D HA 0.102 4.745 4.640 0.005 0.000 0.245 141 D C 1.492 177.900 176.300 0.181 0.000 1.120 141 D CA 0.977 55.071 54.000 0.156 0.000 0.890 141 D CB 2.088 43.033 40.800 0.242 0.000 1.201 141 D HN 0.387 nan 8.370 nan 0.000 0.433 142 S N 1.430 117.219 115.700 0.149 0.000 2.474 142 S HA -0.131 4.342 4.470 0.005 0.000 0.235 142 S C 1.686 176.369 174.600 0.139 0.000 0.997 142 S CA 0.800 59.070 58.200 0.117 0.000 0.949 142 S CB -0.442 62.800 63.200 0.070 0.000 0.766 142 S HN 0.440 nan 8.310 nan 0.000 0.517 143 V N -2.067 117.951 119.914 0.173 0.000 3.514 143 V HA 0.445 4.568 4.120 0.005 0.000 0.301 143 V C 0.445 176.719 176.094 0.301 0.000 1.346 143 V CA -0.965 61.453 62.300 0.198 0.000 1.156 143 V CB -1.731 30.154 31.823 0.104 0.000 1.029 143 V HN 0.320 nan 8.190 nan 0.000 0.428 144 F N 2.613 122.659 119.950 0.160 0.000 2.612 144 F HA 0.356 4.888 4.527 0.008 0.000 0.389 144 F C 0.131 176.080 175.800 0.248 0.000 1.055 144 F CA -0.053 58.040 58.000 0.155 0.000 1.232 144 F CB 0.497 39.566 39.000 0.115 0.000 1.044 144 F HN 0.266 nan 8.300 nan 0.000 0.560 145 M N 7.048 126.191 119.600 -0.760 0.000 2.067 145 M HA 0.332 4.815 4.480 0.005 0.000 0.286 145 M C 0.692 176.309 176.300 -1.138 0.000 0.922 145 M CA -0.225 54.571 55.300 -0.840 0.000 0.937 145 M CB 1.297 33.458 32.600 -0.733 0.000 1.550 145 M HN 0.753 nan 8.290 nan 0.000 0.433 146 G N 3.454 111.552 108.800 -1.171 0.000 2.422 146 G HA2 -0.153 3.810 3.960 0.005 0.000 0.218 146 G HA3 -0.153 3.810 3.960 0.005 0.000 0.218 146 G C 0.622 175.333 174.900 -0.315 0.000 1.140 146 G CA 0.093 44.800 45.100 -0.657 0.000 0.775 146 G HN 0.697 nan 8.290 nan 0.000 0.545 147 N N 0.088 118.594 118.700 -0.323 0.000 2.470 147 N HA 0.011 4.754 4.740 0.005 0.000 0.268 147 N C 1.104 176.478 175.510 -0.227 0.000 1.136 147 N CA -0.199 52.727 53.050 -0.207 0.000 0.961 147 N CB 0.908 39.276 38.487 -0.198 0.000 1.067 147 N HN 0.269 nan 8.380 nan 0.000 0.468 148 H N 4.470 123.434 119.070 -0.177 0.000 2.265 148 H HA -0.141 4.420 4.556 0.008 0.000 0.295 148 H C 1.721 176.946 175.328 -0.173 0.000 1.084 148 H CA 2.896 58.849 56.048 -0.159 0.000 1.261 148 H CB -0.018 29.699 29.762 -0.074 0.000 1.360 148 H HN 0.721 nan 8.280 nan 0.000 0.487 149 A N 0.398 123.067 122.820 -0.251 0.000 1.902 149 A HA -0.195 4.128 4.320 0.005 0.000 0.217 149 A C 2.317 179.680 177.584 -0.369 0.000 1.181 149 A CA 1.882 53.753 52.037 -0.276 0.000 0.623 149 A CB -0.605 18.329 19.000 -0.110 0.000 0.818 149 A HN 0.687 nan 8.150 nan 0.000 0.443 150 E N -0.886 119.101 120.200 -0.355 0.000 2.031 150 E HA -0.201 4.151 4.350 0.005 0.000 0.193 150 E C 2.338 178.657 176.600 -0.469 0.000 0.994 150 E CA 1.210 57.341 56.400 -0.449 0.000 0.800 150 E CB -0.192 29.347 29.700 -0.268 0.000 0.752 150 E HN 0.556 nan 8.360 nan 0.000 0.447 151 R N 0.840 121.076 120.500 -0.440 0.000 2.127 151 R HA -0.186 4.157 4.340 0.005 0.000 0.238 151 R C 1.827 177.887 176.300 -0.400 0.000 1.134 151 R CA 1.236 57.054 56.100 -0.472 0.000 0.975 151 R CB 0.053 29.929 30.300 -0.706 0.000 0.865 151 R HN 0.132 nan 8.270 nan 0.000 0.447 152 E N 0.420 120.362 120.200 -0.431 0.000 2.072 152 E HA -0.209 4.144 4.350 0.005 0.000 0.191 152 E C 1.780 178.269 176.600 -0.185 0.000 0.985 152 E CA 1.281 57.511 56.400 -0.284 0.000 0.801 152 E CB -0.048 29.444 29.700 -0.348 0.000 0.750 152 E HN 0.397 nan 8.360 nan 0.000 0.452 153 E N 0.059 120.072 120.200 -0.312 0.000 2.072 153 E HA -0.142 4.210 4.350 0.005 0.000 0.190 153 E C 1.359 177.860 176.600 -0.165 0.000 0.982 153 E CA 0.972 57.191 56.400 -0.300 0.000 0.803 153 E CB -0.237 29.124 29.700 -0.566 0.000 0.755 153 E HN 0.216 nan 8.360 nan 0.000 0.453 154 Y N -0.791 119.478 120.300 -0.052 0.000 2.529 154 Y HA 0.186 4.738 4.550 0.004 0.000 0.290 154 Y C 1.422 177.304 175.900 -0.030 0.000 1.177 154 Y CA 0.068 58.154 58.100 -0.022 0.000 1.305 154 Y CB 0.414 38.895 38.460 0.035 0.000 1.047 154 Y HN -0.014 nan 8.280 nan 0.000 0.522 155 V N -2.042 117.927 119.914 0.092 0.000 3.141 155 V HA -0.014 4.109 4.120 0.005 0.000 0.225 155 V C 1.604 177.819 176.094 0.202 0.000 1.352 155 V CA 0.305 62.679 62.300 0.123 0.000 1.316 155 V CB 0.195 32.064 31.823 0.076 0.000 1.126 155 V HN -0.004 nan 8.190 nan 0.000 0.493 156 Q N 0.537 120.465 119.800 0.214 0.000 2.398 156 Q HA 0.099 4.442 4.340 0.005 0.000 0.204 156 Q C 0.823 177.041 176.000 0.364 0.000 0.932 156 Q CA 0.346 56.362 55.803 0.356 0.000 0.916 156 Q CB 0.176 29.049 28.738 0.225 0.000 1.024 156 Q HN 0.589 nan 8.270 nan 0.000 0.504 157 E N 2.634 122.960 120.200 0.210 0.000 2.257 157 E HA -0.006 4.347 4.350 0.005 0.000 0.278 157 E C -0.099 176.674 176.600 0.288 0.000 1.049 157 E CA -0.020 56.511 56.400 0.217 0.000 0.876 157 E CB 0.617 30.401 29.700 0.140 0.000 1.035 157 E HN 0.086 nan 8.360 nan 0.000 0.419 158 D N 2.828 123.425 120.400 0.328 0.000 2.398 158 D HA 0.158 4.801 4.640 0.005 0.000 0.210 158 D C -0.140 176.350 176.300 0.317 0.000 1.094 158 D CA -0.240 53.961 54.000 0.336 0.000 0.839 158 D CB 0.205 41.167 40.800 0.269 0.000 0.963 158 D HN 0.266 nan 8.370 nan 0.000 0.506 159 A N 0.091 123.055 122.820 0.239 0.000 2.304 159 A HA 0.748 5.070 4.320 0.005 0.000 0.323 159 A C 0.309 177.947 177.584 0.090 0.000 1.195 159 A CA -0.147 51.935 52.037 0.075 0.000 0.826 159 A CB 1.496 20.527 19.000 0.052 0.000 1.184 159 A HN 0.238 nan 8.150 nan 0.000 0.496 160 G N 0.342 109.050 108.800 -0.153 0.000 2.798 160 G HA2 0.634 4.597 3.960 0.005 0.000 0.286 160 G HA3 0.634 4.597 3.960 0.005 0.000 0.286 160 G C -1.384 173.453 174.900 -0.106 0.000 1.389 160 G CA -0.508 44.553 45.100 -0.064 0.000 0.894 160 G HN 0.497 nan 8.290 nan 0.000 0.488 161 I N 0.510 121.039 120.570 -0.068 0.000 2.533 161 I HA 0.464 4.636 4.170 0.005 0.000 0.290 161 I C -0.766 175.175 176.117 -0.293 0.000 1.056 161 I CA -0.727 60.438 61.300 -0.225 0.000 1.057 161 I CB 1.621 39.438 38.000 -0.305 0.000 1.240 161 I HN 0.320 nan 8.210 nan 0.000 0.423 162 I N 5.863 126.209 120.570 -0.373 0.000 2.439 162 I HA 0.343 4.516 4.170 0.005 0.000 0.285 162 I C -0.594 175.233 176.117 -0.483 0.000 1.021 162 I CA -0.558 60.544 61.300 -0.330 0.000 1.091 162 I CB 1.537 39.409 38.000 -0.213 0.000 1.242 162 I HN 0.238 nan 8.210 nan 0.000 0.439 163 F N 6.247 126.088 119.950 -0.182 0.000 2.418 163 F HA 0.482 5.003 4.527 -0.010 0.000 0.341 163 F C 0.725 176.267 175.800 -0.431 0.000 1.120 163 F CA -0.121 57.765 58.000 -0.189 0.000 1.232 163 F CB 0.985 39.968 39.000 -0.029 0.000 1.175 163 F HN 0.230 nan 8.300 nan 0.000 0.569 164 V N -1.066 118.667 119.914 -0.302 0.000 3.089 164 V HA 1.026 5.149 4.120 0.005 0.000 0.312 164 V C 0.099 176.020 176.094 -0.288 0.000 1.433 164 V CA -0.274 61.465 62.300 -0.935 0.000 1.025 164 V CB 1.014 32.197 31.823 -1.068 0.000 1.077 164 V HN 1.352 nan 8.190 nan 0.000 0.478 165 G N 0.463 109.091 108.800 -0.288 0.000 2.709 165 G HA2 0.310 4.272 3.960 0.005 0.000 0.228 165 G HA3 0.310 4.272 3.960 0.005 0.000 0.228 165 G C 0.072 175.240 174.900 0.446 0.000 1.215 165 G CA 0.484 45.670 45.100 0.145 0.000 1.003 165 G HN 2.701 nan 8.290 nan 0.000 0.584 166 S N -2.467 113.454 115.700 0.369 0.000 2.688 166 S HA 0.673 5.146 4.470 0.005 0.000 0.275 166 S C 0.993 175.625 174.600 0.054 0.000 1.175 166 S CA 0.972 59.404 58.200 0.387 0.000 0.818 166 S CB 1.127 64.488 63.200 0.268 0.000 1.157 166 S HN 2.273 nan 8.310 nan 0.000 0.482 167 T N -1.205 113.424 114.554 0.126 0.000 3.072 167 T HA 0.031 4.384 4.350 0.005 0.000 0.266 167 T C 0.809 175.502 174.700 -0.012 0.000 1.127 167 T CA 1.430 63.559 62.100 0.047 0.000 1.107 167 T CB -0.937 68.060 68.868 0.215 0.000 0.910 167 T HN 0.618 nan 8.240 nan 0.000 0.513 168 N N 0.340 119.040 118.700 -0.000 0.000 2.388 168 N HA 0.242 4.985 4.740 0.005 0.000 0.176 168 N C 0.508 175.975 175.510 -0.071 0.000 1.062 168 N CA 0.046 53.084 53.050 -0.019 0.000 0.895 168 N CB 0.386 38.890 38.487 0.028 0.000 1.018 168 N HN 0.197 nan 8.380 nan 0.000 0.456 169 R N 0.852 121.300 120.500 -0.086 0.000 2.921 169 R HA 0.314 4.657 4.340 0.005 0.000 0.269 169 R C -1.450 174.778 176.300 -0.120 0.000 1.696 169 R CA -0.261 55.784 56.100 -0.092 0.000 1.161 169 R CB 0.750 31.036 30.300 -0.024 0.000 1.337 169 R HN 0.049 nan 8.270 nan 0.000 0.496 170 I N 2.370 122.800 120.570 -0.234 0.000 2.396 170 I HA 0.279 4.452 4.170 0.005 0.000 0.289 170 I C 1.004 177.095 176.117 -0.043 0.000 1.056 170 I CA 0.133 61.301 61.300 -0.220 0.000 1.365 170 I CB 1.276 39.021 38.000 -0.425 0.000 1.407 170 I HN 0.563 nan 8.210 nan 0.000 0.509 171 G N 6.517 115.336 108.800 0.032 0.000 2.788 171 G HA2 0.869 4.832 3.960 0.005 0.000 0.293 171 G HA3 0.869 4.832 3.960 0.005 0.000 0.293 171 G C -0.873 174.026 174.900 -0.002 0.000 1.305 171 G CA -0.828 44.275 45.100 0.005 0.000 1.005 171 G HN 0.607 nan 8.290 nan 0.000 0.496 172 M N -0.811 118.713 119.600 -0.127 0.000 2.575 172 M HA 0.811 5.294 4.480 0.005 0.000 0.284 172 M C -1.150 174.985 176.300 -0.275 0.000 1.253 172 M CA -1.031 54.079 55.300 -0.315 0.000 0.861 172 M CB 2.569 34.893 32.600 -0.461 0.000 1.733 172 M HN 0.628 nan 8.290 nan 0.000 0.462 173 I N -0.672 119.712 120.570 -0.310 0.000 2.686 173 I HA 0.924 5.097 4.170 0.005 0.000 0.295 173 I C -0.223 175.808 176.117 -0.143 0.000 1.114 173 I CA -0.843 60.336 61.300 -0.202 0.000 1.038 173 I CB 2.220 40.092 38.000 -0.213 0.000 1.238 173 I HN 0.878 nan 8.210 nan 0.000 0.420 174 G N 4.286 113.037 108.800 -0.081 0.000 2.503 174 G HA2 0.322 4.285 3.960 0.005 0.000 0.257 174 G HA3 0.322 4.285 3.960 0.005 0.000 0.257 174 G C -1.632 173.300 174.900 0.052 0.000 1.214 174 G CA -0.411 44.655 45.100 -0.057 0.000 0.839 174 G HN 0.798 nan 8.290 nan 0.000 0.559 175 W N 2.197 123.334 121.300 -0.272 0.000 3.259 175 W HA 0.308 5.077 4.660 0.182 0.000 0.331 175 W C -1.363 174.871 176.519 -0.476 0.000 1.144 175 W CA -0.966 56.182 57.345 -0.328 0.000 1.227 175 W CB 2.035 31.265 29.460 -0.382 0.000 1.371 175 W HN 0.503 nan 8.180 nan 0.000 0.491 176 N N 4.525 122.816 118.700 -0.681 0.000 2.469 176 N HA 0.187 4.930 4.740 0.005 0.000 0.239 176 N C 0.430 175.759 175.510 -0.301 0.000 1.053 176 N CA -0.096 52.697 53.050 -0.428 0.000 0.937 176 N CB -0.049 38.243 38.487 -0.325 0.000 1.163 176 N HN 0.321 nan 8.380 nan 0.000 0.509 177 F N 2.214 122.226 119.950 0.103 0.000 2.146 177 F HA 0.069 4.553 4.527 -0.072 0.000 0.298 177 F C 2.077 177.889 175.800 0.021 0.000 1.096 177 F CA 0.493 58.580 58.000 0.146 0.000 1.275 177 F CB -0.227 38.850 39.000 0.128 0.000 1.008 177 F HN 0.634 nan 8.300 nan 0.000 0.480 178 G N 1.300 110.195 108.800 0.158 0.000 2.379 178 G HA2 -0.353 3.610 3.960 0.005 0.000 0.297 178 G HA3 -0.353 3.610 3.960 0.005 0.000 0.297 178 G C 1.121 176.031 174.900 0.016 0.000 1.004 178 G CA 0.693 45.837 45.100 0.074 0.000 0.921 178 G HN 0.544 nan 8.290 nan 0.000 0.511 179 Q N -1.099 118.620 119.800 -0.134 0.000 2.291 179 Q HA -0.065 4.278 4.340 0.005 0.000 0.206 179 Q C 1.685 177.543 176.000 -0.237 0.000 0.976 179 Q CA 1.483 57.147 55.803 -0.231 0.000 0.875 179 Q CB -0.275 28.204 28.738 -0.431 0.000 0.927 179 Q HN 0.602 nan 8.270 nan 0.000 0.450 180 F N 1.595 121.587 119.950 0.069 0.000 2.776 180 F HA 0.246 4.782 4.527 0.015 0.000 0.300 180 F C 0.779 176.648 175.800 0.115 0.000 1.116 180 F CA -0.371 57.640 58.000 0.018 0.000 1.375 180 F CB 0.045 38.963 39.000 -0.137 0.000 1.109 180 F HN -0.108 nan 8.300 nan 0.000 0.585 181 E N 1.175 121.505 120.200 0.217 0.000 2.404 181 E HA -0.040 4.312 4.350 0.005 0.000 0.261 181 E C 0.172 176.870 176.600 0.163 0.000 1.074 181 E CA -0.222 56.276 56.400 0.165 0.000 0.917 181 E CB 0.365 30.129 29.700 0.106 0.000 0.965 181 E HN 0.050 nan 8.360 nan 0.000 0.433 182 E N 1.254 121.532 120.200 0.129 0.000 2.765 182 E HA -0.174 4.179 4.350 0.005 0.000 0.256 182 E C 0.051 176.708 176.600 0.096 0.000 0.935 182 E CA 0.883 57.349 56.400 0.109 0.000 0.954 182 E CB -0.079 29.668 29.700 0.078 0.000 0.908 182 E HN 0.535 nan 8.360 nan 0.000 0.500 183 D N 2.538 122.994 120.400 0.093 0.000 2.978 183 D HA -0.236 4.407 4.640 0.005 0.000 0.205 183 D C 0.792 177.142 176.300 0.084 0.000 1.093 183 D CA 1.257 55.300 54.000 0.073 0.000 1.006 183 D CB -0.819 40.013 40.800 0.054 0.000 1.116 183 D HN 0.438 nan 8.370 nan 0.000 0.419 184 I N 0.129 120.765 120.570 0.110 0.000 2.202 184 I HA -0.159 4.014 4.170 0.005 0.000 0.242 184 I C 2.567 178.748 176.117 0.108 0.000 1.091 184 I CA 0.946 62.312 61.300 0.110 0.000 1.368 184 I CB -1.087 36.983 38.000 0.117 0.000 1.058 184 I HN 0.271 nan 8.210 nan 0.000 0.410 185 L N 0.659 121.958 121.223 0.127 0.000 2.012 185 L HA -0.220 4.123 4.340 0.005 0.000 0.210 185 L C 2.781 179.659 176.870 0.012 0.000 1.073 185 L CA 2.183 57.056 54.840 0.054 0.000 0.748 185 L CB -0.946 41.056 42.059 -0.094 0.000 0.891 185 L HN 0.192 nan 8.230 nan 0.000 0.431 186 S N -0.613 115.096 115.700 0.015 0.000 2.359 186 S HA -0.206 4.267 4.470 0.005 0.000 0.224 186 S C 2.049 176.668 174.600 0.032 0.000 1.035 186 S CA 1.890 60.093 58.200 0.005 0.000 1.018 186 S CB -0.493 62.711 63.200 0.008 0.000 0.876 186 S HN 0.521 nan 8.310 nan 0.000 0.448 187 I N 0.852 121.463 120.570 0.068 0.000 2.252 187 I HA -0.185 3.988 4.170 0.005 0.000 0.245 187 I C 2.524 178.720 176.117 0.132 0.000 1.102 187 I CA 0.918 62.293 61.300 0.125 0.000 1.385 187 I CB -0.574 37.525 38.000 0.164 0.000 1.064 187 I HN 0.418 nan 8.210 nan 0.000 0.414 188 C N 0.664 120.016 119.300 0.087 0.000 2.422 188 C HA -0.102 4.361 4.460 0.005 0.000 0.279 188 C C 2.726 177.747 174.990 0.053 0.000 1.305 188 C CA 0.560 59.616 59.018 0.064 0.000 1.757 188 C CB -1.009 26.770 27.740 0.064 0.000 1.962 188 C HN 0.459 nan 8.230 nan 0.000 0.499 189 L N 1.443 122.687 121.223 0.035 0.000 2.072 189 L HA -0.099 4.244 4.340 0.005 0.000 0.205 189 L C 2.765 179.632 176.870 -0.004 0.000 1.079 189 L CA 1.816 56.660 54.840 0.007 0.000 0.752 189 L CB -0.637 41.409 42.059 -0.021 0.000 0.906 189 L HN 0.452 nan 8.230 nan 0.000 0.436 190 S N 0.023 115.732 115.700 0.016 0.000 2.419 190 S HA -0.158 4.315 4.470 0.005 0.000 0.233 190 S C 1.907 176.530 174.600 0.038 0.000 1.016 190 S CA 0.796 58.995 58.200 -0.003 0.000 0.974 190 S CB -0.687 62.525 63.200 0.019 0.000 0.786 190 S HN 0.362 nan 8.310 nan 0.000 0.492 191 I N 1.517 122.158 120.570 0.118 0.000 2.264 191 I HA -0.193 3.980 4.170 0.005 0.000 0.248 191 I C 2.275 178.412 176.117 0.034 0.000 1.111 191 I CA 1.357 62.737 61.300 0.134 0.000 1.382 191 I CB -0.447 37.572 38.000 0.032 0.000 1.060 191 I HN 0.327 nan 8.210 nan 0.000 0.418 192 L N -0.007 121.209 121.223 -0.011 0.000 2.201 192 L HA -0.183 4.160 4.340 0.005 0.000 0.212 192 L C 1.279 178.029 176.870 -0.199 0.000 1.105 192 L CA 0.962 55.789 54.840 -0.022 0.000 0.775 192 L CB -0.593 41.484 42.059 0.031 0.000 0.913 192 L HN 0.266 nan 8.230 nan 0.000 0.440 193 D N -0.083 120.056 120.400 -0.435 0.000 2.319 193 D HA 0.012 4.655 4.640 0.005 0.000 0.230 193 D C 1.487 177.329 176.300 -0.764 0.000 1.094 193 D CA 0.340 53.631 54.000 -1.182 0.000 0.856 193 D CB 0.326 40.610 40.800 -0.861 0.000 0.915 193 D HN 0.203 nan 8.370 nan 0.000 0.517 194 R N -0.001 120.359 120.500 -0.233 0.000 2.531 194 R HA 0.107 4.450 4.340 0.005 0.000 0.316 194 R C 0.754 177.126 176.300 0.119 0.000 0.955 194 R CA -0.035 56.069 56.100 0.007 0.000 1.120 194 R CB 0.477 30.843 30.300 0.110 0.000 1.361 194 R HN 0.096 nan 8.270 nan 0.000 0.534 195 S N -0.359 115.416 115.700 0.126 0.000 2.634 195 S HA 0.237 4.710 4.470 0.005 0.000 0.261 195 S C 1.583 176.287 174.600 0.174 0.000 1.271 195 S CA -0.566 57.716 58.200 0.137 0.000 0.985 195 S CB 0.965 64.225 63.200 0.099 0.000 0.968 195 S HN 0.082 nan 8.310 nan 0.000 0.568 196 L N 0.965 122.261 121.223 0.122 0.000 2.093 196 L HA -0.133 4.210 4.340 0.005 0.000 0.208 196 L C 2.282 179.227 176.870 0.126 0.000 1.085 196 L CA 1.456 56.363 54.840 0.111 0.000 0.755 196 L CB -0.996 41.105 42.059 0.071 0.000 0.904 196 L HN 0.674 nan 8.230 nan 0.000 0.435 197 N N 0.106 118.887 118.700 0.134 0.000 2.069 197 N HA -0.249 4.494 4.740 0.005 0.000 0.191 197 N C 1.625 177.258 175.510 0.205 0.000 1.031 197 N CA 1.400 54.552 53.050 0.170 0.000 0.852 197 N CB -0.517 38.100 38.487 0.217 0.000 1.018 197 N HN 0.191 nan 8.380 nan 0.000 0.423 198 F N 1.381 121.398 119.950 0.112 0.000 2.171 198 F HA -0.030 4.501 4.527 0.006 0.000 0.300 198 F C 2.050 177.902 175.800 0.087 0.000 1.090 198 F CA 1.199 59.262 58.000 0.105 0.000 1.293 198 F CB 0.087 39.144 39.000 0.096 0.000 1.013 198 F HN -0.130 nan 8.300 nan 0.000 0.486 199 R N -0.406 120.233 120.500 0.232 0.000 2.115 199 R HA -0.026 4.317 4.340 0.005 0.000 0.226 199 R C 2.306 178.620 176.300 0.024 0.000 1.100 199 R CA 1.011 57.187 56.100 0.127 0.000 0.980 199 R CB -0.312 30.087 30.300 0.166 0.000 0.875 199 R HN 0.164 nan 8.270 nan 0.000 0.445 200 R N 0.178 120.700 120.500 0.035 0.000 2.062 200 R HA -0.069 4.274 4.340 0.005 0.000 0.231 200 R C -0.068 176.212 176.300 -0.034 0.000 1.136 200 R CA 1.606 57.713 56.100 0.012 0.000 0.948 200 R CB 0.235 30.556 30.300 0.035 0.000 0.845 200 R HN 0.002 nan 8.270 nan 0.000 0.430 201 D N -1.790 118.574 120.400 -0.061 0.000 2.411 201 D HA 0.163 4.806 4.640 0.005 0.000 0.239 201 D C -0.021 176.178 176.300 -0.169 0.000 1.307 201 D CA 0.125 54.062 54.000 -0.105 0.000 0.930 201 D CB 1.173 41.933 40.800 -0.066 0.000 1.395 201 D HN 0.180 nan 8.370 nan 0.000 0.536 202 A N 2.703 125.330 122.820 -0.321 0.000 1.917 202 A HA -0.056 4.267 4.320 0.005 0.000 0.219 202 A C 2.172 179.663 177.584 -0.154 0.000 1.182 202 A CA 2.133 53.833 52.037 -0.561 0.000 0.633 202 A CB -0.386 18.146 19.000 -0.780 0.000 0.819 202 A HN 0.592 nan 8.150 nan 0.000 0.448 203 A N -1.135 121.670 122.820 -0.026 0.000 1.908 203 A HA -0.102 4.221 4.320 0.005 0.000 0.218 203 A C 2.299 179.870 177.584 -0.021 0.000 1.181 203 A CA 2.356 54.410 52.037 0.028 0.000 0.627 203 A CB -1.159 17.784 19.000 -0.095 0.000 0.818 203 A HN 0.454 nan 8.150 nan 0.000 0.445 204 T N -0.698 113.822 114.554 -0.057 0.000 2.942 204 T HA -0.062 4.290 4.350 0.005 0.000 0.265 204 T C 1.614 176.261 174.700 -0.089 0.000 1.062 204 T CA 1.351 63.411 62.100 -0.067 0.000 1.139 204 T CB -0.315 68.515 68.868 -0.063 0.000 0.883 204 T HN 0.717 nan 8.240 nan 0.000 0.468 205 D N 1.224 121.615 120.400 -0.014 0.000 2.084 205 D HA -0.112 4.531 4.640 0.005 0.000 0.194 205 D C 2.048 178.393 176.300 0.076 0.000 0.990 205 D CA 1.043 55.101 54.000 0.096 0.000 0.826 205 D CB -0.276 40.694 40.800 0.283 0.000 0.971 205 D HN 0.130 nan 8.370 nan 0.000 0.453 206 V N 0.745 120.729 119.914 0.116 0.000 2.392 206 V HA -0.220 3.903 4.120 0.005 0.000 0.249 206 V C 2.555 178.661 176.094 0.020 0.000 1.059 206 V CA 1.779 64.140 62.300 0.102 0.000 1.051 206 V CB -0.988 30.894 31.823 0.097 0.000 0.658 206 V HN 0.400 nan 8.190 nan 0.000 0.455 207 A N -0.299 122.509 122.820 -0.020 0.000 1.930 207 A HA -0.163 4.159 4.320 0.005 0.000 0.217 207 A C 2.365 179.901 177.584 -0.080 0.000 1.175 207 A CA 1.980 54.000 52.037 -0.029 0.000 0.627 207 A CB -0.553 18.427 19.000 -0.033 0.000 0.815 207 A HN 0.523 nan 8.150 nan 0.000 0.443 208 S N -0.328 115.230 115.700 -0.236 0.000 2.555 208 S HA -0.024 4.449 4.470 0.005 0.000 0.230 208 S C 1.466 175.941 174.600 -0.209 0.000 0.978 208 S CA 0.347 58.284 58.200 -0.437 0.000 0.934 208 S CB -0.225 62.228 63.200 -1.245 0.000 0.766 208 S HN 0.574 nan 8.310 nan 0.000 0.533 209 R N 2.089 122.582 120.500 -0.012 0.000 2.369 209 R HA 0.015 4.358 4.340 0.005 0.000 0.200 209 R C 1.292 177.682 176.300 0.150 0.000 1.046 209 R CA 0.821 57.016 56.100 0.158 0.000 1.057 209 R CB -0.601 29.773 30.300 0.124 0.000 0.888 209 R HN 0.701 nan 8.270 nan 0.000 0.474 210 N N -0.747 118.033 118.700 0.134 0.000 2.280 210 N HA -0.052 4.691 4.740 0.005 0.000 0.192 210 N C -0.306 175.368 175.510 0.273 0.000 1.109 210 N CA -0.234 52.924 53.050 0.180 0.000 0.855 210 N CB 0.450 39.015 38.487 0.131 0.000 0.974 210 N HN -0.113 nan 8.380 nan 0.000 0.482 211 D N 1.300 121.847 120.400 0.244 0.000 2.414 211 D HA 0.204 4.847 4.640 0.005 0.000 0.232 211 D C -1.613 174.731 176.300 0.073 0.000 1.070 211 D CA -2.601 51.486 54.000 0.146 0.000 0.839 211 D CB 1.914 42.775 40.800 0.101 0.000 1.079 211 D HN -0.012 nan 8.370 nan 0.000 0.521 212 P HA -0.147 nan 4.420 nan 0.000 0.220 212 P C 0.895 177.704 177.300 -0.818 0.000 1.148 212 P CA 0.861 63.505 63.100 -0.760 0.000 0.803 212 P CB 0.679 31.630 31.700 -1.249 0.000 0.782 213 K N -0.845 119.158 120.400 -0.663 0.000 2.001 213 K HA -0.175 4.148 4.320 0.005 0.000 0.208 213 K C 2.430 178.957 176.600 -0.121 0.000 1.048 213 K CA 1.365 57.452 56.287 -0.333 0.000 0.932 213 K CB -0.828 31.654 32.500 -0.030 0.000 0.715 213 K HN 0.113 nan 8.250 nan 0.000 0.437 214 Y N 2.054 122.276 120.300 -0.131 0.000 2.089 214 Y HA -0.272 4.284 4.550 0.010 0.000 0.282 214 Y C 2.152 178.023 175.900 -0.049 0.000 1.139 214 Y CA 1.275 59.331 58.100 -0.073 0.000 1.123 214 Y CB -0.453 38.004 38.460 -0.005 0.000 0.980 214 Y HN -0.251 nan 8.280 nan 0.000 0.493 215 V N 0.385 120.363 119.914 0.107 0.000 2.282 215 V HA -0.345 3.778 4.120 0.005 0.000 0.249 215 V C 2.618 178.682 176.094 -0.050 0.000 1.057 215 V CA 2.067 64.410 62.300 0.072 0.000 1.032 215 V CB -1.686 30.306 31.823 0.281 0.000 0.645 215 V HN 0.675 nan 8.190 nan 0.000 0.447 216 G N -0.573 108.180 108.800 -0.078 0.000 2.446 216 G HA2 -0.337 3.626 3.960 0.005 0.000 0.217 216 G HA3 -0.337 3.626 3.960 0.005 0.000 0.217 216 G C 1.716 176.573 174.900 -0.072 0.000 1.168 216 G CA 1.090 46.174 45.100 -0.026 0.000 0.771 216 G HN 0.457 nan 8.290 nan 0.000 0.551 217 R N -0.281 120.115 120.500 -0.174 0.000 2.096 217 R HA -0.007 4.336 4.340 0.005 0.000 0.235 217 R C 2.647 178.803 176.300 -0.240 0.000 1.127 217 R CA 1.259 57.210 56.100 -0.249 0.000 0.968 217 R CB -0.348 29.692 30.300 -0.433 0.000 0.861 217 R HN 0.252 nan 8.270 nan 0.000 0.440 218 V N 1.217 120.947 119.914 -0.307 0.000 2.295 218 V HA -0.254 3.869 4.120 0.005 0.000 0.246 218 V C 2.307 178.326 176.094 -0.124 0.000 1.049 218 V CA 1.729 63.876 62.300 -0.256 0.000 1.024 218 V CB -0.368 31.261 31.823 -0.324 0.000 0.648 218 V HN 0.357 nan 8.190 nan 0.000 0.447 219 L N 0.797 121.968 121.223 -0.087 0.000 2.083 219 L HA -0.170 4.173 4.340 0.005 0.000 0.209 219 L C 2.722 179.575 176.870 -0.028 0.000 1.083 219 L CA 1.819 56.635 54.840 -0.040 0.000 0.752 219 L CB -0.755 41.301 42.059 -0.004 0.000 0.899 219 L HN 0.579 nan 8.230 nan 0.000 0.433 220 S N -0.148 115.534 115.700 -0.030 0.000 2.419 220 S HA -0.151 4.322 4.470 0.005 0.000 0.233 220 S C 2.009 176.604 174.600 -0.009 0.000 1.016 220 S CA 0.902 59.097 58.200 -0.008 0.000 0.974 220 S CB -0.232 62.956 63.200 -0.021 0.000 0.786 220 S HN 0.375 nan 8.310 nan 0.000 0.492 221 A N 1.706 124.509 122.820 -0.030 0.000 1.887 221 A HA 0.364 4.686 4.320 0.005 0.000 0.212 221 A C 2.217 179.806 177.584 0.009 0.000 1.198 221 A CA 0.999 53.034 52.037 -0.003 0.000 0.628 221 A CB -0.500 18.484 19.000 -0.025 0.000 0.847 221 A HN 0.463 nan 8.150 nan 0.000 0.449 222 M N 0.176 119.764 119.600 -0.019 0.000 2.632 222 M HA 0.046 4.529 4.480 0.005 0.000 0.256 222 M C 1.351 177.584 176.300 -0.112 0.000 1.080 222 M CA 0.699 55.975 55.300 -0.040 0.000 1.084 222 M CB -0.765 31.809 32.600 -0.044 0.000 1.439 222 M HN 0.282 nan 8.290 nan 0.000 0.509 223 I N 0.452 120.985 120.570 -0.062 0.000 2.876 223 I HA -0.109 4.064 4.170 0.005 0.000 0.264 223 I C 0.542 176.693 176.117 0.057 0.000 1.204 223 I CA 0.434 61.695 61.300 -0.066 0.000 1.485 223 I CB -1.229 36.785 38.000 0.023 0.000 1.103 223 I HN 0.322 nan 8.210 nan 0.000 0.446 224 N N -0.384 118.390 118.700 0.124 0.000 2.443 224 N HA 0.072 4.815 4.740 0.005 0.000 0.295 224 N C 0.695 176.275 175.510 0.116 0.000 1.076 224 N CA -0.223 52.967 53.050 0.234 0.000 0.919 224 N CB 0.913 39.459 38.487 0.099 0.000 1.176 224 N HN -0.054 nan 8.380 nan 0.000 0.487 225 S N 0.261 116.041 115.700 0.133 0.000 2.607 225 S HA -0.018 4.455 4.470 0.005 0.000 0.224 225 S C 0.071 174.742 174.600 0.118 0.000 0.969 225 S CA -0.536 57.736 58.200 0.120 0.000 0.927 225 S CB -0.927 62.351 63.200 0.130 0.000 0.772 225 S HN 0.620 nan 8.310 nan 0.000 0.533 226 N N 2.670 121.428 118.700 0.098 0.000 2.492 226 N HA 0.047 4.790 4.740 0.005 0.000 0.262 226 N C -0.271 175.340 175.510 0.170 0.000 1.202 226 N CA 0.636 53.752 53.050 0.110 0.000 0.926 226 N CB 0.443 38.944 38.487 0.024 0.000 1.078 226 N HN 0.241 nan 8.380 nan 0.000 0.454 227 D N 0.448 120.950 120.400 0.170 0.000 2.382 227 D HA -0.227 4.416 4.640 0.005 0.000 0.163 227 D C 0.132 176.501 176.300 0.116 0.000 1.469 227 D CA 2.072 56.158 54.000 0.144 0.000 1.338 227 D CB -0.854 40.036 40.800 0.150 0.000 1.241 227 D HN 0.814 nan 8.370 nan 0.000 0.441 228 D N -0.651 119.822 120.400 0.122 0.000 2.562 228 D HA 0.213 4.856 4.640 0.005 0.000 0.246 228 D C -0.179 176.212 176.300 0.152 0.000 1.347 228 D CA 0.118 54.191 54.000 0.122 0.000 0.800 228 D CB -0.861 40.006 40.800 0.112 0.000 1.111 228 D HN 0.438 nan 8.370 nan 0.000 0.508 229 N N -0.327 118.470 118.700 0.162 0.000 2.815 229 N HA -0.116 4.627 4.740 0.005 0.000 0.249 229 N C 0.804 176.514 175.510 0.332 0.000 1.114 229 N CA 0.126 53.307 53.050 0.219 0.000 0.717 229 N CB -1.193 37.408 38.487 0.191 0.000 1.074 229 N HN 0.444 nan 8.380 nan 0.000 0.555 230 G N -0.003 108.919 108.800 0.203 0.000 2.593 230 G HA2 0.223 4.186 3.960 0.005 0.000 0.279 230 G HA3 0.223 4.186 3.960 0.005 0.000 0.279 230 G C 1.221 176.082 174.900 -0.065 0.000 1.329 230 G CA 0.167 45.310 45.100 0.071 0.000 1.036 230 G HN 0.054 nan 8.290 nan 0.000 0.555 231 V N -0.344 119.274 119.914 -0.494 0.000 2.273 231 V HA 0.098 4.221 4.120 0.005 0.000 0.242 231 V C 1.266 177.177 176.094 -0.305 0.000 1.035 231 V CA 1.063 62.877 62.300 -0.809 0.000 1.013 231 V CB -0.733 30.514 31.823 -0.959 0.000 0.652 231 V HN 0.294 nan 8.190 nan 0.000 0.452 232 L N 0.466 121.561 121.223 -0.214 0.000 2.309 232 L HA 0.673 5.016 4.340 0.005 0.000 0.282 232 L C -0.056 176.836 176.870 0.037 0.000 1.036 232 L CA -0.316 54.392 54.840 -0.221 0.000 0.806 232 L CB 1.364 43.021 42.059 -0.670 0.000 1.220 232 L HN 0.204 nan 8.230 nan 0.000 0.429 233 A N 2.456 125.288 122.820 0.019 0.000 2.249 233 A HA 0.653 4.976 4.320 0.005 0.000 0.314 233 A C 0.339 178.075 177.584 0.253 0.000 1.290 233 A CA -0.343 51.800 52.037 0.176 0.000 0.893 233 A CB 0.559 19.649 19.000 0.150 0.000 1.165 233 A HN 0.758 nan 8.150 nan 0.000 0.530 234 G N 1.028 110.058 108.800 0.384 0.000 2.527 234 G HA2 0.429 4.392 3.960 0.005 0.000 0.248 234 G HA3 0.429 4.392 3.960 0.005 0.000 0.248 234 G C -0.210 174.722 174.900 0.054 0.000 1.231 234 G CA -0.408 44.813 45.100 0.202 0.000 0.838 234 G HN 0.893 nan 8.290 nan 0.000 0.570 235 N N 0.306 118.794 118.700 -0.353 0.000 2.616 235 N HA 0.135 4.878 4.740 0.005 0.000 0.281 235 N C -0.718 174.676 175.510 -0.193 0.000 1.145 235 N CA -0.730 52.235 53.050 -0.140 0.000 0.919 235 N CB 1.059 39.358 38.487 -0.313 0.000 1.509 235 N HN 0.604 nan 8.380 nan 0.000 0.537 236 W N 2.938 124.278 121.300 0.066 0.000 2.390 236 W HA 0.160 4.809 4.660 -0.018 0.000 0.397 236 W C 1.170 177.690 176.519 0.002 0.000 0.839 236 W CA -0.309 57.050 57.345 0.022 0.000 2.576 236 W CB 0.642 29.994 29.460 -0.181 0.000 1.346 236 W HN 0.586 nan 8.180 nan 0.000 0.708 237 S N -1.199 114.597 115.700 0.159 0.000 2.503 237 S HA 0.259 4.732 4.470 0.005 0.000 0.215 237 S C 1.673 176.230 174.600 -0.072 0.000 1.003 237 S CA 0.840 59.048 58.200 0.014 0.000 0.910 237 S CB 0.487 63.645 63.200 -0.069 0.000 0.790 237 S HN 0.349 nan 8.310 nan 0.000 0.514 238 G N 0.183 108.886 108.800 -0.161 0.000 2.175 238 G HA2 -0.177 3.786 3.960 0.005 0.000 0.244 238 G HA3 -0.177 3.786 3.960 0.005 0.000 0.244 238 G C 0.095 174.584 174.900 -0.685 0.000 0.982 238 G CA 0.202 45.167 45.100 -0.226 0.000 0.641 238 G HN 0.714 nan 8.290 nan 0.000 0.527 239 T N 0.341 114.271 114.554 -1.039 0.000 2.890 239 T HA 0.540 4.893 4.350 0.005 0.000 0.295 239 T C -0.648 173.468 174.700 -0.974 0.000 0.993 239 T CA -0.360 61.258 62.100 -0.802 0.000 0.979 239 T CB 0.928 69.591 68.868 -0.341 0.000 0.967 239 T HN 0.232 nan 8.240 nan 0.000 0.441 240 Y N 1.172 121.436 120.300 -0.060 0.000 2.734 240 Y HA 0.263 4.821 4.550 0.012 0.000 0.278 240 Y C 1.605 177.611 175.900 0.175 0.000 1.108 240 Y CA -1.248 56.834 58.100 -0.029 0.000 1.211 240 Y CB -0.523 37.978 38.460 0.067 0.000 1.182 240 Y HN 0.609 nan 8.280 nan 0.000 0.547 241 T N -1.831 112.806 114.554 0.138 0.000 2.932 241 T HA 0.380 4.733 4.350 0.005 0.000 0.312 241 T C 1.415 176.260 174.700 0.242 0.000 1.071 241 T CA 0.716 62.903 62.100 0.144 0.000 1.128 241 T CB 1.053 69.957 68.868 0.062 0.000 0.984 241 T HN 0.956 nan 8.240 nan 0.000 0.549 242 G N 1.035 109.936 108.800 0.167 0.000 2.157 242 G HA2 0.197 4.160 3.960 0.005 0.000 0.248 242 G HA3 0.197 4.160 3.960 0.005 0.000 0.248 242 G C 0.514 175.456 174.900 0.071 0.000 0.979 242 G CA 0.130 45.312 45.100 0.137 0.000 0.650 242 G HN 1.802 nan 8.290 nan 0.000 0.529 243 G N -1.294 107.579 108.800 0.122 0.000 2.588 243 G HA2 0.642 4.605 3.960 0.005 0.000 0.281 243 G HA3 0.642 4.605 3.960 0.005 0.000 0.281 243 G C -1.060 173.867 174.900 0.045 0.000 1.223 243 G CA -0.494 44.581 45.100 -0.042 0.000 0.871 243 G HN 0.486 nan 8.290 nan 0.000 0.492 244 R N 0.348 120.843 120.500 -0.008 0.000 2.711 244 R HA 0.385 4.728 4.340 0.005 0.000 0.284 244 R C -1.249 174.992 176.300 -0.099 0.000 0.968 244 R CA -0.831 55.177 56.100 -0.153 0.000 0.924 244 R CB 2.098 32.047 30.300 -0.584 0.000 1.162 244 R HN 0.533 nan 8.270 nan 0.000 0.465 245 D N 3.057 123.374 120.400 -0.138 0.000 2.450 245 D HA 0.003 4.646 4.640 0.005 0.000 0.247 245 D C -1.579 174.508 176.300 -0.354 0.000 1.162 245 D CA -1.642 52.202 54.000 -0.260 0.000 0.879 245 D CB 1.344 42.135 40.800 -0.015 0.000 1.163 245 D HN 0.161 nan 8.370 nan 0.000 0.472 246 P HA -0.151 nan 4.420 nan 0.000 0.217 246 P C 1.140 178.581 177.300 0.235 0.000 1.151 246 P CA 1.095 64.118 63.100 -0.128 0.000 0.849 246 P CB 0.227 31.687 31.700 -0.399 0.000 0.787 247 R N -0.475 120.179 120.500 0.256 0.000 2.280 247 R HA 0.003 4.346 4.340 0.005 0.000 0.207 247 R C 2.136 178.561 176.300 0.208 0.000 1.043 247 R CA 1.414 57.756 56.100 0.404 0.000 1.006 247 R CB -1.061 29.394 30.300 0.257 0.000 0.885 247 R HN 0.357 nan 8.270 nan 0.000 0.467 248 S N -0.875 114.825 115.700 -0.001 0.000 2.470 248 S HA -0.060 4.413 4.470 0.005 0.000 0.225 248 S C 0.568 175.104 174.600 -0.107 0.000 1.006 248 S CA -0.446 57.679 58.200 -0.124 0.000 0.934 248 S CB -0.204 62.822 63.200 -0.290 0.000 0.778 248 S HN 0.237 nan 8.310 nan 0.000 0.517 249 W N 2.027 123.364 121.300 0.062 0.000 2.148 249 W HA 0.318 4.987 4.660 0.016 0.000 0.347 249 W C 0.807 177.254 176.519 -0.121 0.000 1.288 249 W CA -0.472 56.853 57.345 -0.034 0.000 1.252 249 W CB 0.391 29.876 29.460 0.042 0.000 1.156 249 W HN 0.157 nan 8.180 nan 0.000 0.580 250 D N 0.500 120.824 120.400 -0.126 0.000 2.500 250 D HA 0.228 4.871 4.640 0.005 0.000 0.218 250 D C 0.624 176.313 176.300 -1.019 0.000 1.140 250 D CA 0.310 54.089 54.000 -0.367 0.000 0.830 250 D CB 1.019 41.695 40.800 -0.208 0.000 1.055 250 D HN 0.461 nan 8.370 nan 0.000 0.512 251 G N -0.670 107.314 108.800 -1.359 0.000 2.548 251 G HA2 0.281 4.243 3.960 0.005 0.000 0.301 251 G HA3 0.281 4.243 3.960 0.005 0.000 0.301 251 G C 0.020 174.384 174.900 -0.893 0.000 1.349 251 G CA -0.214 43.892 45.100 -1.658 0.000 0.792 251 G HN -0.143 nan 8.290 nan 0.000 0.481 252 S N -0.804 114.720 115.700 -0.294 0.000 2.501 252 S HA 0.032 4.504 4.470 0.005 0.000 0.220 252 S C 2.417 176.983 174.600 -0.057 0.000 0.997 252 S CA 0.736 58.966 58.200 0.051 0.000 0.919 252 S CB 0.247 63.627 63.200 0.299 0.000 0.778 252 S HN 0.407 nan 8.310 nan 0.000 0.523 253 V N 2.483 122.347 119.914 -0.084 0.000 2.237 253 V HA -0.151 3.972 4.120 0.005 0.000 0.245 253 V C 2.525 178.599 176.094 -0.034 0.000 1.046 253 V CA 1.608 63.886 62.300 -0.038 0.000 1.007 253 V CB -0.541 31.263 31.823 -0.032 0.000 0.638 253 V HN 0.358 nan 8.190 nan 0.000 0.445 254 E N -0.065 120.110 120.200 -0.041 0.000 2.153 254 E HA -0.153 4.200 4.350 0.005 0.000 0.194 254 E C 2.112 178.697 176.600 -0.025 0.000 0.988 254 E CA 1.251 57.667 56.400 0.028 0.000 0.811 254 E CB -0.326 29.468 29.700 0.156 0.000 0.746 254 E HN 0.609 nan 8.360 nan 0.000 0.466 255 I N 0.534 120.971 120.570 -0.222 0.000 2.163 255 I HA -0.271 3.901 4.170 0.005 0.000 0.240 255 I C 2.424 178.473 176.117 -0.113 0.000 1.081 255 I CA 0.944 62.027 61.300 -0.362 0.000 1.353 255 I CB -0.335 37.305 38.000 -0.600 0.000 1.054 255 I HN 0.048 nan 8.210 nan 0.000 0.407 256 L N 0.448 121.638 121.223 -0.056 0.000 2.083 256 L HA -0.192 4.151 4.340 0.005 0.000 0.209 256 L C 2.526 179.489 176.870 0.156 0.000 1.083 256 L CA 1.422 56.302 54.840 0.068 0.000 0.752 256 L CB -0.517 41.572 42.059 0.050 0.000 0.899 256 L HN 0.171 nan 8.230 nan 0.000 0.433 257 K N -0.359 120.093 120.400 0.086 0.000 2.155 257 K HA -0.087 4.236 4.320 0.005 0.000 0.203 257 K C 1.802 178.452 176.600 0.083 0.000 1.052 257 K CA 0.952 57.287 56.287 0.081 0.000 0.948 257 K CB -0.126 32.406 32.500 0.053 0.000 0.728 257 K HN 0.240 nan 8.250 nan 0.000 0.448 258 N N 0.328 119.083 118.700 0.091 0.000 2.216 258 N HA -0.156 4.587 4.740 0.005 0.000 0.183 258 N C 1.227 176.813 175.510 0.126 0.000 1.017 258 N CA 0.783 53.890 53.050 0.095 0.000 0.861 258 N CB -0.292 38.262 38.487 0.112 0.000 0.986 258 N HN 0.270 nan 8.380 nan 0.000 0.428 259 W N 2.552 123.825 121.300 -0.046 0.000 2.333 259 W HA -0.139 4.536 4.660 0.025 0.000 0.316 259 W C 2.347 178.848 176.519 -0.029 0.000 1.215 259 W CA 1.714 59.032 57.345 -0.045 0.000 1.278 259 W CB -0.444 28.983 29.460 -0.056 0.000 1.154 259 W HN -0.025 nan 8.180 nan 0.000 0.486 260 K N 0.718 121.113 120.400 -0.007 0.000 2.002 260 K HA -0.268 4.055 4.320 0.005 0.000 0.209 260 K C 2.271 178.772 176.600 -0.165 0.000 1.048 260 K CA 2.019 58.182 56.287 -0.206 0.000 0.930 260 K CB -0.633 31.841 32.500 -0.044 0.000 0.714 260 K HN 0.077 nan 8.250 nan 0.000 0.438 261 K N 0.614 120.976 120.400 -0.064 0.000 2.281 261 K HA -0.089 4.234 4.320 0.005 0.000 0.203 261 K C 1.208 177.769 176.600 -0.065 0.000 1.046 261 K CA 1.606 57.863 56.287 -0.050 0.000 0.938 261 K CB -0.032 32.462 32.500 -0.010 0.000 0.737 261 K HN 0.276 nan 8.250 nan 0.000 0.458 262 S N -1.049 114.601 115.700 -0.084 0.000 2.582 262 S HA 0.209 4.682 4.470 0.005 0.000 0.234 262 S C 0.741 175.265 174.600 -0.128 0.000 0.961 262 S CA 0.009 58.163 58.200 -0.077 0.000 0.953 262 S CB 0.523 63.702 63.200 -0.035 0.000 0.800 262 S HN 0.411 nan 8.310 nan 0.000 0.471 263 G N 1.963 110.652 108.800 -0.186 0.000 2.246 263 G HA2 -0.243 3.720 3.960 0.005 0.000 0.273 263 G HA3 -0.243 3.720 3.960 0.005 0.000 0.273 263 G C 0.339 175.052 174.900 -0.311 0.000 1.055 263 G CA -0.124 44.849 45.100 -0.213 0.000 0.851 263 G HN 1.212 nan 8.290 nan 0.000 0.500 264 L N -2.055 118.836 121.223 -0.554 0.000 3.717 264 L HA -0.191 4.152 4.340 0.005 0.000 0.411 264 L C 0.741 177.437 176.870 -0.290 0.000 1.233 264 L CA 0.721 55.024 54.840 -0.895 0.000 0.917 264 L CB -2.258 39.316 42.059 -0.808 0.000 1.902 264 L HN 0.454 nan 8.230 nan 0.000 0.894 265 S N -0.439 115.187 115.700 -0.123 0.000 2.554 265 S HA 0.516 4.989 4.470 0.005 0.000 0.278 265 S C -1.874 172.830 174.600 0.173 0.000 1.242 265 S CA -1.030 57.192 58.200 0.037 0.000 1.051 265 S CB 1.463 64.667 63.200 0.006 0.000 0.986 265 S HN 0.036 nan 8.310 nan 0.000 0.502 266 P HA -0.020 nan 4.420 nan 0.000 0.263 266 P C -1.014 176.333 177.300 0.079 0.000 1.168 266 P CA 0.027 63.219 63.100 0.153 0.000 0.759 266 P CB 0.269 32.028 31.700 0.097 0.000 0.782 267 V N 5.701 125.637 119.914 0.037 0.000 2.406 267 V HA 0.236 4.359 4.120 0.005 0.000 0.272 267 V C 0.805 176.835 176.094 -0.107 0.000 1.043 267 V CA -0.079 62.209 62.300 -0.021 0.000 0.915 267 V CB 0.487 32.246 31.823 -0.107 0.000 0.988 267 V HN 0.438 nan 8.190 nan 0.000 0.466 268 R N 4.625 125.015 120.500 -0.183 0.000 2.295 268 R HA 0.664 5.007 4.340 0.005 0.000 0.324 268 R C -1.468 174.689 176.300 -0.239 0.000 0.968 268 R CA -0.408 55.326 56.100 -0.610 0.000 0.837 268 R CB 1.450 30.959 30.300 -1.318 0.000 1.133 268 R HN 0.643 nan 8.270 nan 0.000 0.450 269 Y N -0.265 120.129 120.300 0.157 0.000 2.669 269 Y HA 0.726 5.276 4.550 -0.000 0.000 0.335 269 Y C 0.702 176.541 175.900 -0.102 0.000 1.116 269 Y CA -0.974 57.120 58.100 -0.010 0.000 1.081 269 Y CB 2.358 40.778 38.460 -0.066 0.000 1.297 269 Y HN 0.659 nan 8.280 nan 0.000 0.484 270 G N -0.187 108.490 108.800 -0.205 0.000 2.680 270 G HA2 0.703 4.666 3.960 0.005 0.000 0.290 270 G HA3 0.703 4.666 3.960 0.005 0.000 0.290 270 G C -1.845 172.653 174.900 -0.670 0.000 1.355 270 G CA -0.721 44.034 45.100 -0.575 0.000 0.903 270 G HN 0.451 nan 8.290 nan 0.000 0.474 271 Q N -1.530 117.816 119.800 -0.757 0.000 2.605 271 Q HA 0.283 4.626 4.340 0.005 0.000 0.296 271 Q C 1.623 177.646 176.000 0.039 0.000 1.056 271 Q CA -0.537 54.935 55.803 -0.552 0.000 0.778 271 Q CB 2.294 30.566 28.738 -0.776 0.000 1.497 271 Q HN 0.866 nan 8.270 nan 0.000 0.443 272 C N -0.538 119.186 119.300 0.705 0.000 2.375 272 C HA -0.190 4.273 4.460 0.005 0.000 0.274 272 C C 2.072 177.282 174.990 0.367 0.000 1.190 272 C CA 1.633 61.090 59.018 0.733 0.000 1.775 272 C CB -1.691 26.646 27.740 0.995 0.000 2.067 272 C HN 1.014 nan 8.230 nan 0.000 0.463 273 W N 1.996 123.438 121.300 0.237 0.000 2.425 273 W HA 0.147 4.772 4.660 -0.057 0.000 0.277 273 W C 1.800 178.121 176.519 -0.331 0.000 1.231 273 W CA 1.195 58.504 57.345 -0.061 0.000 1.248 273 W CB -1.135 28.265 29.460 -0.101 0.000 1.117 273 W HN 0.211 nan 8.180 nan 0.000 0.568 274 V N 1.094 120.473 119.914 -0.892 0.000 2.358 274 V HA -0.265 3.858 4.120 0.005 0.000 0.246 274 V C 2.176 177.979 176.094 -0.486 0.000 1.047 274 V CA 1.781 63.622 62.300 -0.765 0.000 1.035 274 V CB -1.156 30.201 31.823 -0.776 0.000 0.658 274 V HN 0.124 nan 8.190 nan 0.000 0.452 275 F N 1.021 120.812 119.950 -0.264 0.000 2.146 275 F HA -0.054 4.448 4.527 -0.042 0.000 0.298 275 F C 2.492 178.234 175.800 -0.096 0.000 1.096 275 F CA 1.422 59.346 58.000 -0.127 0.000 1.275 275 F CB -0.865 38.127 39.000 -0.012 0.000 1.008 275 F HN 0.083 nan 8.300 nan 0.000 0.480 276 A N 0.205 123.083 122.820 0.095 0.000 1.930 276 A HA -0.005 4.318 4.320 0.005 0.000 0.217 276 A C 2.528 180.087 177.584 -0.041 0.000 1.175 276 A CA 1.640 53.702 52.037 0.041 0.000 0.627 276 A CB -1.548 17.475 19.000 0.038 0.000 0.815 276 A HN 0.395 nan 8.150 nan 0.000 0.443 277 G N -1.004 107.636 108.800 -0.266 0.000 2.402 277 G HA2 -0.129 3.834 3.960 0.005 0.000 0.216 277 G HA3 -0.129 3.834 3.960 0.005 0.000 0.216 277 G C 1.554 176.575 174.900 0.202 0.000 1.162 277 G CA 1.609 46.530 45.100 -0.299 0.000 0.777 277 G HN 0.426 nan 8.290 nan 0.000 0.539 278 T N 1.070 115.691 114.554 0.111 0.000 2.821 278 T HA -0.088 4.265 4.350 0.005 0.000 0.267 278 T C 2.204 176.946 174.700 0.070 0.000 1.046 278 T CA 1.095 63.266 62.100 0.119 0.000 1.139 278 T CB -0.147 68.696 68.868 -0.041 0.000 0.871 278 T HN 0.140 nan 8.240 nan 0.000 0.454 279 L N 1.921 123.176 121.223 0.053 0.000 2.056 279 L HA 0.092 4.435 4.340 0.005 0.000 0.207 279 L C 2.027 178.919 176.870 0.036 0.000 1.078 279 L CA 1.638 56.506 54.840 0.046 0.000 0.749 279 L CB -0.963 41.137 42.059 0.068 0.000 0.901 279 L HN 0.202 nan 8.230 nan 0.000 0.433 280 N N -1.376 117.335 118.700 0.019 0.000 2.205 280 N HA -0.197 4.546 4.740 0.005 0.000 0.186 280 N C 1.435 176.857 175.510 -0.147 0.000 1.015 280 N CA 1.776 54.759 53.050 -0.111 0.000 0.862 280 N CB 0.147 38.476 38.487 -0.264 0.000 0.986 280 N HN 0.466 nan 8.380 nan 0.000 0.429 281 T N 0.470 115.034 114.554 0.017 0.000 2.737 281 T HA -0.012 4.340 4.350 0.005 0.000 0.265 281 T C 1.955 176.677 174.700 0.038 0.000 1.038 281 T CA 1.172 63.307 62.100 0.058 0.000 1.144 281 T CB -0.275 68.706 68.868 0.187 0.000 0.866 281 T HN 0.365 nan 8.240 nan 0.000 0.434 282 A N 1.337 124.186 122.820 0.048 0.000 1.877 282 A HA 0.016 4.339 4.320 0.005 0.000 0.216 282 A C 2.318 179.953 177.584 0.085 0.000 1.186 282 A CA 1.187 53.259 52.037 0.058 0.000 0.620 282 A CB -0.917 18.104 19.000 0.035 0.000 0.822 282 A HN 0.451 nan 8.150 nan 0.000 0.443 283 L N -1.085 120.181 121.223 0.071 0.000 2.012 283 L HA -0.233 4.110 4.340 0.005 0.000 0.210 283 L C 2.936 179.879 176.870 0.122 0.000 1.073 283 L CA 1.763 56.666 54.840 0.105 0.000 0.748 283 L CB -0.536 41.577 42.059 0.090 0.000 0.891 283 L HN 0.375 nan 8.230 nan 0.000 0.431 284 R N -0.185 120.347 120.500 0.053 0.000 2.096 284 R HA -0.140 4.203 4.340 0.005 0.000 0.235 284 R C 2.633 179.027 176.300 0.156 0.000 1.127 284 R CA 1.631 57.771 56.100 0.067 0.000 0.968 284 R CB -0.417 29.842 30.300 -0.069 0.000 0.861 284 R HN 0.500 nan 8.270 nan 0.000 0.440 285 S N 0.753 116.539 115.700 0.143 0.000 2.382 285 S HA -0.103 4.370 4.470 0.005 0.000 0.228 285 S C 1.833 176.618 174.600 0.309 0.000 1.027 285 S CA 0.923 59.288 58.200 0.275 0.000 0.991 285 S CB -0.150 63.172 63.200 0.203 0.000 0.823 285 S HN 0.088 nan 8.310 nan 0.000 0.469 286 L N 1.584 122.963 121.223 0.260 0.000 2.395 286 L HA 0.340 4.683 4.340 0.005 0.000 0.218 286 L C 2.019 179.161 176.870 0.454 0.000 1.130 286 L CA 1.103 56.125 54.840 0.302 0.000 0.826 286 L CB -1.180 41.080 42.059 0.334 0.000 0.941 286 L HN 0.717 nan 8.230 nan 0.000 0.451 287 G N -0.739 108.319 108.800 0.432 0.000 2.154 287 G HA2 -0.212 3.751 3.960 0.005 0.000 0.186 287 G HA3 -0.212 3.751 3.960 0.005 0.000 0.186 287 G C 0.307 175.427 174.900 0.366 0.000 1.000 287 G CA -0.244 45.138 45.100 0.470 0.000 0.664 287 G HN 0.232 nan 8.290 nan 0.000 0.513 288 I N 2.106 122.832 120.570 0.260 0.000 2.297 288 I HA 0.266 4.439 4.170 0.005 0.000 0.291 288 I C -2.016 174.209 176.117 0.181 0.000 1.033 288 I CA -2.328 59.057 61.300 0.142 0.000 1.253 288 I CB 1.460 39.502 38.000 0.070 0.000 1.396 288 I HN -0.159 nan 8.210 nan 0.000 0.476 289 P HA -0.045 nan 4.420 nan 0.000 0.260 289 P C -0.544 176.903 177.300 0.244 0.000 1.172 289 P CA 0.505 63.699 63.100 0.157 0.000 0.760 289 P CB 0.553 32.265 31.700 0.020 0.000 0.773 290 S N 2.697 118.523 115.700 0.209 0.000 2.556 290 S HA 0.791 5.264 4.470 0.005 0.000 0.271 290 S C -1.200 173.398 174.600 -0.004 0.000 1.135 290 S CA -0.815 57.473 58.200 0.147 0.000 0.858 290 S CB 1.081 64.329 63.200 0.081 0.000 1.114 290 S HN 0.508 nan 8.310 nan 0.000 0.468 291 R N 0.747 121.159 120.500 -0.147 0.000 2.764 291 R HA 0.774 5.117 4.340 0.005 0.000 0.270 291 R C -1.897 174.319 176.300 -0.140 0.000 1.014 291 R CA -0.963 55.033 56.100 -0.174 0.000 0.904 291 R CB 0.793 30.865 30.300 -0.380 0.000 1.236 291 R HN 0.347 nan 8.270 nan 0.000 0.466 292 V N 2.450 122.331 119.914 -0.056 0.000 2.427 292 V HA 0.421 4.544 4.120 0.005 0.000 0.286 292 V C -0.092 175.924 176.094 -0.129 0.000 1.034 292 V CA -0.764 61.505 62.300 -0.052 0.000 0.893 292 V CB 1.436 33.281 31.823 0.036 0.000 0.982 292 V HN 0.519 nan 8.190 nan 0.000 0.452 293 I N 3.490 123.900 120.570 -0.266 0.000 2.474 293 I HA 0.491 4.664 4.170 0.005 0.000 0.294 293 I C 0.152 175.877 176.117 -0.653 0.000 1.005 293 I CA -0.189 60.830 61.300 -0.469 0.000 1.113 293 I CB 1.987 39.592 38.000 -0.659 0.000 1.289 293 I HN 0.527 nan 8.210 nan 0.000 0.436 294 T N 4.776 119.018 114.554 -0.521 0.000 2.809 294 T HA 0.277 4.630 4.350 0.005 0.000 0.284 294 T C -0.191 174.156 174.700 -0.588 0.000 0.992 294 T CA -0.564 61.216 62.100 -0.533 0.000 0.957 294 T CB 0.984 69.635 68.868 -0.362 0.000 0.942 294 T HN 0.454 nan 8.240 nan 0.000 0.439 295 N N 2.682 120.983 118.700 -0.665 0.000 2.469 295 N HA 0.424 5.167 4.740 0.005 0.000 0.253 295 N C -1.242 174.172 175.510 -0.161 0.000 0.970 295 N CA -0.697 52.109 53.050 -0.407 0.000 0.940 295 N CB 0.206 38.406 38.487 -0.479 0.000 1.128 295 N HN 0.313 nan 8.380 nan 0.000 0.503 296 F N 2.459 122.454 119.950 0.074 0.000 2.412 296 F HA 0.277 4.821 4.527 0.028 0.000 0.348 296 F C 0.935 176.829 175.800 0.156 0.000 1.102 296 F CA -0.375 57.746 58.000 0.202 0.000 1.196 296 F CB 0.599 39.727 39.000 0.212 0.000 1.144 296 F HN 0.483 nan 8.300 nan 0.000 0.541 297 N N 0.588 119.504 118.700 0.360 0.000 2.771 297 N HA -0.220 4.523 4.740 0.005 0.000 0.249 297 N C -0.598 175.010 175.510 0.163 0.000 1.069 297 N CA 0.447 53.643 53.050 0.244 0.000 0.688 297 N CB -1.266 37.334 38.487 0.189 0.000 0.928 297 N HN 0.423 nan 8.380 nan 0.000 0.551 298 S N -0.383 115.419 115.700 0.170 0.000 2.448 298 S HA 0.676 5.149 4.470 0.005 0.000 0.279 298 S C 0.545 175.118 174.600 -0.044 0.000 1.195 298 S CA -0.060 58.180 58.200 0.067 0.000 1.051 298 S CB 0.367 63.636 63.200 0.115 0.000 0.948 298 S HN 0.479 nan 8.310 nan 0.000 0.493 299 A N 3.957 126.736 122.820 -0.069 0.000 2.340 299 A HA 0.384 4.706 4.320 0.005 0.000 0.268 299 A C -0.168 177.336 177.584 -0.134 0.000 1.100 299 A CA -0.407 51.594 52.037 -0.060 0.000 0.803 299 A CB 0.191 19.181 19.000 -0.016 0.000 1.043 299 A HN 1.017 nan 8.150 nan 0.000 0.488 300 H N 1.584 120.558 119.070 -0.159 0.000 2.530 300 H HA 0.241 4.804 4.556 0.012 0.000 0.246 300 H C -1.035 174.310 175.328 0.029 0.000 1.346 300 H CA -0.736 55.256 56.048 -0.093 0.000 1.424 300 H CB 0.235 29.912 29.762 -0.142 0.000 1.445 300 H HN 0.729 nan 8.280 nan 0.000 0.511 301 D N 2.981 123.541 120.400 0.268 0.000 2.371 301 D HA -0.058 4.585 4.640 0.005 0.000 0.256 301 D C 1.173 177.626 176.300 0.255 0.000 1.193 301 D CA 0.221 54.335 54.000 0.190 0.000 0.881 301 D CB 1.269 42.156 40.800 0.145 0.000 1.143 301 D HN 0.680 nan 8.370 nan 0.000 0.473 302 T N 0.133 114.739 114.554 0.087 0.000 3.145 302 T HA 0.145 4.497 4.350 0.005 0.000 0.255 302 T C -0.005 174.710 174.700 0.026 0.000 1.039 302 T CA -0.320 61.802 62.100 0.037 0.000 0.928 302 T CB -0.044 68.760 68.868 -0.108 0.000 1.029 302 T HN 0.408 nan 8.240 nan 0.000 0.554 303 D N -0.083 120.343 120.400 0.043 0.000 3.120 303 D HA 0.065 4.707 4.640 0.005 0.000 0.331 303 D C -0.139 176.178 176.300 0.028 0.000 1.595 303 D CA -0.770 53.242 54.000 0.021 0.000 0.771 303 D CB -0.983 39.819 40.800 0.004 0.000 1.274 303 D HN 0.249 nan 8.370 nan 0.000 0.503 304 R N 1.497 122.026 120.500 0.048 0.000 2.747 304 R HA -0.215 4.128 4.340 0.005 0.000 0.236 304 R C -0.217 176.090 176.300 0.012 0.000 0.819 304 R CA 1.041 57.163 56.100 0.036 0.000 0.575 304 R CB -1.723 28.586 30.300 0.015 0.000 1.219 304 R HN 0.574 nan 8.270 nan 0.000 0.518 305 N N 0.650 119.367 118.700 0.028 0.000 2.232 305 N HA 0.040 4.783 4.740 0.005 0.000 0.240 305 N C 0.418 175.952 175.510 0.040 0.000 1.307 305 N CA -0.288 52.775 53.050 0.022 0.000 0.859 305 N CB 0.252 38.765 38.487 0.042 0.000 1.260 305 N HN 0.418 nan 8.380 nan 0.000 0.501 306 L N -0.180 121.070 121.223 0.045 0.000 3.976 306 L HA -0.239 4.104 4.340 0.005 0.000 0.418 306 L C -0.256 176.740 176.870 0.209 0.000 1.177 306 L CA 0.825 55.723 54.840 0.097 0.000 0.968 306 L CB -2.342 39.658 42.059 -0.098 0.000 1.933 306 L HN 0.398 nan 8.230 nan 0.000 0.976 307 S N -0.827 114.964 115.700 0.153 0.000 2.541 307 S HA 0.799 5.272 4.470 0.005 0.000 0.280 307 S C -0.582 174.088 174.600 0.116 0.000 1.112 307 S CA -0.530 57.762 58.200 0.154 0.000 0.925 307 S CB 2.448 65.743 63.200 0.158 0.000 1.067 307 S HN 0.035 nan 8.310 nan 0.000 0.479 308 V N 3.668 123.646 119.914 0.106 0.000 2.735 308 V HA 0.562 4.685 4.120 0.005 0.000 0.310 308 V C -1.174 174.979 176.094 0.100 0.000 1.061 308 V CA -0.779 61.574 62.300 0.088 0.000 0.913 308 V CB 2.242 34.108 31.823 0.072 0.000 1.005 308 V HN 0.899 nan 8.190 nan 0.000 0.428 309 D N 2.757 123.213 120.400 0.095 0.000 2.256 309 D HA 0.579 5.222 4.640 0.005 0.000 0.246 309 D C -0.639 175.673 176.300 0.019 0.000 1.042 309 D CA -0.052 53.998 54.000 0.084 0.000 0.841 309 D CB 2.426 43.232 40.800 0.011 0.000 1.223 309 D HN 0.463 nan 8.370 nan 0.000 0.470 310 V N -0.267 119.623 119.914 -0.041 0.000 2.588 310 V HA 0.655 4.778 4.120 0.005 0.000 0.304 310 V C -1.445 174.581 176.094 -0.113 0.000 1.042 310 V CA -0.695 61.590 62.300 -0.025 0.000 0.877 310 V CB 1.123 32.962 31.823 0.027 0.000 0.996 310 V HN 0.340 nan 8.190 nan 0.000 0.425 311 Y N 3.299 123.518 120.300 -0.135 0.000 2.562 311 Y HA 0.870 5.422 4.550 0.004 0.000 0.343 311 Y C -0.624 175.062 175.900 -0.358 0.000 1.025 311 Y CA -1.045 56.999 58.100 -0.093 0.000 1.082 311 Y CB 2.172 40.561 38.460 -0.119 0.000 1.264 311 Y HN 0.727 nan 8.280 nan 0.000 0.478 312 Y N -0.172 120.205 120.300 0.129 0.000 2.588 312 Y HA 0.364 4.916 4.550 0.004 0.000 0.343 312 Y C -0.799 175.120 175.900 0.032 0.000 1.065 312 Y CA -1.565 56.560 58.100 0.040 0.000 1.038 312 Y CB 1.678 40.141 38.460 0.004 0.000 1.297 312 Y HN 0.623 nan 8.280 nan 0.000 0.467 313 D N 0.232 120.745 120.400 0.189 0.000 2.385 313 D HA 0.378 5.021 4.640 0.005 0.000 0.254 313 D C -2.428 173.937 176.300 0.107 0.000 1.053 313 D CA -2.468 51.601 54.000 0.114 0.000 0.992 313 D CB 1.147 42.008 40.800 0.100 0.000 1.145 313 D HN 0.106 nan 8.370 nan 0.000 0.523 314 P HA -0.079 nan 4.420 nan 0.000 0.223 314 P C 1.017 178.379 177.300 0.103 0.000 1.144 314 P CA 1.062 64.239 63.100 0.129 0.000 0.783 314 P CB 0.059 31.869 31.700 0.183 0.000 0.771 315 M N -2.227 117.432 119.600 0.099 0.000 2.563 315 M HA 0.260 4.743 4.480 0.005 0.000 0.231 315 M C 1.169 177.536 176.300 0.111 0.000 1.136 315 M CA 0.571 55.923 55.300 0.088 0.000 1.026 315 M CB -1.245 31.403 32.600 0.079 0.000 1.597 315 M HN 0.103 nan 8.290 nan 0.000 0.495 316 G N 1.485 110.365 108.800 0.133 0.000 2.143 316 G HA2 -0.223 3.740 3.960 0.005 0.000 0.248 316 G HA3 -0.223 3.740 3.960 0.005 0.000 0.248 316 G C 0.010 175.071 174.900 0.267 0.000 0.991 316 G CA -0.155 45.044 45.100 0.164 0.000 0.689 316 G HN 0.471 nan 8.290 nan 0.000 0.522 317 N N 1.336 120.187 118.700 0.251 0.000 2.455 317 N HA 0.419 5.162 4.740 0.005 0.000 0.280 317 N C -2.820 172.722 175.510 0.054 0.000 1.055 317 N CA -1.121 52.063 53.050 0.222 0.000 0.961 317 N CB 1.615 40.236 38.487 0.223 0.000 1.121 317 N HN 0.069 nan 8.380 nan 0.000 0.476 318 P HA 0.175 nan 4.420 nan 0.000 0.276 318 P C -0.390 176.588 177.300 -0.538 0.000 1.230 318 P CA -0.404 62.382 63.100 -0.523 0.000 0.776 318 P CB 0.716 32.102 31.700 -0.524 0.000 0.888 319 L N 3.311 124.275 121.223 -0.432 0.000 2.357 319 L HA 0.205 4.548 4.340 0.005 0.000 0.273 319 L C 1.306 177.974 176.870 -0.337 0.000 1.080 319 L CA 0.313 54.961 54.840 -0.321 0.000 0.803 319 L CB 0.055 41.990 42.059 -0.208 0.000 1.174 319 L HN 0.337 nan 8.230 nan 0.000 0.443 320 D N 0.414 120.634 120.400 -0.302 0.000 2.182 320 D HA -0.147 4.496 4.640 0.005 0.000 0.201 320 D C 0.670 176.835 176.300 -0.225 0.000 0.986 320 D CA 1.168 55.016 54.000 -0.254 0.000 0.847 320 D CB 0.010 40.688 40.800 -0.202 0.000 0.942 320 D HN 0.346 nan 8.370 nan 0.000 0.467 321 K N 0.209 120.450 120.400 -0.266 0.000 1.948 321 K HA 0.087 4.410 4.320 0.005 0.000 0.231 321 K C 0.625 177.157 176.600 -0.112 0.000 1.136 321 K CA 0.554 56.659 56.287 -0.303 0.000 1.185 321 K CB -0.648 31.478 32.500 -0.624 0.000 1.090 321 K HN 0.280 nan 8.250 nan 0.000 0.302 322 G N 1.513 110.261 108.800 -0.086 0.000 2.157 322 G HA2 -0.313 3.650 3.960 0.005 0.000 0.239 322 G HA3 -0.313 3.650 3.960 0.005 0.000 0.239 322 G C 0.717 175.579 174.900 -0.063 0.000 0.982 322 G CA 0.456 45.545 45.100 -0.018 0.000 0.650 322 G HN 0.660 nan 8.290 nan 0.000 0.527 323 S N 0.378 115.996 115.700 -0.136 0.000 2.469 323 S HA 0.015 4.488 4.470 0.005 0.000 0.238 323 S C 1.404 175.940 174.600 -0.107 0.000 0.998 323 S CA 1.712 59.813 58.200 -0.165 0.000 0.957 323 S CB -0.079 62.980 63.200 -0.236 0.000 0.764 323 S HN 0.847 nan 8.310 nan 0.000 0.514 324 D N -0.116 120.232 120.400 -0.086 0.000 2.501 324 D HA 0.288 4.931 4.640 0.005 0.000 0.224 324 D C 0.808 177.203 176.300 0.158 0.000 1.202 324 D CA -0.202 53.763 54.000 -0.059 0.000 0.829 324 D CB -0.298 40.388 40.800 -0.190 0.000 1.023 324 D HN 0.267 nan 8.370 nan 0.000 0.499 325 S N -0.561 115.199 115.700 0.099 0.000 2.489 325 S HA 0.092 4.565 4.470 0.005 0.000 0.228 325 S C 0.695 175.397 174.600 0.170 0.000 0.995 325 S CA 0.105 58.368 58.200 0.105 0.000 0.934 325 S CB 0.463 63.682 63.200 0.033 0.000 0.771 325 S HN 0.220 nan 8.310 nan 0.000 0.522 326 V N 2.684 122.727 119.914 0.215 0.000 2.380 326 V HA 0.274 4.397 4.120 0.005 0.000 0.272 326 V C -1.060 175.229 176.094 0.326 0.000 1.011 326 V CA -1.054 61.374 62.300 0.214 0.000 0.826 326 V CB 0.278 32.186 31.823 0.142 0.000 1.040 326 V HN 0.385 nan 8.190 nan 0.000 0.441 327 W N 2.454 123.747 121.300 -0.013 0.000 2.170 327 W HA 0.244 4.898 4.660 -0.010 0.000 0.342 327 W C 1.625 178.199 176.519 0.091 0.000 1.294 327 W CA -0.585 56.737 57.345 -0.038 0.000 1.246 327 W CB -0.053 29.346 29.460 -0.102 0.000 1.156 327 W HN 0.448 nan 8.180 nan 0.000 0.572 328 N N 0.798 119.710 118.700 0.353 0.000 2.205 328 N HA -0.136 4.607 4.740 0.005 0.000 0.186 328 N C -0.112 175.749 175.510 0.585 0.000 1.015 328 N CA 1.359 54.679 53.050 0.449 0.000 0.862 328 N CB -0.042 38.748 38.487 0.506 0.000 0.986 328 N HN 0.383 nan 8.380 nan 0.000 0.429 329 F N -2.323 117.900 119.950 0.454 0.000 2.725 329 F HA 0.472 4.983 4.527 -0.026 0.000 0.309 329 F C -1.233 174.869 175.800 0.504 0.000 1.132 329 F CA -1.302 56.806 58.000 0.179 0.000 0.957 329 F CB 0.983 39.804 39.000 -0.299 0.000 1.286 329 F HN -0.190 nan 8.300 nan 0.000 0.440 330 H N 1.201 120.447 119.070 0.293 0.000 2.771 330 H HA 0.792 5.383 4.556 0.060 0.000 0.361 330 H C -2.050 173.403 175.328 0.208 0.000 1.108 330 H CA -1.053 55.183 56.048 0.314 0.000 1.201 330 H CB 2.165 31.968 29.762 0.068 0.000 1.681 330 H HN 0.725 nan 8.280 nan 0.000 0.534 331 V N 6.032 125.848 119.914 -0.162 0.000 2.459 331 V HA 0.436 4.559 4.120 0.005 0.000 0.295 331 V C -0.656 175.290 176.094 -0.247 0.000 1.029 331 V CA -0.403 61.764 62.300 -0.222 0.000 0.874 331 V CB 0.520 32.408 31.823 0.109 0.000 0.985 331 V HN 0.859 nan 8.190 nan 0.000 0.438 332 W N 3.847 125.000 121.300 -0.245 0.000 3.429 332 W HA 0.762 5.407 4.660 -0.026 0.000 0.355 332 W C -1.153 175.325 176.519 -0.068 0.000 1.131 332 W CA -1.087 56.169 57.345 -0.148 0.000 1.031 332 W CB 0.736 30.115 29.460 -0.134 0.000 1.534 332 W HN 0.378 nan 8.180 nan 0.000 0.605 333 N N -0.175 118.774 118.700 0.415 0.000 2.380 333 N HA 0.490 5.232 4.740 0.005 0.000 0.290 333 N C -1.797 173.883 175.510 0.284 0.000 1.236 333 N CA -1.022 52.163 53.050 0.226 0.000 0.780 333 N CB 2.281 40.848 38.487 0.134 0.000 1.438 333 N HN 0.466 nan 8.380 nan 0.000 0.491 334 E N -0.621 119.647 120.200 0.113 0.000 2.234 334 E HA 0.600 4.953 4.350 0.005 0.000 0.266 334 E C -0.895 175.852 176.600 0.244 0.000 0.877 334 E CA -0.901 55.574 56.400 0.125 0.000 0.758 334 E CB 1.845 31.450 29.700 -0.158 0.000 1.170 334 E HN 0.612 nan 8.360 nan 0.000 0.415 335 G N 2.320 111.278 108.800 0.263 0.000 2.416 335 G HA2 0.281 4.244 3.960 0.005 0.000 0.329 335 G HA3 0.281 4.244 3.960 0.005 0.000 0.329 335 G C -1.482 173.417 174.900 -0.001 0.000 1.173 335 G CA -0.524 44.723 45.100 0.246 0.000 0.929 335 G HN 0.455 nan 8.290 nan 0.000 0.475 336 W N 4.939 126.111 121.300 -0.212 0.000 2.294 336 W HA 0.621 5.277 4.660 -0.006 0.000 0.314 336 W C -1.796 174.536 176.519 -0.312 0.000 1.044 336 W CA -1.239 55.746 57.345 -0.600 0.000 1.284 336 W CB 0.689 29.563 29.460 -0.977 0.000 1.231 336 W HN 0.436 nan 8.180 nan 0.000 0.419 337 F N 3.166 122.761 119.950 -0.593 0.000 2.770 337 F HA 0.480 5.007 4.527 -0.001 0.000 0.313 337 F C -0.727 174.799 175.800 -0.456 0.000 1.154 337 F CA -1.724 56.003 58.000 -0.454 0.000 0.923 337 F CB -0.230 38.630 39.000 -0.233 0.000 1.301 337 F HN 0.089 nan 8.300 nan 0.000 0.449 338 V N 0.293 120.186 119.914 -0.034 0.000 2.881 338 V HA 0.624 4.747 4.120 0.005 0.000 0.303 338 V C -0.089 176.067 176.094 0.102 0.000 1.070 338 V CA -0.646 61.619 62.300 -0.059 0.000 1.074 338 V CB 1.127 32.932 31.823 -0.030 0.000 1.012 338 V HN 0.836 nan 8.190 nan 0.000 0.482 339 R N 3.157 123.691 120.500 0.057 0.000 2.575 339 R HA 0.301 4.644 4.340 0.005 0.000 0.281 339 R C 1.387 177.737 176.300 0.083 0.000 1.272 339 R CA 0.485 56.653 56.100 0.113 0.000 1.417 339 R CB 0.530 30.894 30.300 0.108 0.000 1.121 339 R HN 1.088 nan 8.270 nan 0.000 0.583 340 S N 0.118 115.863 115.700 0.074 0.000 2.442 340 S HA -0.162 4.311 4.470 0.005 0.000 0.236 340 S C 1.092 175.723 174.600 0.051 0.000 1.007 340 S CA 1.318 59.551 58.200 0.054 0.000 0.965 340 S CB 0.016 63.246 63.200 0.049 0.000 0.773 340 S HN 0.508 nan 8.310 nan 0.000 0.504 341 D N 1.006 121.441 120.400 0.058 0.000 2.349 341 D HA 0.059 4.702 4.640 0.005 0.000 0.215 341 D C 1.546 177.848 176.300 0.004 0.000 1.016 341 D CA 0.210 54.229 54.000 0.031 0.000 0.870 341 D CB -0.190 40.633 40.800 0.040 0.000 0.917 341 D HN 0.518 nan 8.370 nan 0.000 0.524 342 L N -1.065 120.180 121.223 0.036 0.000 2.766 342 L HA 0.442 4.785 4.340 0.005 0.000 0.241 342 L C 1.079 178.068 176.870 0.199 0.000 1.080 342 L CA 0.254 55.118 54.840 0.039 0.000 0.909 342 L CB 0.640 42.671 42.059 -0.046 0.000 1.277 342 L HN 0.231 nan 8.230 nan 0.000 0.510 343 G N -0.052 108.848 108.800 0.167 0.000 2.357 343 G HA2 -0.059 3.904 3.960 0.005 0.000 0.643 343 G HA3 -0.059 3.904 3.960 0.005 0.000 0.643 343 G C -2.669 172.267 174.900 0.061 0.000 1.358 343 G CA -0.709 44.466 45.100 0.125 0.000 0.986 343 G HN -0.212 nan 8.290 nan 0.000 0.620 344 P HA -0.064 nan 4.420 nan 0.000 0.218 344 P C 2.110 179.331 177.300 -0.131 0.000 1.148 344 P CA 2.327 65.392 63.100 -0.058 0.000 0.822 344 P CB 0.092 31.761 31.700 -0.051 0.000 0.784 345 S N -2.516 113.037 115.700 -0.245 0.000 2.489 345 S HA -0.090 4.383 4.470 0.005 0.000 0.228 345 S C 1.436 175.733 174.600 -0.505 0.000 0.995 345 S CA 0.451 58.405 58.200 -0.410 0.000 0.934 345 S CB -1.269 61.590 63.200 -0.568 0.000 0.771 345 S HN 0.206 nan 8.310 nan 0.000 0.522 346 Y N 2.035 122.291 120.300 -0.073 0.000 2.457 346 Y HA 0.427 4.979 4.550 0.003 0.000 0.263 346 Y C 1.812 177.621 175.900 -0.152 0.000 1.164 346 Y CA -0.560 57.485 58.100 -0.092 0.000 1.274 346 Y CB -0.254 38.166 38.460 -0.065 0.000 1.097 346 Y HN 0.378 nan 8.280 nan 0.000 0.523 347 G N 0.128 108.867 108.800 -0.100 0.000 2.683 347 G HA2 0.416 4.379 3.960 0.005 0.000 0.260 347 G HA3 0.416 4.379 3.960 0.005 0.000 0.260 347 G C 0.586 175.208 174.900 -0.463 0.000 1.238 347 G CA 0.483 45.427 45.100 -0.261 0.000 0.934 347 G HN 0.554 nan 8.290 nan 0.000 0.534 348 G N -1.373 106.879 108.800 -0.914 0.000 2.443 348 G HA2 -0.142 3.821 3.960 0.005 0.000 0.209 348 G HA3 -0.142 3.821 3.960 0.005 0.000 0.209 348 G C -0.328 173.985 174.900 -0.978 0.000 1.176 348 G CA -0.293 43.981 45.100 -1.376 0.000 1.074 348 G HN 0.800 nan 8.290 nan 0.000 0.577 349 W N 2.054 123.191 121.300 -0.271 0.000 2.251 349 W HA 0.559 5.238 4.660 0.032 0.000 0.327 349 W C 0.412 176.764 176.519 -0.278 0.000 1.361 349 W CA -0.209 57.051 57.345 -0.140 0.000 1.234 349 W CB 0.793 30.253 29.460 0.001 0.000 1.212 349 W HN 0.330 nan 8.180 nan 0.000 0.557 350 Q N 3.108 122.889 119.800 -0.031 0.000 2.309 350 Q HA 0.266 4.609 4.340 0.005 0.000 0.270 350 Q C -0.600 175.420 176.000 0.034 0.000 1.023 350 Q CA -0.942 54.787 55.803 -0.124 0.000 0.758 350 Q CB 1.676 30.148 28.738 -0.442 0.000 1.247 350 Q HN 0.233 nan 8.270 nan 0.000 0.455 351 V N 4.075 124.020 119.914 0.053 0.000 2.599 351 V HA 0.112 4.235 4.120 0.005 0.000 0.300 351 V C 0.336 176.450 176.094 0.033 0.000 1.034 351 V CA 0.373 62.703 62.300 0.049 0.000 1.115 351 V CB -0.014 31.747 31.823 -0.103 0.000 0.934 351 V HN 0.548 nan 8.190 nan 0.000 0.485 352 L N 4.742 126.010 121.223 0.075 0.000 2.409 352 L HA 0.608 4.951 4.340 0.005 0.000 0.272 352 L C -0.891 176.031 176.870 0.086 0.000 0.980 352 L CA -0.400 54.486 54.840 0.076 0.000 0.826 352 L CB 2.251 44.383 42.059 0.120 0.000 1.268 352 L HN 0.547 nan 8.230 nan 0.000 0.407 353 D N 1.831 122.262 120.400 0.053 0.000 2.620 353 D HA 0.444 5.087 4.640 0.005 0.000 0.252 353 D C 0.169 176.508 176.300 0.066 0.000 1.207 353 D CA -0.294 53.764 54.000 0.097 0.000 0.884 353 D CB 2.465 43.322 40.800 0.096 0.000 1.262 353 D HN 0.580 nan 8.370 nan 0.000 0.552 354 A N 2.742 125.608 122.820 0.077 0.000 2.178 354 A HA 0.119 4.442 4.320 0.005 0.000 0.211 354 A C 1.018 178.503 177.584 -0.164 0.000 1.157 354 A CA 0.336 52.390 52.037 0.028 0.000 0.780 354 A CB -0.023 19.051 19.000 0.123 0.000 0.828 354 A HN 0.471 nan 8.150 nan 0.000 0.476 355 T N 3.676 118.124 114.554 -0.177 0.000 2.853 355 T HA 0.280 4.633 4.350 0.005 0.000 0.298 355 T C -2.467 172.069 174.700 -0.272 0.000 0.978 355 T CA -0.435 61.410 62.100 -0.425 0.000 1.152 355 T CB 0.702 69.628 68.868 0.097 0.000 0.914 355 T HN 0.212 nan 8.240 nan 0.000 0.539 356 P HA 0.168 nan 4.420 nan 0.000 0.260 356 P C 0.057 177.218 177.300 -0.231 0.000 1.651 356 P CA 0.036 62.955 63.100 -0.302 0.000 1.139 356 P CB 0.576 31.877 31.700 -0.665 0.000 1.756 357 Q N 0.828 120.550 119.800 -0.130 0.000 2.525 357 Q HA 0.086 4.429 4.340 0.005 0.000 0.203 357 Q C 0.186 176.092 176.000 -0.158 0.000 0.947 357 Q CA 0.536 56.177 55.803 -0.271 0.000 0.881 357 Q CB 0.351 28.725 28.738 -0.606 0.000 1.049 357 Q HN 0.325 nan 8.270 nan 0.000 0.600 358 E N 0.649 120.575 120.200 -0.457 0.000 2.183 358 E HA 0.273 4.626 4.350 0.005 0.000 0.271 358 E C -1.184 175.166 176.600 -0.418 0.000 0.919 358 E CA -0.298 55.814 56.400 -0.480 0.000 0.781 358 E CB 1.141 30.229 29.700 -1.020 0.000 1.140 358 E HN -0.007 nan 8.360 nan 0.000 0.402 359 R N 1.595 121.794 120.500 -0.501 0.000 2.539 359 R HA 0.416 4.759 4.340 0.005 0.000 0.275 359 R C -0.576 175.500 176.300 -0.373 0.000 1.077 359 R CA -0.231 55.478 56.100 -0.651 0.000 1.097 359 R CB 1.172 31.051 30.300 -0.703 0.000 1.018 359 R HN 0.320 nan 8.270 nan 0.000 0.483 360 S N 1.768 117.289 115.700 -0.298 0.000 2.756 360 S HA 0.117 4.590 4.470 0.005 0.000 0.303 360 S C -0.683 173.838 174.600 -0.132 0.000 1.135 360 S CA -0.472 57.626 58.200 -0.170 0.000 1.066 360 S CB 0.570 63.699 63.200 -0.119 0.000 1.008 360 S HN 0.721 nan 8.310 nan 0.000 0.482 361 Q N 2.789 122.529 119.800 -0.100 0.000 2.487 361 Q HA -0.200 4.142 4.340 0.005 0.000 0.279 361 Q C 0.888 176.827 176.000 -0.101 0.000 1.228 361 Q CA 0.831 56.592 55.803 -0.071 0.000 0.873 361 Q CB -1.883 26.836 28.738 -0.032 0.000 1.260 361 Q HN 1.601 nan 8.270 nan 0.000 0.471 362 G N -2.197 106.512 108.800 -0.153 0.000 2.184 362 G HA2 -0.318 3.645 3.960 0.005 0.000 0.264 362 G HA3 -0.318 3.645 3.960 0.005 0.000 0.264 362 G C 0.154 174.917 174.900 -0.229 0.000 0.975 362 G CA 0.257 45.251 45.100 -0.175 0.000 0.642 362 G HN 0.427 nan 8.290 nan 0.000 0.536 363 V N 0.160 119.929 119.914 -0.243 0.000 2.769 363 V HA 0.664 4.787 4.120 0.005 0.000 0.312 363 V C -0.038 175.871 176.094 -0.308 0.000 1.061 363 V CA -0.991 61.180 62.300 -0.215 0.000 0.931 363 V CB 1.797 33.570 31.823 -0.084 0.000 1.010 363 V HN 0.173 nan 8.190 nan 0.000 0.433 364 F N 4.427 124.337 119.950 -0.067 0.000 2.566 364 F HA 0.382 4.911 4.527 0.002 0.000 0.349 364 F C 0.771 176.512 175.800 -0.098 0.000 1.245 364 F CA 0.085 58.027 58.000 -0.097 0.000 1.169 364 F CB 0.042 38.994 39.000 -0.080 0.000 1.470 364 F HN 0.557 nan 8.300 nan 0.000 0.634 365 Q N 1.781 121.571 119.800 -0.017 0.000 2.456 365 Q HA 0.740 5.083 4.340 0.005 0.000 0.284 365 Q C -1.679 174.277 176.000 -0.074 0.000 1.061 365 Q CA -1.094 54.681 55.803 -0.046 0.000 0.799 365 Q CB 2.488 31.172 28.738 -0.089 0.000 1.445 365 Q HN 0.404 nan 8.270 nan 0.000 0.411 366 C N 0.745 120.008 119.300 -0.060 0.000 2.871 366 C HA 0.827 5.290 4.460 0.005 0.000 0.378 366 C C 0.260 175.238 174.990 -0.020 0.000 1.052 366 C CA 1.162 60.158 59.018 -0.038 0.000 1.250 366 C CB 0.637 28.368 27.740 -0.015 0.000 1.689 366 C HN 1.439 nan 8.230 nan 0.000 0.506 367 G N 6.431 115.242 108.800 0.018 0.000 2.710 367 G HA2 0.007 3.969 3.960 0.005 0.000 0.668 367 G HA3 0.007 3.969 3.960 0.005 0.000 0.668 367 G C -3.142 171.750 174.900 -0.012 0.000 1.320 367 G CA -0.351 44.786 45.100 0.061 0.000 0.860 367 G HN 0.783 nan 8.290 nan 0.000 0.538 368 P HA 0.490 nan 4.420 nan 0.000 0.276 368 P C -0.345 177.093 177.300 0.229 0.000 1.230 368 P CA 0.707 63.941 63.100 0.222 0.000 0.776 368 P CB 1.360 33.282 31.700 0.370 0.000 0.888 369 A N 2.777 125.659 122.820 0.105 0.000 2.311 369 A HA 0.392 4.715 4.320 0.005 0.000 0.306 369 A C 0.362 177.949 177.584 0.004 0.000 1.189 369 A CA -0.692 51.374 52.037 0.049 0.000 0.791 369 A CB 0.582 19.592 19.000 0.017 0.000 1.172 369 A HN 0.470 nan 8.150 nan 0.000 0.481 370 S N 2.436 118.128 115.700 -0.013 0.000 2.509 370 S HA 0.130 4.603 4.470 0.005 0.000 0.287 370 S C 1.476 176.063 174.600 -0.020 0.000 1.248 370 S CA -0.214 57.978 58.200 -0.013 0.000 1.089 370 S CB -0.033 63.191 63.200 0.041 0.000 0.900 370 S HN 0.716 nan 8.310 nan 0.000 0.496 371 V N 7.632 127.504 119.914 -0.069 0.000 2.287 371 V HA -0.217 3.906 4.120 0.005 0.000 0.248 371 V C 2.194 178.220 176.094 -0.114 0.000 1.053 371 V CA 2.130 64.302 62.300 -0.214 0.000 1.027 371 V CB -0.766 30.860 31.823 -0.328 0.000 0.646 371 V HN 0.906 nan 8.190 nan 0.000 0.447 372 I N 0.851 121.411 120.570 -0.018 0.000 2.151 372 I HA -0.233 3.940 4.170 0.005 0.000 0.243 372 I C 2.618 178.818 176.117 0.139 0.000 1.080 372 I CA 1.925 63.248 61.300 0.038 0.000 1.339 372 I CB -0.994 37.025 38.000 0.033 0.000 1.039 372 I HN 0.435 nan 8.210 nan 0.000 0.409 373 G N 0.259 109.198 108.800 0.231 0.000 2.422 373 G HA2 -0.177 3.786 3.960 0.005 0.000 0.218 373 G HA3 -0.177 3.786 3.960 0.005 0.000 0.218 373 G C 1.699 176.686 174.900 0.146 0.000 1.146 373 G CA 0.798 46.036 45.100 0.230 0.000 0.769 373 G HN 0.263 nan 8.290 nan 0.000 0.547 374 V N 0.474 120.462 119.914 0.122 0.000 2.407 374 V HA -0.135 3.987 4.120 0.005 0.000 0.248 374 V C 2.745 179.040 176.094 0.334 0.000 1.055 374 V CA 2.040 64.479 62.300 0.231 0.000 1.049 374 V CB -0.414 31.503 31.823 0.156 0.000 0.662 374 V HN 0.414 nan 8.190 nan 0.000 0.455 375 R N -0.015 120.602 120.500 0.195 0.000 2.115 375 R HA -0.115 4.228 4.340 0.005 0.000 0.230 375 R C 1.916 178.428 176.300 0.352 0.000 1.111 375 R CA 1.154 57.377 56.100 0.206 0.000 0.976 375 R CB 0.043 30.357 30.300 0.022 0.000 0.870 375 R HN 0.432 nan 8.270 nan 0.000 0.445 376 E N -0.642 119.738 120.200 0.300 0.000 2.479 376 E HA 0.077 4.430 4.350 0.005 0.000 0.193 376 E C 0.660 177.378 176.600 0.198 0.000 1.049 376 E CA 0.721 57.300 56.400 0.297 0.000 0.870 376 E CB 0.733 30.572 29.700 0.232 0.000 0.944 376 E HN 0.542 nan 8.360 nan 0.000 0.492 377 G N 2.564 111.476 108.800 0.186 0.000 2.225 377 G HA2 -0.211 3.752 3.960 0.005 0.000 0.264 377 G HA3 -0.211 3.752 3.960 0.005 0.000 0.264 377 G C -0.369 174.425 174.900 -0.176 0.000 1.060 377 G CA 0.167 45.188 45.100 -0.133 0.000 0.833 377 G HN 0.138 nan 8.290 nan 0.000 0.498 378 D N 0.645 120.999 120.400 -0.077 0.000 3.110 378 D HA 0.206 4.848 4.640 0.005 0.000 0.254 378 D C 1.952 178.153 176.300 -0.166 0.000 1.283 378 D CA 0.338 54.275 54.000 -0.104 0.000 0.944 378 D CB 0.566 41.336 40.800 -0.049 0.000 1.066 378 D HN 0.619 nan 8.370 nan 0.000 0.496 379 V N -0.407 119.379 119.914 -0.214 0.000 3.590 379 V HA -0.141 3.982 4.120 0.005 0.000 0.272 379 V C 1.782 177.776 176.094 -0.168 0.000 1.233 379 V CA 0.719 62.902 62.300 -0.194 0.000 1.182 379 V CB -0.482 31.185 31.823 -0.259 0.000 0.901 379 V HN 0.219 nan 8.190 nan 0.000 0.485 380 Q N 0.427 120.124 119.800 -0.171 0.000 2.408 380 Q HA 0.212 4.555 4.340 0.005 0.000 0.205 380 Q C 0.743 176.632 176.000 -0.186 0.000 0.919 380 Q CA 0.247 55.956 55.803 -0.156 0.000 0.932 380 Q CB -0.055 28.602 28.738 -0.135 0.000 1.058 380 Q HN 0.673 nan 8.270 nan 0.000 0.517 381 L N 2.390 123.476 121.223 -0.228 0.000 2.439 381 L HA 0.250 4.593 4.340 0.005 0.000 0.261 381 L C 0.302 176.987 176.870 -0.308 0.000 1.153 381 L CA -0.799 53.868 54.840 -0.289 0.000 0.808 381 L CB 0.302 42.130 42.059 -0.385 0.000 1.126 381 L HN -0.010 nan 8.230 nan 0.000 0.460 382 N N 0.867 119.296 118.700 -0.453 0.000 2.525 382 N HA 0.402 5.145 4.740 0.005 0.000 0.271 382 N C -0.974 174.312 175.510 -0.373 0.000 1.194 382 N CA 0.117 52.722 53.050 -0.743 0.000 0.964 382 N CB 0.886 38.286 38.487 -1.812 0.000 1.126 382 N HN 0.219 nan 8.380 nan 0.000 0.452 383 F N -0.405 119.524 119.950 -0.035 0.000 2.563 383 F HA 0.244 4.774 4.527 0.006 0.000 0.316 383 F C 0.529 176.313 175.800 -0.026 0.000 1.076 383 F CA -0.777 57.206 58.000 -0.030 0.000 0.921 383 F CB 1.153 40.144 39.000 -0.015 0.000 1.209 383 F HN 0.346 nan 8.300 nan 0.000 0.462 384 D N 2.011 122.502 120.400 0.152 0.000 2.737 384 D HA -0.201 4.442 4.640 0.005 0.000 0.233 384 D C 1.359 177.715 176.300 0.092 0.000 1.155 384 D CA 0.489 54.553 54.000 0.108 0.000 0.667 384 D CB -0.439 40.431 40.800 0.117 0.000 1.060 384 D HN 0.431 nan 8.370 nan 0.000 0.427 385 M N -1.276 118.344 119.600 0.033 0.000 2.067 385 M HA -0.099 4.384 4.480 0.005 0.000 0.260 385 M C -0.505 175.825 176.300 0.050 0.000 1.069 385 M CA 1.802 57.113 55.300 0.017 0.000 1.117 385 M CB -1.899 30.669 32.600 -0.052 0.000 1.334 385 M HN 0.062 nan 8.290 nan 0.000 0.407 386 P HA -0.221 nan 4.420 nan 0.000 0.217 386 P C 1.639 179.012 177.300 0.120 0.000 1.162 386 P CA 1.414 64.537 63.100 0.038 0.000 0.901 386 P CB -0.389 31.319 31.700 0.013 0.000 0.793 387 F N -0.082 119.855 119.950 -0.022 0.000 2.102 387 F HA -0.145 4.378 4.527 -0.006 0.000 0.298 387 F C 2.036 177.796 175.800 -0.067 0.000 1.105 387 F CA 1.414 59.386 58.000 -0.048 0.000 1.239 387 F CB -0.897 38.047 39.000 -0.093 0.000 0.991 387 F HN -0.221 nan 8.300 nan 0.000 0.474 388 I N -0.896 119.520 120.570 -0.258 0.000 2.252 388 I HA -0.271 3.902 4.170 0.005 0.000 0.245 388 I C 2.362 178.342 176.117 -0.229 0.000 1.102 388 I CA 1.353 62.395 61.300 -0.430 0.000 1.385 388 I CB -0.708 37.142 38.000 -0.251 0.000 1.064 388 I HN 0.174 nan 8.210 nan 0.000 0.414 389 F N 1.966 121.819 119.950 -0.161 0.000 2.095 389 F HA -0.292 4.238 4.527 0.006 0.000 0.298 389 F C 2.543 178.292 175.800 -0.084 0.000 1.104 389 F CA 1.698 59.655 58.000 -0.072 0.000 1.232 389 F CB -0.291 38.674 39.000 -0.059 0.000 0.987 389 F HN 0.012 nan 8.300 nan 0.000 0.475 390 A N -0.078 122.771 122.820 0.048 0.000 1.940 390 A HA -0.227 4.096 4.320 0.005 0.000 0.219 390 A C 2.088 179.578 177.584 -0.157 0.000 1.176 390 A CA 1.894 53.921 52.037 -0.016 0.000 0.631 390 A CB -0.914 18.092 19.000 0.010 0.000 0.814 390 A HN 0.575 nan 8.150 nan 0.000 0.446 391 E N -0.487 119.513 120.200 -0.332 0.000 2.118 391 E HA -0.168 4.184 4.350 0.005 0.000 0.195 391 E C 1.945 178.464 176.600 -0.135 0.000 0.992 391 E CA 1.858 58.066 56.400 -0.320 0.000 0.804 391 E CB -0.268 29.132 29.700 -0.501 0.000 0.741 391 E HN 0.702 nan 8.360 nan 0.000 0.458 392 V N -2.267 117.556 119.914 -0.152 0.000 3.431 392 V HA 0.182 4.305 4.120 0.005 0.000 0.253 392 V C 0.874 176.870 176.094 -0.164 0.000 1.184 392 V CA 0.681 62.914 62.300 -0.112 0.000 1.104 392 V CB 0.255 32.026 31.823 -0.086 0.000 0.799 392 V HN 0.028 nan 8.190 nan 0.000 0.462 393 N N 0.830 119.378 118.700 -0.253 0.000 2.547 393 N HA 0.574 5.317 4.740 0.005 0.000 0.285 393 N C -0.220 175.319 175.510 0.047 0.000 1.600 393 N CA 0.470 53.402 53.050 -0.197 0.000 0.872 393 N CB 0.923 39.146 38.487 -0.440 0.000 1.412 393 N HN 0.693 nan 8.380 nan 0.000 0.489 394 A N -0.261 122.598 122.820 0.065 0.000 2.279 394 A HA 0.507 4.830 4.320 0.005 0.000 0.303 394 A C -0.346 177.314 177.584 0.126 0.000 1.108 394 A CA -0.430 51.725 52.037 0.197 0.000 0.830 394 A CB 0.500 19.568 19.000 0.114 0.000 1.106 394 A HN 0.282 nan 8.150 nan 0.000 0.493 395 D N 0.368 120.864 120.400 0.160 0.000 2.304 395 D HA 0.345 4.988 4.640 0.005 0.000 0.247 395 D C 0.032 176.354 176.300 0.037 0.000 1.089 395 D CA 0.185 54.191 54.000 0.012 0.000 0.910 395 D CB 0.947 41.733 40.800 -0.024 0.000 1.199 395 D HN 0.489 nan 8.370 nan 0.000 0.426 396 R N 2.149 122.650 120.500 0.002 0.000 2.295 396 R HA 0.506 4.849 4.340 0.005 0.000 0.324 396 R C -0.769 175.517 176.300 -0.023 0.000 0.968 396 R CA -0.508 55.600 56.100 0.014 0.000 0.837 396 R CB 0.498 30.811 30.300 0.020 0.000 1.133 396 R HN 0.406 nan 8.270 nan 0.000 0.450 397 I N 3.398 123.955 120.570 -0.022 0.000 2.378 397 I HA 0.250 4.422 4.170 0.005 0.000 0.291 397 I C -0.258 175.741 176.117 -0.196 0.000 0.992 397 I CA -0.721 60.492 61.300 -0.144 0.000 1.154 397 I CB 2.354 40.295 38.000 -0.099 0.000 1.315 397 I HN 0.556 nan 8.210 nan 0.000 0.448 398 T N 4.748 119.116 114.554 -0.309 0.000 2.767 398 T HA 0.413 4.766 4.350 0.005 0.000 0.284 398 T C -1.004 173.431 174.700 -0.442 0.000 0.973 398 T CA -0.316 61.655 62.100 -0.215 0.000 0.996 398 T CB 0.559 69.366 68.868 -0.102 0.000 0.927 398 T HN 0.312 nan 8.240 nan 0.000 0.456 399 W N 2.257 123.384 121.300 -0.289 0.000 2.781 399 W HA 0.661 5.323 4.660 0.003 0.000 0.345 399 W C -0.816 175.569 176.519 -0.223 0.000 1.085 399 W CA -1.003 56.149 57.345 -0.321 0.000 1.198 399 W CB 1.035 30.143 29.460 -0.587 0.000 1.423 399 W HN 0.174 nan 8.180 nan 0.000 0.532 400 L N 2.455 123.557 121.223 -0.202 0.000 2.329 400 L HA 0.477 4.820 4.340 0.005 0.000 0.279 400 L C -1.264 175.343 176.870 -0.438 0.000 1.014 400 L CA -1.199 53.297 54.840 -0.574 0.000 0.814 400 L CB 1.182 42.320 42.059 -1.535 0.000 1.257 400 L HN 0.596 nan 8.230 nan 0.000 0.424 401 Y N 2.614 122.724 120.300 -0.317 0.000 2.396 401 Y HA 0.325 4.878 4.550 0.006 0.000 0.332 401 Y C -0.854 175.039 175.900 -0.012 0.000 1.034 401 Y CA -0.705 57.339 58.100 -0.094 0.000 1.057 401 Y CB 1.686 40.154 38.460 0.014 0.000 1.220 401 Y HN 0.541 nan 8.280 nan 0.000 0.440 402 D N 4.913 125.054 120.400 -0.433 0.000 2.460 402 D HA 0.108 4.751 4.640 0.005 0.000 0.232 402 D C 0.371 176.308 176.300 -0.605 0.000 1.079 402 D CA -0.043 53.786 54.000 -0.285 0.000 0.864 402 D CB 1.006 41.848 40.800 0.070 0.000 1.048 402 D HN 0.882 nan 8.370 nan 0.000 0.523 403 N N 1.675 120.044 118.700 -0.552 0.000 2.192 403 N HA -0.220 4.522 4.740 0.005 0.000 0.188 403 N C 1.805 177.213 175.510 -0.170 0.000 1.013 403 N CA 2.324 55.168 53.050 -0.344 0.000 0.863 403 N CB 0.182 38.650 38.487 -0.031 0.000 0.990 403 N HN 0.476 nan 8.380 nan 0.000 0.430 404 T N -4.057 110.428 114.554 -0.116 0.000 2.881 404 T HA -0.124 4.229 4.350 0.005 0.000 0.270 404 T C 1.740 176.409 174.700 -0.051 0.000 1.068 404 T CA 1.836 63.903 62.100 -0.055 0.000 1.131 404 T CB -0.754 68.097 68.868 -0.027 0.000 0.871 404 T HN 0.374 nan 8.240 nan 0.000 0.479 405 T N -3.613 110.896 114.554 -0.074 0.000 2.971 405 T HA 0.531 4.884 4.350 0.005 0.000 0.252 405 T C 1.988 176.664 174.700 -0.040 0.000 1.022 405 T CA 0.709 62.785 62.100 -0.041 0.000 0.980 405 T CB -0.050 68.809 68.868 -0.015 0.000 1.044 405 T HN 0.909 nan 8.240 nan 0.000 0.501 406 G N 1.906 110.639 108.800 -0.112 0.000 2.225 406 G HA2 -0.261 3.702 3.960 0.005 0.000 0.254 406 G HA3 -0.261 3.702 3.960 0.005 0.000 0.254 406 G C 0.069 174.993 174.900 0.041 0.000 0.988 406 G CA 0.137 45.216 45.100 -0.035 0.000 0.625 406 G HN 0.672 nan 8.290 nan 0.000 0.527 407 K N 0.767 121.190 120.400 0.039 0.000 2.448 407 K HA 0.364 4.687 4.320 0.005 0.000 0.278 407 K C 0.310 177.149 176.600 0.398 0.000 1.009 407 K CA 0.351 56.767 56.287 0.215 0.000 0.995 407 K CB 0.706 33.334 32.500 0.214 0.000 0.917 407 K HN 0.458 nan 8.250 nan 0.000 0.481 408 Q N 3.365 123.484 119.800 0.531 0.000 2.323 408 Q HA 0.413 4.756 4.340 0.005 0.000 0.271 408 Q C -2.034 174.425 176.000 0.765 0.000 1.048 408 Q CA -0.908 55.267 55.803 0.621 0.000 0.792 408 Q CB 1.245 30.244 28.738 0.435 0.000 1.280 408 Q HN 0.679 nan 8.270 nan 0.000 0.441 409 W N 3.083 124.675 121.300 0.487 0.000 3.211 409 W HA 0.470 5.134 4.660 0.007 0.000 0.335 409 W C -1.523 175.169 176.519 0.288 0.000 1.113 409 W CA -1.066 56.511 57.345 0.387 0.000 1.235 409 W CB 0.697 30.273 29.460 0.194 0.000 1.365 409 W HN 0.492 nan 8.180 nan 0.000 0.476 410 K N 3.460 123.918 120.400 0.097 0.000 2.451 410 K HA -0.075 4.248 4.320 0.005 0.000 0.280 410 K C 0.594 177.026 176.600 -0.280 0.000 1.020 410 K CA 0.368 56.252 56.287 -0.671 0.000 1.008 410 K CB 0.666 32.634 32.500 -0.886 0.000 0.917 410 K HN 0.793 nan 8.250 nan 0.000 0.478 411 N N 1.392 119.871 118.700 -0.368 0.000 2.499 411 N HA -0.044 4.699 4.740 0.005 0.000 0.182 411 N C -0.824 174.585 175.510 -0.169 0.000 1.034 411 N CA 0.693 53.638 53.050 -0.175 0.000 0.882 411 N CB 0.457 38.847 38.487 -0.161 0.000 1.125 411 N HN 0.674 nan 8.380 nan 0.000 0.436 412 S N -0.863 114.690 115.700 -0.244 0.000 2.611 412 S HA 0.467 4.940 4.470 0.005 0.000 0.270 412 S C -1.402 173.082 174.600 -0.193 0.000 1.131 412 S CA -0.849 57.246 58.200 -0.174 0.000 0.826 412 S CB 1.864 64.996 63.200 -0.112 0.000 1.095 412 S HN -0.141 nan 8.310 nan 0.000 0.461 413 V N 2.408 122.244 119.914 -0.130 0.000 2.483 413 V HA 0.592 4.715 4.120 0.005 0.000 0.297 413 V C -0.753 175.305 176.094 -0.061 0.000 1.027 413 V CA -0.612 61.624 62.300 -0.107 0.000 0.855 413 V CB 1.571 33.335 31.823 -0.098 0.000 0.995 413 V HN 0.922 nan 8.190 nan 0.000 0.424 414 N N 2.676 121.350 118.700 -0.045 0.000 2.446 414 N HA 0.278 5.021 4.740 0.005 0.000 0.265 414 N C 0.353 175.847 175.510 -0.026 0.000 0.975 414 N CA -0.246 52.804 53.050 0.000 0.000 0.928 414 N CB 2.143 40.637 38.487 0.011 0.000 1.160 414 N HN 0.526 nan 8.380 nan 0.000 0.495 415 S N 2.180 117.868 115.700 -0.019 0.000 2.556 415 S HA 0.089 4.562 4.470 0.005 0.000 0.216 415 S C 0.020 174.304 174.600 -0.526 0.000 0.970 415 S CA 0.045 58.050 58.200 -0.324 0.000 0.912 415 S CB -0.036 62.858 63.200 -0.510 0.000 0.790 415 S HN 0.644 nan 8.310 nan 0.000 0.504 416 H N -1.317 117.698 119.070 -0.091 0.000 3.233 416 H HA 0.260 4.819 4.556 0.005 0.000 0.263 416 H C 1.810 177.102 175.328 -0.060 0.000 1.168 416 H CA 0.204 56.206 56.048 -0.075 0.000 1.159 416 H CB -0.026 29.694 29.762 -0.070 0.000 1.593 416 H HN 0.187 nan 8.280 nan 0.000 0.580 417 T N 0.483 115.071 114.554 0.057 0.000 2.985 417 T HA 0.059 4.412 4.350 0.005 0.000 0.266 417 T C 0.793 175.510 174.700 0.030 0.000 1.076 417 T CA 0.276 62.400 62.100 0.039 0.000 1.135 417 T CB -0.192 68.705 68.868 0.048 0.000 0.890 417 T HN 0.045 nan 8.240 nan 0.000 0.480 418 I N 1.989 122.566 120.570 0.012 0.000 2.474 418 I HA 0.380 4.552 4.170 0.005 0.000 0.287 418 I C 1.354 177.463 176.117 -0.013 0.000 1.048 418 I CA 0.343 61.651 61.300 0.014 0.000 1.383 418 I CB -0.082 37.919 38.000 0.003 0.000 1.412 418 I HN 0.461 nan 8.210 nan 0.000 0.531 419 G N 6.777 115.580 108.800 0.005 0.000 2.623 419 G HA2 -0.224 3.739 3.960 0.005 0.000 0.281 419 G HA3 -0.224 3.739 3.960 0.005 0.000 0.281 419 G C -0.092 174.778 174.900 -0.050 0.000 1.087 419 G CA -0.546 44.540 45.100 -0.025 0.000 1.244 419 G HN 0.682 nan 8.290 nan 0.000 0.544 420 R N -0.478 120.009 120.500 -0.023 0.000 2.807 420 R HA 0.562 4.905 4.340 0.005 0.000 0.276 420 R C 0.408 176.679 176.300 -0.048 0.000 0.979 420 R CA -1.239 54.755 56.100 -0.176 0.000 0.928 420 R CB 1.219 31.336 30.300 -0.305 0.000 1.191 420 R HN 0.487 nan 8.270 nan 0.000 0.471 421 Y N 0.313 120.614 120.300 0.002 0.000 3.054 421 Y HA -0.250 4.300 4.550 -0.000 0.000 0.210 421 Y C 0.186 176.120 175.900 0.057 0.000 1.212 421 Y CA -0.227 57.847 58.100 -0.044 0.000 1.118 421 Y CB -1.656 36.664 38.460 -0.234 0.000 1.292 421 Y HN 0.468 nan 8.280 nan 0.000 0.533 422 I N 1.289 121.902 120.570 0.072 0.000 2.671 422 I HA -0.036 4.137 4.170 0.005 0.000 0.285 422 I C 0.547 176.626 176.117 -0.062 0.000 1.148 422 I CA 0.778 62.042 61.300 -0.061 0.000 1.386 422 I CB 0.190 38.069 38.000 -0.201 0.000 1.406 422 I HN 0.197 nan 8.210 nan 0.000 0.540 423 S N 4.190 119.839 115.700 -0.085 0.000 2.600 423 S HA 0.727 5.200 4.470 0.005 0.000 0.300 423 S C -0.205 174.330 174.600 -0.109 0.000 1.087 423 S CA -0.715 57.382 58.200 -0.172 0.000 0.965 423 S CB 2.525 65.486 63.200 -0.398 0.000 1.089 423 S HN 0.682 nan 8.310 nan 0.000 0.496 424 T N 0.629 115.146 114.554 -0.063 0.000 2.853 424 T HA 0.382 4.735 4.350 0.005 0.000 0.311 424 T C -1.493 173.373 174.700 0.276 0.000 1.307 424 T CA -0.772 61.390 62.100 0.104 0.000 1.019 424 T CB 1.259 70.104 68.868 -0.039 0.000 1.264 424 T HN 0.626 nan 8.240 nan 0.000 0.497 425 K N 2.191 122.806 120.400 0.358 0.000 2.412 425 K HA 0.558 4.881 4.320 0.005 0.000 0.281 425 K C 0.287 177.003 176.600 0.194 0.000 1.027 425 K CA -0.321 56.163 56.287 0.329 0.000 0.989 425 K CB 0.417 33.033 32.500 0.193 0.000 0.935 425 K HN 0.687 nan 8.250 nan 0.000 0.475 426 A N 3.477 126.389 122.820 0.154 0.000 2.425 426 A HA 0.183 4.506 4.320 0.005 0.000 0.242 426 A C -0.246 177.355 177.584 0.029 0.000 1.077 426 A CA -0.592 51.492 52.037 0.078 0.000 0.781 426 A CB 0.547 19.581 19.000 0.056 0.000 1.020 426 A HN 0.571 nan 8.150 nan 0.000 0.494 427 V N 1.758 121.654 119.914 -0.029 0.000 2.585 427 V HA 0.404 4.527 4.120 0.005 0.000 0.296 427 V C 1.655 177.702 176.094 -0.078 0.000 1.035 427 V CA 1.558 63.780 62.300 -0.129 0.000 1.084 427 V CB 0.159 31.862 31.823 -0.201 0.000 0.953 427 V HN 1.914 nan 8.190 nan 0.000 0.483 428 G N 3.877 112.629 108.800 -0.079 0.000 2.189 428 G HA2 -0.246 3.717 3.960 0.005 0.000 0.267 428 G HA3 -0.246 3.717 3.960 0.005 0.000 0.267 428 G C 0.276 175.169 174.900 -0.012 0.000 0.975 428 G CA 0.887 45.962 45.100 -0.042 0.000 0.644 428 G HN 1.541 nan 8.290 nan 0.000 0.537 429 S N -2.150 113.551 115.700 0.002 0.000 2.752 429 S HA 0.648 5.121 4.470 0.005 0.000 0.284 429 S C 0.203 174.824 174.600 0.035 0.000 1.189 429 S CA 0.099 58.308 58.200 0.016 0.000 0.835 429 S CB 1.026 64.235 63.200 0.016 0.000 1.192 429 S HN 0.027 nan 8.310 nan 0.000 0.506 430 N N 0.736 119.458 118.700 0.037 0.000 2.230 430 N HA 0.398 5.141 4.740 0.005 0.000 0.202 430 N C 0.453 176.042 175.510 0.130 0.000 1.119 430 N CA 0.385 53.465 53.050 0.050 0.000 0.851 430 N CB 0.386 38.875 38.487 0.004 0.000 0.990 430 N HN 0.819 nan 8.380 nan 0.000 0.497 431 A N 0.805 123.693 122.820 0.114 0.000 2.448 431 A HA 0.142 4.465 4.320 0.005 0.000 0.239 431 A C 0.670 178.376 177.584 0.203 0.000 1.080 431 A CA -0.184 51.925 52.037 0.120 0.000 0.779 431 A CB 0.350 19.381 19.000 0.051 0.000 1.026 431 A HN 0.262 nan 8.150 nan 0.000 0.499 432 R N 1.501 122.042 120.500 0.069 0.000 2.221 432 R HA 0.332 4.675 4.340 0.005 0.000 0.327 432 R C -0.827 175.359 176.300 -0.190 0.000 1.033 432 R CA -0.474 55.476 56.100 -0.249 0.000 0.887 432 R CB 0.381 30.274 30.300 -0.678 0.000 1.057 432 R HN 0.673 nan 8.270 nan 0.000 0.455 433 M N 4.099 123.613 119.600 -0.144 0.000 2.063 433 M HA 0.142 4.625 4.480 0.005 0.000 0.348 433 M C -0.854 175.377 176.300 -0.115 0.000 1.180 433 M CA -0.767 54.488 55.300 -0.075 0.000 1.059 433 M CB 0.960 33.560 32.600 0.001 0.000 1.544 433 M HN 0.583 nan 8.290 nan 0.000 0.447 434 D N 3.965 124.311 120.400 -0.090 0.000 2.312 434 D HA 0.246 4.889 4.640 0.005 0.000 0.252 434 D C 0.300 176.591 176.300 -0.015 0.000 1.150 434 D CA 0.031 53.995 54.000 -0.059 0.000 0.870 434 D CB 1.164 41.949 40.800 -0.025 0.000 1.153 434 D HN 0.515 nan 8.370 nan 0.000 0.457 435 V N 1.303 121.218 119.914 0.002 0.000 2.988 435 V HA 0.148 4.270 4.120 0.005 0.000 0.356 435 V C 1.399 177.566 176.094 0.121 0.000 1.380 435 V CA -0.309 62.025 62.300 0.057 0.000 1.184 435 V CB 0.022 31.886 31.823 0.068 0.000 1.204 435 V HN 0.424 nan 8.190 nan 0.000 0.530 436 T N 1.886 116.478 114.554 0.063 0.000 2.684 436 T HA -0.212 4.141 4.350 0.005 0.000 0.267 436 T C 1.629 176.380 174.700 0.085 0.000 1.036 436 T CA 2.377 64.513 62.100 0.061 0.000 1.148 436 T CB -0.442 68.421 68.868 -0.007 0.000 0.863 436 T HN 0.868 nan 8.240 nan 0.000 0.436 437 D N 1.393 121.817 120.400 0.041 0.000 2.311 437 D HA -0.156 4.487 4.640 0.005 0.000 0.212 437 D C 1.681 177.974 176.300 -0.012 0.000 0.972 437 D CA 0.849 54.850 54.000 0.002 0.000 0.887 437 D CB -0.132 40.663 40.800 -0.008 0.000 0.915 437 D HN 0.227 nan 8.370 nan 0.000 0.497 438 K N -0.387 120.045 120.400 0.054 0.000 2.262 438 K HA -0.023 4.300 4.320 0.005 0.000 0.200 438 K C 1.622 178.201 176.600 -0.035 0.000 1.049 438 K CA 0.424 56.717 56.287 0.009 0.000 0.979 438 K CB -0.306 32.212 32.500 0.030 0.000 0.773 438 K HN 0.325 nan 8.250 nan 0.000 0.474 439 Y N 1.286 121.586 120.300 -0.001 0.000 2.503 439 Y HA 0.031 4.579 4.550 -0.003 0.000 0.278 439 Y C 0.460 176.352 175.900 -0.014 0.000 1.111 439 Y CA 0.135 58.245 58.100 0.017 0.000 1.270 439 Y CB 0.490 38.974 38.460 0.041 0.000 1.063 439 Y HN -0.031 nan 8.280 nan 0.000 0.548 440 K N -2.409 118.051 120.400 0.101 0.000 2.575 440 K HA 0.332 4.655 4.320 0.005 0.000 0.279 440 K C -1.750 174.868 176.600 0.030 0.000 0.969 440 K CA -0.948 55.386 56.287 0.078 0.000 0.868 440 K CB 0.776 33.310 32.500 0.057 0.000 1.457 440 K HN -0.217 nan 8.250 nan 0.000 0.426 441 Y N 1.022 121.366 120.300 0.074 0.000 2.379 441 Y HA 0.203 4.757 4.550 0.007 0.000 0.337 441 Y C -1.920 174.008 175.900 0.048 0.000 1.238 441 Y CA -1.529 56.610 58.100 0.064 0.000 1.405 441 Y CB 0.433 38.937 38.460 0.072 0.000 1.310 441 Y HN 0.462 nan 8.280 nan 0.000 0.569 442 P HA -0.117 nan 4.420 nan 0.000 0.257 442 P C -0.691 176.682 177.300 0.122 0.000 1.162 442 P CA 0.461 63.632 63.100 0.118 0.000 0.762 442 P CB 0.346 32.108 31.700 0.105 0.000 0.753 443 E N 2.658 122.921 120.200 0.105 0.000 2.465 443 E HA 0.140 4.493 4.350 0.005 0.000 0.260 443 E C 1.606 178.318 176.600 0.187 0.000 0.980 443 E CA 1.320 57.831 56.400 0.186 0.000 0.927 443 E CB -0.035 29.787 29.700 0.203 0.000 0.934 443 E HN 0.782 nan 8.360 nan 0.000 0.459 444 G N 2.474 111.430 108.800 0.259 0.000 2.175 444 G HA2 -0.276 3.687 3.960 0.005 0.000 0.244 444 G HA3 -0.276 3.687 3.960 0.005 0.000 0.244 444 G C 0.307 175.258 174.900 0.085 0.000 0.982 444 G CA 0.408 45.579 45.100 0.118 0.000 0.641 444 G HN 0.698 nan 8.290 nan 0.000 0.527 445 S N -0.547 115.211 115.700 0.097 0.000 2.593 445 S HA 0.655 5.128 4.470 0.005 0.000 0.297 445 S C 0.757 175.386 174.600 0.049 0.000 1.112 445 S CA 0.129 58.371 58.200 0.070 0.000 1.043 445 S CB 2.205 65.462 63.200 0.094 0.000 1.054 445 S HN -0.023 nan 8.310 nan 0.000 0.516 446 D N 1.266 121.679 120.400 0.022 0.000 2.117 446 D HA -0.108 4.535 4.640 0.005 0.000 0.197 446 D C 1.794 178.073 176.300 -0.036 0.000 0.987 446 D CA 1.510 55.509 54.000 -0.001 0.000 0.829 446 D CB -0.216 40.578 40.800 -0.009 0.000 0.961 446 D HN 0.601 nan 8.370 nan 0.000 0.460 447 Q N 1.012 120.759 119.800 -0.089 0.000 2.014 447 Q HA -0.183 4.160 4.340 0.005 0.000 0.207 447 Q C 1.995 177.893 176.000 -0.169 0.000 0.993 447 Q CA 1.164 56.801 55.803 -0.275 0.000 0.850 447 Q CB -0.525 27.859 28.738 -0.590 0.000 0.916 447 Q HN 0.276 nan 8.270 nan 0.000 0.417 448 E N 0.526 120.729 120.200 0.005 0.000 2.086 448 E HA -0.290 4.063 4.350 0.005 0.000 0.205 448 E C 1.973 178.641 176.600 0.112 0.000 1.027 448 E CA 1.644 58.119 56.400 0.124 0.000 0.830 448 E CB 0.014 29.784 29.700 0.117 0.000 0.751 448 E HN 0.069 nan 8.360 nan 0.000 0.456 449 R N 0.421 120.954 120.500 0.054 0.000 2.092 449 R HA -0.034 4.309 4.340 0.005 0.000 0.231 449 R C 2.514 178.882 176.300 0.113 0.000 1.119 449 R CA 1.626 57.766 56.100 0.066 0.000 0.970 449 R CB -0.389 29.920 30.300 0.016 0.000 0.864 449 R HN 0.347 nan 8.270 nan 0.000 0.440 450 Q N -0.832 118.993 119.800 0.042 0.000 2.084 450 Q HA -0.091 4.252 4.340 0.005 0.000 0.202 450 Q C 1.951 177.979 176.000 0.046 0.000 0.978 450 Q CA 1.594 57.409 55.803 0.020 0.000 0.844 450 Q CB -0.019 28.689 28.738 -0.049 0.000 0.898 450 Q HN 0.127 nan 8.270 nan 0.000 0.426 451 V N 0.410 120.366 119.914 0.069 0.000 2.358 451 V HA -0.228 3.895 4.120 0.005 0.000 0.246 451 V C 1.869 178.074 176.094 0.185 0.000 1.047 451 V CA 1.582 63.957 62.300 0.125 0.000 1.035 451 V CB -0.594 31.372 31.823 0.238 0.000 0.658 451 V HN 0.293 nan 8.190 nan 0.000 0.452 452 F N 0.900 120.943 119.950 0.154 0.000 2.065 452 F HA -0.250 4.278 4.527 0.003 0.000 0.298 452 F C 2.665 178.494 175.800 0.048 0.000 1.112 452 F CA 2.011 60.120 58.000 0.181 0.000 1.212 452 F CB -0.242 38.835 39.000 0.128 0.000 0.975 452 F HN 0.087 nan 8.300 nan 0.000 0.476 453 Q N 0.634 120.553 119.800 0.199 0.000 2.084 453 Q HA -0.250 4.093 4.340 0.005 0.000 0.202 453 Q C 2.307 178.272 176.000 -0.058 0.000 0.978 453 Q CA 1.809 57.654 55.803 0.070 0.000 0.844 453 Q CB -0.659 28.137 28.738 0.096 0.000 0.898 453 Q HN 0.520 nan 8.270 nan 0.000 0.426 454 K N 0.321 120.685 120.400 -0.059 0.000 2.032 454 K HA -0.142 4.180 4.320 0.005 0.000 0.209 454 K C 1.980 178.460 176.600 -0.199 0.000 1.048 454 K CA 1.432 57.658 56.287 -0.102 0.000 0.927 454 K CB -0.097 32.358 32.500 -0.075 0.000 0.712 454 K HN 0.122 nan 8.250 nan 0.000 0.441 455 A N 1.124 123.745 122.820 -0.331 0.000 1.930 455 A HA -0.119 4.204 4.320 0.005 0.000 0.217 455 A C 2.022 179.350 177.584 -0.428 0.000 1.175 455 A CA 1.200 52.919 52.037 -0.531 0.000 0.627 455 A CB -0.508 17.832 19.000 -1.100 0.000 0.815 455 A HN 0.405 nan 8.150 nan 0.000 0.443 456 L N -0.027 120.952 121.223 -0.407 0.000 2.217 456 L HA 0.077 4.420 4.340 0.005 0.000 0.211 456 L C 2.268 179.032 176.870 -0.176 0.000 1.107 456 L CA 1.921 56.577 54.840 -0.307 0.000 0.783 456 L CB -0.831 41.046 42.059 -0.304 0.000 0.919 456 L HN 0.280 nan 8.230 nan 0.000 0.442 457 G N -0.941 107.769 108.800 -0.151 0.000 2.421 457 G HA2 -0.204 3.759 3.960 0.005 0.000 0.217 457 G HA3 -0.204 3.759 3.960 0.005 0.000 0.217 457 G C 1.637 176.474 174.900 -0.104 0.000 1.143 457 G CA 0.498 45.539 45.100 -0.100 0.000 0.784 457 G HN 0.398 nan 8.290 nan 0.000 0.541 458 K N -0.236 120.081 120.400 -0.139 0.000 2.228 458 K HA 0.216 4.539 4.320 0.005 0.000 0.202 458 K C 2.284 178.813 176.600 -0.117 0.000 1.051 458 K CA 0.249 56.459 56.287 -0.128 0.000 0.960 458 K CB -0.067 32.338 32.500 -0.158 0.000 0.743 458 K HN 0.271 nan 8.250 nan 0.000 0.458 459 L N 0.433 121.578 121.223 -0.130 0.000 2.127 459 L HA -0.039 4.304 4.340 0.005 0.000 0.203 459 L C 0.391 177.218 176.870 -0.072 0.000 1.080 459 L CA 1.002 55.781 54.840 -0.103 0.000 0.768 459 L CB 0.074 42.065 42.059 -0.114 0.000 0.924 459 L HN -0.024 nan 8.230 nan 0.000 0.444 460 K N 0.163 120.522 120.400 -0.069 0.000 2.705 460 K HA 0.360 4.683 4.320 0.005 0.000 0.238 460 K C -2.356 174.219 176.600 -0.041 0.000 0.996 460 K CA -1.408 54.852 56.287 -0.045 0.000 1.007 460 K CB 1.685 34.166 32.500 -0.032 0.000 1.206 460 K HN -0.156 nan 8.250 nan 0.000 0.488 480 P HA 0.141 nan 4.420 nan 0.000 0.266 480 P C -0.111 177.188 177.300 -0.001 0.000 1.195 480 P CA 0.303 63.402 63.100 -0.002 0.000 0.768 480 P CB 1.195 32.892 31.700 -0.004 0.000 0.838 481 S N 0.976 116.676 115.700 0.001 0.000 2.446 481 S HA 0.070 4.543 4.470 0.005 0.000 0.225 481 S C 0.831 175.433 174.600 0.003 0.000 1.016 481 S CA 0.453 58.655 58.200 0.002 0.000 0.943 481 S CB 0.046 63.249 63.200 0.004 0.000 0.786 481 S HN 0.347 nan 8.310 nan 0.000 0.508 482 I N 3.064 123.637 120.570 0.004 0.000 2.377 482 I HA 0.448 4.621 4.170 0.005 0.000 0.293 482 I C -0.285 175.832 176.117 0.001 0.000 0.987 482 I CA -1.037 60.266 61.300 0.005 0.000 1.185 482 I CB 1.091 39.096 38.000 0.007 0.000 1.341 482 I HN 0.135 nan 8.210 nan 0.000 0.455 483 I N 2.258 122.829 120.570 0.002 0.000 2.465 483 I HA 0.923 5.096 4.170 0.005 0.000 0.291 483 I C 0.024 176.143 176.117 0.003 0.000 1.014 483 I CA -0.504 60.795 61.300 -0.001 0.000 1.093 483 I CB 2.127 40.126 38.000 -0.003 0.000 1.267 483 I HN 0.535 nan 8.210 nan 0.000 0.431 484 G N 3.590 112.390 108.800 0.000 0.000 2.498 484 G HA2 0.726 4.689 3.960 0.005 0.000 0.312 484 G HA3 0.726 4.689 3.960 0.005 0.000 0.312 484 G C -1.564 173.340 174.900 0.006 0.000 1.230 484 G CA -0.729 44.375 45.100 0.006 0.000 0.968 484 G HN 0.723 nan 8.290 nan 0.000 0.481 485 K N 0.219 120.628 120.400 0.015 0.000 2.557 485 K HA 0.468 4.791 4.320 0.005 0.000 0.257 485 K C -1.705 174.910 176.600 0.024 0.000 0.933 485 K CA -0.555 55.742 56.287 0.015 0.000 0.820 485 K CB 1.434 33.942 32.500 0.012 0.000 1.330 485 K HN 0.339 nan 8.250 nan 0.000 0.432 486 L N 4.490 125.728 121.223 0.025 0.000 2.265 486 L HA 0.527 4.870 4.340 0.005 0.000 0.289 486 L C -0.198 176.685 176.870 0.022 0.000 1.033 486 L CA -0.559 54.298 54.840 0.029 0.000 0.814 486 L CB 1.338 43.419 42.059 0.036 0.000 1.203 486 L HN 0.472 nan 8.230 nan 0.000 0.423 487 K N 2.639 123.049 120.400 0.016 0.000 2.203 487 K HA 0.548 4.871 4.320 0.005 0.000 0.251 487 K C -0.966 175.635 176.600 0.002 0.000 0.944 487 K CA -0.886 55.407 56.287 0.009 0.000 0.829 487 K CB 2.843 35.347 32.500 0.008 0.000 1.125 487 K HN 0.190 nan 8.250 nan 0.000 0.430 488 V N 2.187 122.101 119.914 -0.001 0.000 2.432 488 V HA 0.211 4.334 4.120 0.005 0.000 0.271 488 V C -0.041 176.048 176.094 -0.010 0.000 1.046 488 V CA -0.524 61.772 62.300 -0.008 0.000 0.945 488 V CB 1.021 32.841 31.823 -0.005 0.000 0.992 488 V HN 0.861 nan 8.190 nan 0.000 0.471 489 A N 4.906 127.717 122.820 -0.015 0.000 2.366 489 A HA 0.778 5.101 4.320 0.005 0.000 0.322 489 A C 0.782 178.359 177.584 -0.011 0.000 1.397 489 A CA 0.443 52.472 52.037 -0.013 0.000 0.984 489 A CB -0.235 18.755 19.000 -0.017 0.000 1.149 489 A HN 1.791 nan 8.150 nan 0.000 0.540 490 G N 1.318 110.113 108.800 -0.008 0.000 2.482 490 G HA2 -0.073 3.890 3.960 0.005 0.000 0.214 490 G HA3 -0.073 3.890 3.960 0.005 0.000 0.214 490 G C -0.038 174.859 174.900 -0.004 0.000 1.271 490 G CA -0.098 44.998 45.100 -0.006 0.000 0.944 490 G HN 1.132 nan 8.290 nan 0.000 0.568 491 M N 0.562 120.162 119.600 0.000 0.000 2.188 491 M HA 0.668 5.151 4.480 0.005 0.000 0.357 491 M C -0.439 175.868 176.300 0.012 0.000 1.204 491 M CA -0.478 54.825 55.300 0.004 0.000 1.095 491 M CB 0.596 33.198 32.600 0.003 0.000 1.604 491 M HN 0.418 nan 8.290 nan 0.000 0.464 492 L N 4.898 126.129 121.223 0.012 0.000 2.294 492 L HA 0.745 5.088 4.340 0.005 0.000 0.283 492 L C -0.751 176.140 176.870 0.034 0.000 1.015 492 L CA -0.561 54.290 54.840 0.017 0.000 0.831 492 L CB 1.352 43.412 42.059 0.002 0.000 1.217 492 L HN 0.830 nan 8.230 nan 0.000 0.420 493 A N 3.137 125.995 122.820 0.063 0.000 2.488 493 A HA 0.623 4.946 4.320 0.005 0.000 0.298 493 A C -0.716 176.973 177.584 0.176 0.000 1.044 493 A CA -0.533 51.560 52.037 0.093 0.000 0.693 493 A CB 1.697 20.735 19.000 0.063 0.000 1.272 493 A HN 0.257 nan 8.150 nan 0.000 0.402 494 V N 2.330 122.392 119.914 0.247 0.000 2.475 494 V HA 0.417 4.539 4.120 0.005 0.000 0.292 494 V C 1.475 177.789 176.094 0.367 0.000 1.003 494 V CA 2.083 64.635 62.300 0.420 0.000 1.120 494 V CB -0.109 32.036 31.823 0.536 0.000 0.937 494 V HN 2.092 nan 8.190 nan 0.000 0.476 495 G N 4.628 113.563 108.800 0.225 0.000 2.617 495 G HA2 -0.144 3.819 3.960 0.005 0.000 0.197 495 G HA3 -0.144 3.819 3.960 0.005 0.000 0.197 495 G C 0.233 175.058 174.900 -0.125 0.000 1.017 495 G CA -0.373 44.553 45.100 -0.289 0.000 0.713 495 G HN 0.552 nan 8.290 nan 0.000 0.481 496 K N 1.559 122.028 120.400 0.115 0.000 2.087 496 K HA 0.491 4.814 4.320 0.005 0.000 0.255 496 K C 0.512 177.266 176.600 0.257 0.000 0.988 496 K CA -0.370 55.993 56.287 0.126 0.000 0.915 496 K CB 1.468 34.021 32.500 0.088 0.000 1.043 496 K HN 0.529 nan 8.250 nan 0.000 0.457 497 E N 0.949 121.263 120.200 0.189 0.000 2.408 497 E HA 0.059 4.411 4.350 0.005 0.000 0.259 497 E C -0.932 175.777 176.600 0.181 0.000 1.110 497 E CA -0.527 56.006 56.400 0.221 0.000 0.929 497 E CB 0.813 30.587 29.700 0.123 0.000 0.971 497 E HN 0.069 nan 8.360 nan 0.000 0.438 498 V N 3.505 123.521 119.914 0.170 0.000 2.383 498 V HA 0.211 4.334 4.120 0.005 0.000 0.275 498 V C -0.301 175.776 176.094 -0.029 0.000 1.036 498 V CA -0.721 61.602 62.300 0.039 0.000 0.889 498 V CB 0.974 32.780 31.823 -0.029 0.000 0.985 498 V HN 0.641 nan 8.190 nan 0.000 0.459 499 N N 5.286 123.965 118.700 -0.035 0.000 2.442 499 N HA 0.643 5.386 4.740 0.005 0.000 0.274 499 N C -1.104 174.369 175.510 -0.062 0.000 1.002 499 N CA -0.373 52.644 53.050 -0.056 0.000 0.910 499 N CB 2.423 40.894 38.487 -0.027 0.000 1.244 499 N HN 0.368 nan 8.380 nan 0.000 0.492 500 L N 1.071 122.239 121.223 -0.093 0.000 2.257 500 L HA 0.694 5.037 4.340 0.005 0.000 0.257 500 L C -0.267 176.574 176.870 -0.048 0.000 1.033 500 L CA -0.976 53.824 54.840 -0.066 0.000 0.835 500 L CB 1.841 43.852 42.059 -0.080 0.000 1.398 500 L HN 0.096 nan 8.230 nan 0.000 0.429 501 V N 1.322 121.228 119.914 -0.012 0.000 2.777 501 V HA 0.415 4.538 4.120 0.005 0.000 0.306 501 V C -1.283 174.838 176.094 0.045 0.000 1.112 501 V CA -0.544 61.765 62.300 0.015 0.000 0.917 501 V CB 2.234 34.062 31.823 0.008 0.000 1.018 501 V HN 0.541 nan 8.190 nan 0.000 0.426 502 L N 5.888 127.166 121.223 0.092 0.000 2.255 502 L HA 0.641 4.984 4.340 0.005 0.000 0.289 502 L C -0.760 176.158 176.870 0.080 0.000 1.046 502 L CA -0.060 54.836 54.840 0.093 0.000 0.816 502 L CB 1.069 43.206 42.059 0.130 0.000 1.197 502 L HN 0.638 nan 8.230 nan 0.000 0.427 503 L N 6.437 127.691 121.223 0.051 0.000 2.265 503 L HA 0.536 4.879 4.340 0.005 0.000 0.288 503 L C -1.137 175.755 176.870 0.036 0.000 1.058 503 L CA 0.181 55.046 54.840 0.042 0.000 0.809 503 L CB 0.699 42.774 42.059 0.028 0.000 1.179 503 L HN 0.607 nan 8.230 nan 0.000 0.429 504 L N 5.353 126.599 121.223 0.038 0.000 2.362 504 L HA 0.608 4.951 4.340 0.005 0.000 0.271 504 L C -0.524 176.360 176.870 0.024 0.000 1.002 504 L CA -0.802 54.055 54.840 0.029 0.000 0.818 504 L CB 2.016 44.094 42.059 0.033 0.000 1.298 504 L HN 0.586 nan 8.230 nan 0.000 0.420 505 K N 1.931 122.341 120.400 0.017 0.000 2.468 505 K HA 0.328 4.651 4.320 0.005 0.000 0.252 505 K C -1.143 175.463 176.600 0.010 0.000 0.932 505 K CA -0.750 55.545 56.287 0.013 0.000 0.794 505 K CB 1.908 34.414 32.500 0.010 0.000 1.241 505 K HN 0.426 nan 8.250 nan 0.000 0.428 506 N N 4.874 123.580 118.700 0.010 0.000 2.462 506 N HA 0.179 4.922 4.740 0.005 0.000 0.242 506 N C 0.133 175.647 175.510 0.006 0.000 1.010 506 N CA -0.283 52.772 53.050 0.008 0.000 0.939 506 N CB 0.558 39.051 38.487 0.010 0.000 1.127 506 N HN 0.636 nan 8.380 nan 0.000 0.509 507 L N 1.218 122.443 121.223 0.004 0.000 2.591 507 L HA 0.124 4.467 4.340 0.005 0.000 0.228 507 L C 1.105 177.975 176.870 0.001 0.000 1.133 507 L CA -0.101 54.740 54.840 0.002 0.000 0.880 507 L CB -0.563 41.495 42.059 -0.001 0.000 1.033 507 L HN 0.466 nan 8.230 nan 0.000 0.450 508 S N -0.323 115.378 115.700 0.002 0.000 2.707 508 S HA 0.301 4.774 4.470 0.005 0.000 0.276 508 S C 0.924 175.526 174.600 0.002 0.000 1.179 508 S CA -0.717 57.484 58.200 0.002 0.000 0.992 508 S CB 1.273 64.474 63.200 0.002 0.000 1.030 508 S HN 0.205 nan 8.310 nan 0.000 0.554 509 R N 0.123 120.624 120.500 0.002 0.000 2.317 509 R HA 0.264 4.606 4.340 0.005 0.000 0.208 509 R C -0.588 175.713 176.300 0.003 0.000 0.914 509 R CA 0.040 56.142 56.100 0.002 0.000 1.060 509 R CB -0.155 30.146 30.300 0.001 0.000 1.015 509 R HN 0.595 nan 8.270 nan 0.000 0.498 510 D N 0.026 120.428 120.400 0.003 0.000 2.442 510 D HA 0.180 4.823 4.640 0.005 0.000 0.254 510 D C -0.291 176.013 176.300 0.005 0.000 1.069 510 D CA -0.309 53.693 54.000 0.004 0.000 1.017 510 D CB 1.447 42.248 40.800 0.003 0.000 1.172 510 D HN -0.272 nan 8.370 nan 0.000 0.561 511 T N 1.698 116.255 114.554 0.006 0.000 2.733 511 T HA 0.256 4.609 4.350 0.005 0.000 0.294 511 T C 0.112 174.817 174.700 0.008 0.000 0.956 511 T CA -0.612 61.493 62.100 0.007 0.000 0.987 511 T CB 0.549 69.422 68.868 0.008 0.000 0.920 511 T HN -0.050 nan 8.240 nan 0.000 0.470 512 K N 2.640 123.045 120.400 0.009 0.000 2.123 512 K HA 0.482 4.805 4.320 0.005 0.000 0.259 512 K C -0.159 176.448 176.600 0.012 0.000 0.960 512 K CA -0.645 55.648 56.287 0.009 0.000 0.872 512 K CB 1.877 34.383 32.500 0.009 0.000 1.079 512 K HN 0.381 nan 8.250 nan 0.000 0.440 513 T N 1.715 116.276 114.554 0.011 0.000 2.756 513 T HA 0.302 4.655 4.350 0.005 0.000 0.290 513 T C -0.284 174.423 174.700 0.012 0.000 0.985 513 T CA -0.565 61.542 62.100 0.012 0.000 0.955 513 T CB 0.829 69.704 68.868 0.011 0.000 0.930 513 T HN 0.131 nan 8.240 nan 0.000 0.451 514 V N 4.181 124.103 119.914 0.013 0.000 2.394 514 V HA 0.385 4.508 4.120 0.005 0.000 0.282 514 V C 0.611 176.708 176.094 0.005 0.000 1.031 514 V CA -0.765 61.541 62.300 0.010 0.000 0.881 514 V CB 1.497 33.326 31.823 0.011 0.000 0.982 514 V HN 0.849 nan 8.190 nan 0.000 0.451 515 T N 4.872 119.430 114.554 0.007 0.000 2.771 515 T HA 0.549 4.901 4.350 0.005 0.000 0.291 515 T C -0.234 174.464 174.700 -0.004 0.000 0.954 515 T CA -0.202 61.900 62.100 0.002 0.000 1.045 515 T CB 1.229 70.104 68.868 0.011 0.000 0.917 515 T HN 0.416 nan 8.240 nan 0.000 0.484 516 V N 5.077 124.976 119.914 -0.026 0.000 2.531 516 V HA 0.471 4.594 4.120 0.005 0.000 0.301 516 V C -0.446 175.626 176.094 -0.036 0.000 1.034 516 V CA -1.083 61.195 62.300 -0.037 0.000 0.865 516 V CB 1.860 33.634 31.823 -0.081 0.000 0.995 516 V HN 0.776 nan 8.190 nan 0.000 0.424 517 N N 5.318 124.016 118.700 -0.003 0.000 2.407 517 N HA 0.723 5.466 4.740 0.005 0.000 0.277 517 N C -0.939 174.597 175.510 0.045 0.000 0.995 517 N CA -0.365 52.689 53.050 0.008 0.000 0.903 517 N CB 2.245 40.749 38.487 0.028 0.000 1.218 517 N HN 0.593 nan 8.380 nan 0.000 0.487 518 M N 0.530 120.161 119.600 0.051 0.000 2.602 518 M HA 0.512 4.994 4.480 0.005 0.000 0.312 518 M C 0.038 176.443 176.300 0.175 0.000 1.181 518 M CA -0.699 54.705 55.300 0.173 0.000 0.910 518 M CB 2.488 35.296 32.600 0.346 0.000 1.723 518 M HN 0.507 nan 8.290 nan 0.000 0.459 519 T N -1.042 113.719 114.554 0.346 0.000 2.868 519 T HA 0.921 5.274 4.350 0.005 0.000 0.306 519 T C -1.497 173.534 174.700 0.551 0.000 1.224 519 T CA -0.949 61.390 62.100 0.398 0.000 1.012 519 T CB 2.026 71.166 68.868 0.454 0.000 1.221 519 T HN 0.890 nan 8.240 nan 0.000 0.499 520 A N 1.044 124.184 122.820 0.533 0.000 2.385 520 A HA 0.680 5.003 4.320 0.005 0.000 0.290 520 A C -1.835 175.966 177.584 0.362 0.000 1.094 520 A CA -0.892 51.419 52.037 0.457 0.000 0.729 520 A CB 0.688 19.945 19.000 0.430 0.000 1.194 520 A HN 0.724 nan 8.150 nan 0.000 0.442 521 W N 1.286 122.693 121.300 0.178 0.000 2.736 521 W HA 0.587 5.249 4.660 0.004 0.000 0.335 521 W C 0.553 177.154 176.519 0.137 0.000 1.059 521 W CA -0.098 57.332 57.345 0.141 0.000 1.226 521 W CB 2.111 31.627 29.460 0.095 0.000 1.416 521 W HN 0.755 nan 8.180 nan 0.000 0.505 522 T N 1.542 116.315 114.554 0.365 0.000 2.897 522 T HA 0.736 5.089 4.350 0.005 0.000 0.294 522 T C -0.206 174.669 174.700 0.292 0.000 1.004 522 T CA -0.465 61.807 62.100 0.287 0.000 1.106 522 T CB 0.774 69.808 68.868 0.276 0.000 0.949 522 T HN 0.440 nan 8.240 nan 0.000 0.520 523 I N -0.982 119.724 120.570 0.226 0.000 3.264 523 I HA 0.687 4.860 4.170 0.005 0.000 0.315 523 I C -1.293 174.926 176.117 0.170 0.000 1.154 523 I CA -1.883 59.524 61.300 0.177 0.000 0.962 523 I CB 1.888 39.969 38.000 0.135 0.000 1.265 523 I HN 0.375 nan 8.210 nan 0.000 0.463 524 I N 2.125 122.765 120.570 0.118 0.000 2.498 524 I HA 0.166 4.339 4.170 0.005 0.000 0.301 524 I C 0.880 177.036 176.117 0.066 0.000 0.984 524 I CA -0.504 60.888 61.300 0.153 0.000 1.204 524 I CB 1.305 39.373 38.000 0.114 0.000 1.362 524 I HN 0.936 nan 8.210 nan 0.000 0.471 525 Y N 4.780 125.149 120.300 0.114 0.000 2.283 525 Y HA -0.325 4.229 4.550 0.006 0.000 0.285 525 Y C 1.651 177.485 175.900 -0.110 0.000 1.176 525 Y CA 2.016 60.155 58.100 0.065 0.000 1.229 525 Y CB -0.999 37.531 38.460 0.117 0.000 0.975 525 Y HN 0.748 nan 8.280 nan 0.000 0.537 526 N N -0.399 117.586 118.700 -1.191 0.000 2.459 526 N HA 0.123 4.866 4.740 0.005 0.000 0.181 526 N C 1.569 176.634 175.510 -0.742 0.000 1.046 526 N CA 0.689 52.844 53.050 -1.491 0.000 0.904 526 N CB 0.012 37.074 38.487 -2.376 0.000 0.964 526 N HN 0.551 nan 8.380 nan 0.000 0.444 527 G N -0.822 107.747 108.800 -0.385 0.000 2.205 527 G HA2 -0.224 3.739 3.960 0.005 0.000 0.180 527 G HA3 -0.224 3.739 3.960 0.005 0.000 0.180 527 G C -0.053 174.743 174.900 -0.174 0.000 1.004 527 G CA -0.017 44.969 45.100 -0.191 0.000 0.670 527 G HN 0.323 nan 8.290 nan 0.000 0.496 528 T N 2.836 117.268 114.554 -0.204 0.000 2.792 528 T HA 0.375 4.728 4.350 0.005 0.000 0.286 528 T C 0.989 175.665 174.700 -0.040 0.000 0.970 528 T CA 0.249 62.276 62.100 -0.121 0.000 1.187 528 T CB 0.413 69.234 68.868 -0.079 0.000 0.915 528 T HN 0.340 nan 8.240 nan 0.000 0.529 529 L N 4.532 125.714 121.223 -0.068 0.000 2.410 529 L HA 0.148 4.491 4.340 0.005 0.000 0.273 529 L C 1.311 178.276 176.870 0.158 0.000 1.144 529 L CA -0.428 54.409 54.840 -0.004 0.000 0.863 529 L CB 0.530 42.413 42.059 -0.293 0.000 1.140 529 L HN 0.505 nan 8.230 nan 0.000 0.463 530 V N 1.691 121.793 119.914 0.314 0.000 2.635 530 V HA 0.180 4.303 4.120 0.005 0.000 0.233 530 V C 0.223 176.508 176.094 0.319 0.000 1.097 530 V CA 0.400 62.871 62.300 0.285 0.000 1.134 530 V CB 0.011 31.989 31.823 0.258 0.000 0.841 530 V HN 0.726 nan 8.190 nan 0.000 0.496 531 H N 0.025 119.187 119.070 0.154 0.000 3.079 531 H HA 0.307 4.865 4.556 0.004 0.000 0.356 531 H C -1.218 173.687 175.328 -0.706 0.000 1.221 531 H CA -0.546 55.275 56.048 -0.378 0.000 1.185 531 H CB 2.237 31.549 29.762 -0.750 0.000 1.882 531 H HN 0.416 nan 8.280 nan 0.000 0.543 532 E N 2.591 121.970 120.200 -1.368 0.000 2.316 532 E HA 0.219 4.572 4.350 0.005 0.000 0.275 532 E C 0.152 176.537 176.600 -0.359 0.000 1.029 532 E CA -0.147 55.474 56.400 -1.299 0.000 0.871 532 E CB 0.848 29.729 29.700 -1.366 0.000 1.022 532 E HN 0.430 nan 8.360 nan 0.000 0.418 533 V N 1.721 121.571 119.914 -0.108 0.000 3.502 533 V HA 0.420 4.543 4.120 0.005 0.000 0.288 533 V C -0.218 176.026 176.094 0.251 0.000 1.461 533 V CA -0.527 61.846 62.300 0.121 0.000 1.029 533 V CB -0.453 31.517 31.823 0.246 0.000 0.843 533 V HN 0.666 nan 8.190 nan 0.000 0.438 534 W N 1.846 123.132 121.300 -0.023 0.000 3.645 534 W HA 0.625 5.288 4.660 0.005 0.000 0.285 534 W C -1.679 174.855 176.519 0.026 0.000 1.266 534 W CA -0.621 56.740 57.345 0.027 0.000 1.212 534 W CB 1.426 30.934 29.460 0.079 0.000 1.306 534 W HN 0.212 nan 8.180 nan 0.000 0.552 535 K N 3.629 123.511 120.400 -0.863 0.000 2.575 535 K HA 0.784 5.107 4.320 0.005 0.000 0.279 535 K C -2.110 173.790 176.600 -1.167 0.000 0.969 535 K CA -0.850 54.972 56.287 -0.773 0.000 0.868 535 K CB 2.626 34.935 32.500 -0.317 0.000 1.457 535 K HN 0.309 nan 8.250 nan 0.000 0.426 536 D N -0.323 119.617 120.400 -0.767 0.000 2.766 536 D HA 0.363 5.006 4.640 0.005 0.000 0.244 536 D C -1.734 174.441 176.300 -0.208 0.000 1.198 536 D CA -0.147 53.560 54.000 -0.487 0.000 0.739 536 D CB 2.446 42.923 40.800 -0.539 0.000 1.379 536 D HN 0.569 nan 8.370 nan 0.000 0.437 537 S N -0.021 115.609 115.700 -0.116 0.000 2.599 537 S HA 1.062 5.535 4.470 0.005 0.000 0.294 537 S C -1.210 173.353 174.600 -0.061 0.000 1.094 537 S CA -0.237 57.917 58.200 -0.076 0.000 0.931 537 S CB 1.771 64.941 63.200 -0.050 0.000 1.093 537 S HN 0.789 nan 8.310 nan 0.000 0.488 538 A N 1.241 124.012 122.820 -0.081 0.000 2.599 538 A HA 0.733 5.056 4.320 0.005 0.000 0.294 538 A C -0.946 176.611 177.584 -0.044 0.000 1.055 538 A CA -0.854 51.147 52.037 -0.060 0.000 0.683 538 A CB 1.030 19.941 19.000 -0.147 0.000 1.278 538 A HN 0.840 nan 8.150 nan 0.000 0.412 539 T N -0.091 114.462 114.554 -0.001 0.000 2.840 539 T HA 0.693 5.046 4.350 0.005 0.000 0.287 539 T C -0.305 174.411 174.700 0.025 0.000 0.991 539 T CA -0.485 61.619 62.100 0.007 0.000 0.964 539 T CB 0.710 69.585 68.868 0.012 0.000 0.954 539 T HN 1.188 nan 8.240 nan 0.000 0.438 540 M N 1.320 120.935 119.600 0.024 0.000 2.393 540 M HA 0.680 5.163 4.480 0.005 0.000 0.316 540 M C -0.461 175.857 176.300 0.029 0.000 1.087 540 M CA -0.943 54.381 55.300 0.038 0.000 0.937 540 M CB 2.264 34.897 32.600 0.055 0.000 1.668 540 M HN 0.486 nan 8.290 nan 0.000 0.438 541 S N 3.489 119.206 115.700 0.029 0.000 2.525 541 S HA 0.801 5.274 4.470 0.005 0.000 0.278 541 S C -0.883 173.731 174.600 0.023 0.000 1.234 541 S CA -0.677 57.536 58.200 0.023 0.000 1.058 541 S CB 0.485 63.697 63.200 0.020 0.000 0.983 541 S HN 0.716 nan 8.310 nan 0.000 0.495 542 L N 3.909 125.143 121.223 0.019 0.000 2.409 542 L HA 0.533 4.875 4.340 0.005 0.000 0.272 542 L C -0.540 176.338 176.870 0.014 0.000 0.980 542 L CA -1.028 53.823 54.840 0.018 0.000 0.826 542 L CB 2.013 44.083 42.059 0.019 0.000 1.268 542 L HN 0.515 nan 8.230 nan 0.000 0.407 543 D N 2.629 123.037 120.400 0.013 0.000 2.383 543 D HA 0.274 4.916 4.640 0.005 0.000 0.248 543 D C -2.364 173.942 176.300 0.009 0.000 1.170 543 D CA -1.312 52.694 54.000 0.010 0.000 0.977 543 D CB 1.051 41.857 40.800 0.010 0.000 1.120 543 D HN 0.172 nan 8.370 nan 0.000 0.481 544 P HA -0.042 nan 4.420 nan 0.000 0.260 544 P C 0.132 177.436 177.300 0.006 0.000 1.172 544 P CA 0.917 64.021 63.100 0.006 0.000 0.760 544 P CB 0.358 32.060 31.700 0.005 0.000 0.773 545 E N -0.122 120.082 120.200 0.006 0.000 3.799 545 E HA -0.274 4.079 4.350 0.005 0.000 0.320 545 E C 0.137 176.742 176.600 0.008 0.000 0.760 545 E CA 1.194 57.598 56.400 0.006 0.000 1.153 545 E CB -1.524 28.179 29.700 0.004 0.000 1.589 545 E HN 0.654 nan 8.360 nan 0.000 0.448 546 E N 0.629 120.835 120.200 0.010 0.000 2.383 546 E HA 0.142 4.495 4.350 0.005 0.000 0.264 546 E C -0.471 176.138 176.600 0.015 0.000 1.050 546 E CA 0.028 56.436 56.400 0.012 0.000 0.896 546 E CB 0.561 30.270 29.700 0.014 0.000 0.982 546 E HN 0.176 nan 8.360 nan 0.000 0.424 547 E N 1.386 121.596 120.200 0.016 0.000 2.187 547 E HA 0.554 4.907 4.350 0.005 0.000 0.268 547 E C -1.340 175.274 176.600 0.025 0.000 0.896 547 E CA -0.798 55.613 56.400 0.019 0.000 0.766 547 E CB 1.942 31.651 29.700 0.016 0.000 1.142 547 E HN 0.532 nan 8.360 nan 0.000 0.408 548 A N 3.327 126.167 122.820 0.033 0.000 2.469 548 A HA 0.609 4.932 4.320 0.005 0.000 0.299 548 A C -0.981 176.636 177.584 0.055 0.000 1.098 548 A CA -0.718 51.345 52.037 0.043 0.000 0.737 548 A CB 1.453 20.484 19.000 0.052 0.000 1.312 548 A HN 0.602 nan 8.150 nan 0.000 0.414 549 E N 1.133 121.370 120.200 0.062 0.000 2.234 549 E HA 0.293 4.646 4.350 0.005 0.000 0.266 549 E C -1.611 175.051 176.600 0.103 0.000 0.877 549 E CA -0.572 55.871 56.400 0.070 0.000 0.758 549 E CB 2.068 31.789 29.700 0.036 0.000 1.170 549 E HN 0.650 nan 8.360 nan 0.000 0.415 550 H N 4.187 123.283 119.070 0.043 0.000 2.685 550 H HA 0.313 4.872 4.556 0.004 0.000 0.307 550 H C -2.657 172.707 175.328 0.060 0.000 1.017 550 H CA -2.132 53.953 56.048 0.062 0.000 1.237 550 H CB 1.197 31.009 29.762 0.082 0.000 1.409 550 H HN 0.195 nan 8.280 nan 0.000 0.488 551 P HA 0.102 nan 4.420 nan 0.000 0.268 551 P C -0.316 176.895 177.300 -0.147 0.000 1.204 551 P CA 0.250 63.245 63.100 -0.174 0.000 0.768 551 P CB 0.803 32.408 31.700 -0.158 0.000 0.842 552 I N 3.384 123.885 120.570 -0.115 0.000 2.411 552 I HA 0.307 4.479 4.170 0.005 0.000 0.284 552 I C 0.270 176.188 176.117 -0.332 0.000 1.012 552 I CA -0.603 60.527 61.300 -0.284 0.000 1.119 552 I CB 1.401 39.164 38.000 -0.395 0.000 1.261 552 I HN 0.158 nan 8.210 nan 0.000 0.448 553 K N 8.175 128.395 120.400 -0.301 0.000 2.394 553 K HA 0.643 4.966 4.320 0.005 0.000 0.260 553 K C -1.342 175.124 176.600 -0.224 0.000 0.967 553 K CA -0.476 55.704 56.287 -0.179 0.000 0.855 553 K CB 1.337 33.819 32.500 -0.030 0.000 1.101 553 K HN 0.568 nan 8.250 nan 0.000 0.433 554 I N 3.983 124.458 120.570 -0.158 0.000 2.410 554 I HA 0.123 4.296 4.170 0.005 0.000 0.286 554 I C 0.269 176.493 176.117 0.179 0.000 1.009 554 I CA -0.819 60.479 61.300 -0.004 0.000 1.111 554 I CB 1.826 39.827 38.000 0.001 0.000 1.262 554 I HN 0.653 nan 8.210 nan 0.000 0.443 555 S N 5.062 120.852 115.700 0.150 0.000 2.593 555 S HA 0.062 4.535 4.470 0.005 0.000 0.269 555 S C 1.025 175.594 174.600 -0.052 0.000 1.334 555 S CA -0.166 58.095 58.200 0.103 0.000 1.015 555 S CB 0.849 64.082 63.200 0.055 0.000 0.912 555 S HN 0.632 nan 8.310 nan 0.000 0.541 556 Y N 2.634 122.777 120.300 -0.262 0.000 2.207 556 Y HA -0.062 4.491 4.550 0.004 0.000 0.287 556 Y C 2.397 177.883 175.900 -0.691 0.000 1.156 556 Y CA 1.814 59.455 58.100 -0.766 0.000 1.182 556 Y CB -1.122 37.151 38.460 -0.312 0.000 0.979 556 Y HN 0.848 nan 8.280 nan 0.000 0.521 557 A N 0.282 122.825 122.820 -0.462 0.000 1.908 557 A HA -0.263 4.060 4.320 0.005 0.000 0.218 557 A C 2.135 179.489 177.584 -0.384 0.000 1.181 557 A CA 1.995 53.773 52.037 -0.432 0.000 0.627 557 A CB -0.741 18.154 19.000 -0.174 0.000 0.818 557 A HN 0.685 nan 8.150 nan 0.000 0.445 558 Q N -1.736 117.921 119.800 -0.238 0.000 2.084 558 Q HA -0.189 4.154 4.340 0.005 0.000 0.202 558 Q C 1.919 177.909 176.000 -0.017 0.000 0.978 558 Q CA 1.949 57.715 55.803 -0.062 0.000 0.844 558 Q CB -0.306 28.494 28.738 0.103 0.000 0.898 558 Q HN 1.051 nan 8.270 nan 0.000 0.426 559 Y N -0.257 120.020 120.300 -0.038 0.000 2.507 559 Y HA 0.182 4.735 4.550 0.006 0.000 0.263 559 Y C 1.739 177.570 175.900 -0.115 0.000 1.093 559 Y CA 0.460 58.561 58.100 0.001 0.000 1.285 559 Y CB -0.453 38.046 38.460 0.065 0.000 1.115 559 Y HN 0.055 nan 8.280 nan 0.000 0.533 560 E N 1.678 121.528 120.200 -0.583 0.000 2.130 560 E HA -0.265 4.088 4.350 0.005 0.000 0.196 560 E C 2.132 178.533 176.600 -0.332 0.000 0.998 560 E CA 1.887 57.974 56.400 -0.521 0.000 0.806 560 E CB -0.423 28.509 29.700 -1.280 0.000 0.738 560 E HN 0.504 nan 8.360 nan 0.000 0.459 561 R N -1.138 119.092 120.500 -0.450 0.000 2.189 561 R HA -0.025 4.318 4.340 0.005 0.000 0.218 561 R C 0.866 176.738 176.300 -0.713 0.000 1.074 561 R CA 1.111 56.843 56.100 -0.612 0.000 0.991 561 R CB 0.000 29.798 30.300 -0.838 0.000 0.883 561 R HN 0.390 nan 8.270 nan 0.000 0.457 562 Y N -1.015 119.243 120.300 -0.069 0.000 2.481 562 Y HA 0.168 4.720 4.550 0.004 0.000 0.247 562 Y C 0.012 175.958 175.900 0.077 0.000 1.151 562 Y CA -0.856 57.234 58.100 -0.016 0.000 1.238 562 Y CB 0.696 39.129 38.460 -0.046 0.000 1.179 562 Y HN -0.036 nan 8.280 nan 0.000 0.524 563 L N 2.137 123.480 121.223 0.200 0.000 2.367 563 L HA 0.226 4.568 4.340 0.005 0.000 0.275 563 L C -0.187 176.783 176.870 0.168 0.000 1.129 563 L CA -0.023 54.945 54.840 0.214 0.000 0.839 563 L CB 0.268 42.490 42.059 0.272 0.000 1.133 563 L HN -0.108 nan 8.230 nan 0.000 0.453 564 K N 1.687 122.198 120.400 0.183 0.000 2.267 564 K HA 0.340 4.663 4.320 0.005 0.000 0.236 564 K C 1.220 177.946 176.600 0.209 0.000 1.030 564 K CA 0.207 56.604 56.287 0.184 0.000 0.930 564 K CB 1.081 33.702 32.500 0.201 0.000 1.182 564 K HN 0.653 nan 8.250 nan 0.000 0.474 565 S N -0.731 115.112 115.700 0.238 0.000 2.493 565 S HA -0.149 4.324 4.470 0.005 0.000 0.243 565 S C 0.705 175.441 174.600 0.227 0.000 0.991 565 S CA 1.647 59.984 58.200 0.229 0.000 0.957 565 S CB -0.341 62.999 63.200 0.235 0.000 0.756 565 S HN 0.499 nan 8.310 nan 0.000 0.521 566 D N 1.800 122.354 120.400 0.257 0.000 2.224 566 D HA 0.064 4.707 4.640 0.005 0.000 0.205 566 D C 0.359 176.781 176.300 0.203 0.000 0.965 566 D CA 0.604 54.760 54.000 0.259 0.000 0.852 566 D CB -0.539 40.456 40.800 0.324 0.000 0.947 566 D HN 0.601 nan 8.370 nan 0.000 0.494 567 N N -0.651 118.161 118.700 0.187 0.000 2.735 567 N HA -0.178 4.565 4.740 0.005 0.000 0.248 567 N C -0.897 174.684 175.510 0.118 0.000 1.083 567 N CA 0.022 53.161 53.050 0.148 0.000 0.703 567 N CB -0.824 37.749 38.487 0.144 0.000 1.005 567 N HN 0.255 nan 8.380 nan 0.000 0.550 568 M N 0.730 120.417 119.600 0.146 0.000 2.598 568 M HA 0.610 5.093 4.480 0.005 0.000 0.317 568 M C -0.415 175.963 176.300 0.130 0.000 1.179 568 M CA -0.540 54.844 55.300 0.140 0.000 0.936 568 M CB 2.107 34.823 32.600 0.192 0.000 1.713 568 M HN -0.008 nan 8.290 nan 0.000 0.460 569 I N 1.123 121.762 120.570 0.115 0.000 2.619 569 I HA 0.437 4.610 4.170 0.005 0.000 0.292 569 I C -0.714 175.500 176.117 0.161 0.000 1.100 569 I CA -0.832 60.550 61.300 0.137 0.000 1.043 569 I CB 2.491 40.533 38.000 0.070 0.000 1.239 569 I HN 0.601 nan 8.210 nan 0.000 0.420 570 R N 6.313 126.945 120.500 0.220 0.000 2.207 570 R HA 0.544 4.887 4.340 0.005 0.000 0.334 570 R C -1.208 175.244 176.300 0.254 0.000 1.013 570 R CA -0.252 55.980 56.100 0.220 0.000 0.858 570 R CB 0.487 30.916 30.300 0.216 0.000 1.094 570 R HN 0.420 nan 8.270 nan 0.000 0.457 571 I N 4.234 124.925 120.570 0.201 0.000 2.354 571 I HA 0.388 4.561 4.170 0.005 0.000 0.292 571 I C -0.274 175.960 176.117 0.194 0.000 0.989 571 I CA -0.447 60.975 61.300 0.203 0.000 1.188 571 I CB 1.507 39.579 38.000 0.121 0.000 1.342 571 I HN 0.644 nan 8.210 nan 0.000 0.457 572 T N 4.582 119.274 114.554 0.231 0.000 2.912 572 T HA 0.789 5.141 4.350 0.005 0.000 0.299 572 T C -0.563 174.218 174.700 0.134 0.000 1.052 572 T CA -0.683 61.505 62.100 0.146 0.000 0.996 572 T CB 2.396 71.372 68.868 0.179 0.000 1.070 572 T HN 0.707 nan 8.240 nan 0.000 0.465 573 A N 2.141 124.985 122.820 0.040 0.000 2.411 573 A HA 0.689 5.012 4.320 0.005 0.000 0.285 573 A C -0.819 176.752 177.584 -0.020 0.000 1.129 573 A CA -0.585 51.478 52.037 0.043 0.000 0.736 573 A CB 0.960 19.994 19.000 0.057 0.000 1.186 573 A HN 0.664 nan 8.150 nan 0.000 0.445 574 V N 2.447 122.357 119.914 -0.007 0.000 2.364 574 V HA 0.351 4.474 4.120 0.005 0.000 0.272 574 V C -0.114 175.984 176.094 0.007 0.000 1.036 574 V CA -0.333 61.956 62.300 -0.019 0.000 0.880 574 V CB 0.467 32.294 31.823 0.005 0.000 0.991 574 V HN 0.988 nan 8.190 nan 0.000 0.460 575 C N 4.807 124.110 119.300 0.004 0.000 2.493 575 C HA 0.888 5.351 4.460 0.005 0.000 0.326 575 C C -0.095 174.911 174.990 0.026 0.000 1.200 575 C CA -1.243 57.782 59.018 0.011 0.000 1.739 575 C CB 1.209 28.951 27.740 0.004 0.000 2.300 575 C HN 0.951 nan 8.230 nan 0.000 0.500 576 K N 0.884 121.302 120.400 0.029 0.000 2.562 576 K HA 0.730 5.053 4.320 0.005 0.000 0.267 576 K C -1.422 175.194 176.600 0.025 0.000 0.938 576 K CA -0.431 55.877 56.287 0.037 0.000 0.840 576 K CB 2.069 34.605 32.500 0.060 0.000 1.390 576 K HN 0.788 nan 8.250 nan 0.000 0.428 577 V N -0.296 119.631 119.914 0.022 0.000 2.769 577 V HA 0.654 4.777 4.120 0.005 0.000 0.312 577 V C -2.714 173.387 176.094 0.012 0.000 1.061 577 V CA -2.673 59.636 62.300 0.015 0.000 0.931 577 V CB 1.179 33.009 31.823 0.012 0.000 1.010 577 V HN 0.668 nan 8.190 nan 0.000 0.433 578 P HA 0.090 nan 4.420 nan 0.000 0.263 578 P C 0.223 177.522 177.300 -0.002 0.000 1.175 578 P CA 1.231 64.331 63.100 0.001 0.000 0.761 578 P CB 0.102 31.802 31.700 -0.001 0.000 0.794 579 D N 0.221 120.616 120.400 -0.008 0.000 3.059 579 D HA -0.205 4.438 4.640 0.005 0.000 0.220 579 D C -0.586 175.710 176.300 -0.006 0.000 1.169 579 D CA 1.433 55.426 54.000 -0.012 0.000 0.902 579 D CB -0.999 39.795 40.800 -0.010 0.000 1.116 579 D HN 0.518 nan 8.370 nan 0.000 0.417 580 E N -0.597 119.605 120.200 0.002 0.000 2.317 580 E HA 0.492 4.845 4.350 0.005 0.000 0.270 580 E C -0.565 176.051 176.600 0.027 0.000 0.885 580 E CA -0.887 55.519 56.400 0.011 0.000 0.760 580 E CB 1.614 31.321 29.700 0.012 0.000 1.227 580 E HN 0.030 nan 8.360 nan 0.000 0.434 581 S N 1.902 117.624 115.700 0.037 0.000 2.568 581 S HA 0.004 4.477 4.470 0.005 0.000 0.282 581 S C -0.098 174.553 174.600 0.084 0.000 1.338 581 S CA -0.195 58.051 58.200 0.077 0.000 1.045 581 S CB 0.328 63.573 63.200 0.075 0.000 0.873 581 S HN 0.356 nan 8.310 nan 0.000 0.516 582 E N 0.846 121.131 120.200 0.141 0.000 2.436 582 E HA 0.156 4.509 4.350 0.005 0.000 0.262 582 E C -0.711 175.916 176.600 0.046 0.000 1.063 582 E CA 0.195 56.659 56.400 0.107 0.000 0.944 582 E CB 0.353 30.147 29.700 0.156 0.000 0.950 582 E HN 0.256 nan 8.360 nan 0.000 0.444 583 V N 3.295 123.218 119.914 0.016 0.000 2.409 583 V HA 0.243 4.366 4.120 0.005 0.000 0.291 583 V C -0.596 175.471 176.094 -0.044 0.000 1.020 583 V CA -0.804 61.487 62.300 -0.013 0.000 0.848 583 V CB 1.636 33.455 31.823 -0.008 0.000 0.990 583 V HN 0.374 nan 8.190 nan 0.000 0.430 584 V N 6.125 125.987 119.914 -0.085 0.000 2.370 584 V HA 0.448 4.571 4.120 0.005 0.000 0.279 584 V C -0.088 175.920 176.094 -0.142 0.000 1.029 584 V CA -0.527 61.675 62.300 -0.163 0.000 0.870 584 V CB 1.728 33.389 31.823 -0.271 0.000 0.984 584 V HN 0.598 nan 8.190 nan 0.000 0.451 585 V N 5.095 124.935 119.914 -0.123 0.000 2.417 585 V HA 0.507 4.630 4.120 0.005 0.000 0.291 585 V C -0.136 175.916 176.094 -0.071 0.000 1.024 585 V CA -0.601 61.658 62.300 -0.068 0.000 0.861 585 V CB 1.566 33.376 31.823 -0.021 0.000 0.985 585 V HN 0.954 nan 8.190 nan 0.000 0.436 586 E N 3.575 123.754 120.200 -0.036 0.000 2.256 586 E HA 0.852 5.205 4.350 0.005 0.000 0.267 586 E C -0.823 175.812 176.600 0.058 0.000 0.892 586 E CA -1.097 55.312 56.400 0.016 0.000 0.775 586 E CB 2.680 32.402 29.700 0.038 0.000 1.207 586 E HN 0.461 nan 8.360 nan 0.000 0.420 587 R N 1.866 122.420 120.500 0.089 0.000 2.603 587 R HA 0.224 4.567 4.340 0.005 0.000 0.280 587 R C -2.165 174.201 176.300 0.110 0.000 1.185 587 R CA -0.428 55.725 56.100 0.090 0.000 1.039 587 R CB 0.645 30.984 30.300 0.065 0.000 1.247 587 R HN 0.397 nan 8.270 nan 0.000 0.413 588 D N 5.045 125.518 120.400 0.122 0.000 2.232 588 D HA 0.371 5.014 4.640 0.005 0.000 0.242 588 D C 0.236 176.604 176.300 0.114 0.000 1.093 588 D CA -0.101 53.980 54.000 0.135 0.000 0.845 588 D CB 1.097 41.995 40.800 0.164 0.000 1.124 588 D HN 0.542 nan 8.370 nan 0.000 0.467 589 I N -1.363 119.264 120.570 0.096 0.000 2.648 589 I HA 0.594 4.767 4.170 0.005 0.000 0.304 589 I C -0.493 175.668 176.117 0.073 0.000 1.009 589 I CA -0.989 60.351 61.300 0.067 0.000 1.114 589 I CB 1.824 39.841 38.000 0.029 0.000 1.293 589 I HN 0.078 nan 8.210 nan 0.000 0.449 590 I N 4.790 125.397 120.570 0.062 0.000 2.418 590 I HA 0.334 4.507 4.170 0.005 0.000 0.287 590 I C -1.031 175.110 176.117 0.039 0.000 1.008 590 I CA -0.723 60.617 61.300 0.068 0.000 1.104 590 I CB 1.927 39.977 38.000 0.083 0.000 1.264 590 I HN 0.382 nan 8.210 nan 0.000 0.438 591 L N 5.980 127.225 121.223 0.037 0.000 2.289 591 L HA 0.335 4.677 4.340 0.005 0.000 0.285 591 L C 0.095 177.007 176.870 0.070 0.000 1.049 591 L CA -0.212 54.649 54.840 0.035 0.000 0.804 591 L CB 0.487 42.551 42.059 0.009 0.000 1.195 591 L HN 0.424 nan 8.230 nan 0.000 0.428 592 D N 2.273 122.709 120.400 0.061 0.000 2.382 592 D HA 0.087 4.730 4.640 0.005 0.000 0.245 592 D C 0.086 176.440 176.300 0.090 0.000 1.120 592 D CA -0.048 53.987 54.000 0.058 0.000 0.890 592 D CB 0.805 41.623 40.800 0.030 0.000 1.201 592 D HN 0.390 nan 8.370 nan 0.000 0.433 593 N N 1.690 120.441 118.700 0.084 0.000 2.424 593 N HA 0.220 4.962 4.740 0.005 0.000 0.257 593 N C -2.181 173.334 175.510 0.009 0.000 1.250 593 N CA -0.882 52.223 53.050 0.092 0.000 0.946 593 N CB 0.389 38.927 38.487 0.085 0.000 1.175 593 N HN 0.192 nan 8.380 nan 0.000 0.477 594 P HA 0.047 nan 4.420 nan 0.000 0.272 594 P C -0.450 176.849 177.300 -0.002 0.000 1.230 594 P CA -0.008 63.028 63.100 -0.107 0.000 0.788 594 P CB 0.200 31.731 31.700 -0.282 0.000 0.949 595 T N 1.967 116.497 114.554 -0.040 0.000 2.930 595 T HA 0.210 4.563 4.350 0.005 0.000 0.306 595 T C 0.197 174.943 174.700 0.076 0.000 1.045 595 T CA 0.276 62.373 62.100 -0.006 0.000 1.134 595 T CB -0.042 68.797 68.868 -0.048 0.000 0.961 595 T HN 0.271 nan 8.240 nan 0.000 0.545 596 L N 3.401 124.664 121.223 0.067 0.000 2.362 596 L HA 0.615 4.958 4.340 0.005 0.000 0.275 596 L C -0.417 176.463 176.870 0.016 0.000 0.998 596 L CA -0.039 54.842 54.840 0.068 0.000 0.820 596 L CB 1.960 44.028 42.059 0.016 0.000 1.270 596 L HN 0.679 nan 8.230 nan 0.000 0.415 597 T N 5.353 119.909 114.554 0.004 0.000 2.893 597 T HA 0.663 5.016 4.350 0.005 0.000 0.291 597 T C -0.718 173.986 174.700 0.006 0.000 1.028 597 T CA -0.500 61.596 62.100 -0.006 0.000 0.995 597 T CB 1.540 70.394 68.868 -0.024 0.000 1.051 597 T HN 0.461 nan 8.240 nan 0.000 0.470 598 L N 2.350 123.577 121.223 0.007 0.000 2.362 598 L HA 0.606 4.949 4.340 0.005 0.000 0.275 598 L C -0.286 176.575 176.870 -0.015 0.000 0.998 598 L CA -0.727 54.124 54.840 0.017 0.000 0.820 598 L CB 1.850 43.936 42.059 0.045 0.000 1.270 598 L HN 0.665 nan 8.230 nan 0.000 0.415 599 E N 2.625 122.799 120.200 -0.043 0.000 2.292 599 E HA 0.456 4.809 4.350 0.005 0.000 0.272 599 E C -1.434 175.110 176.600 -0.093 0.000 0.881 599 E CA -0.830 55.534 56.400 -0.060 0.000 0.754 599 E CB 3.164 32.829 29.700 -0.059 0.000 1.201 599 E HN 0.142 nan 8.360 nan 0.000 0.425 600 V N 3.383 123.251 119.914 -0.076 0.000 2.439 600 V HA 0.086 4.209 4.120 0.005 0.000 0.282 600 V C 0.372 176.420 176.094 -0.078 0.000 1.039 600 V CA -0.566 61.681 62.300 -0.088 0.000 0.913 600 V CB 1.120 32.907 31.823 -0.060 0.000 0.983 600 V HN 0.652 nan 8.190 nan 0.000 0.460 601 L N 5.191 126.360 121.223 -0.090 0.000 2.653 601 L HA 0.344 4.687 4.340 0.005 0.000 0.232 601 L C 0.632 177.470 176.870 -0.054 0.000 1.169 601 L CA 0.498 55.295 54.840 -0.071 0.000 0.951 601 L CB -2.152 39.859 42.059 -0.079 0.000 1.181 601 L HN 1.028 nan 8.230 nan 0.000 0.460 602 N N -2.545 116.125 118.700 -0.049 0.000 3.355 602 N HA 0.072 4.815 4.740 0.005 0.000 0.238 602 N C -0.854 174.638 175.510 -0.031 0.000 1.466 602 N CA -0.855 52.173 53.050 -0.037 0.000 0.882 602 N CB 1.276 39.742 38.487 -0.034 0.000 1.406 602 N HN -0.029 nan 8.380 nan 0.000 0.500 603 E N 0.110 120.297 120.200 -0.023 0.000 2.415 603 E HA 0.273 4.626 4.350 0.005 0.000 0.263 603 E C -0.626 175.964 176.600 -0.016 0.000 0.995 603 E CA -0.343 56.047 56.400 -0.017 0.000 0.915 603 E CB 0.610 30.302 29.700 -0.013 0.000 0.951 603 E HN 0.541 nan 8.360 nan 0.000 0.449 604 A N 5.948 128.760 122.820 -0.013 0.000 2.269 604 A HA 0.374 4.697 4.320 0.005 0.000 0.302 604 A C -0.444 177.138 177.584 -0.003 0.000 1.266 604 A CA -0.401 51.631 52.037 -0.009 0.000 0.894 604 A CB 0.431 19.426 19.000 -0.007 0.000 1.147 604 A HN 0.654 nan 8.150 nan 0.000 0.537 605 R N 1.809 122.308 120.500 -0.002 0.000 2.621 605 R HA 0.452 4.794 4.340 0.005 0.000 0.292 605 R C -0.638 175.665 176.300 0.005 0.000 0.969 605 R CA -0.875 55.225 56.100 0.001 0.000 0.887 605 R CB 2.280 32.580 30.300 0.000 0.000 1.180 605 R HN 0.531 nan 8.270 nan 0.000 0.450 606 V N 3.931 123.849 119.914 0.006 0.000 2.644 606 V HA -0.102 4.021 4.120 0.005 0.000 0.305 606 V C 0.846 176.946 176.094 0.010 0.000 1.053 606 V CA 1.039 63.345 62.300 0.009 0.000 1.186 606 V CB -0.234 31.594 31.823 0.008 0.000 0.895 606 V HN 0.870 nan 8.190 nan 0.000 0.490 607 R N 1.637 122.145 120.500 0.013 0.000 3.994 607 R HA -0.130 4.213 4.340 0.005 0.000 0.403 607 R C -0.273 176.034 176.300 0.012 0.000 1.126 607 R CA 1.244 57.352 56.100 0.014 0.000 1.143 607 R CB -0.879 29.429 30.300 0.013 0.000 1.695 607 R HN 0.675 nan 8.270 nan 0.000 0.555 608 K N 0.766 121.172 120.400 0.010 0.000 2.244 608 K HA 0.382 4.705 4.320 0.005 0.000 0.260 608 K C -2.530 174.074 176.600 0.006 0.000 0.951 608 K CA -2.404 53.887 56.287 0.007 0.000 0.826 608 K CB 1.486 33.988 32.500 0.003 0.000 1.108 608 K HN -0.208 nan 8.250 nan 0.000 0.433 609 P HA -0.000 nan 4.420 nan 0.000 0.262 609 P C -0.694 176.602 177.300 -0.007 0.000 1.182 609 P CA -0.054 63.049 63.100 0.005 0.000 0.761 609 P CB 0.470 32.173 31.700 0.005 0.000 0.795 610 V N 4.392 124.299 119.914 -0.011 0.000 2.487 610 V HA 0.269 4.391 4.120 0.005 0.000 0.298 610 V C 0.057 176.109 176.094 -0.070 0.000 1.028 610 V CA -0.811 61.469 62.300 -0.033 0.000 0.860 610 V CB 1.680 33.487 31.823 -0.026 0.000 0.991 610 V HN 0.453 nan 8.190 nan 0.000 0.427 611 N N 3.453 122.097 118.700 -0.092 0.000 2.458 611 N HA 0.492 5.235 4.740 0.005 0.000 0.270 611 N C -0.569 174.803 175.510 -0.231 0.000 1.102 611 N CA -0.057 52.904 53.050 -0.148 0.000 0.967 611 N CB 2.213 40.636 38.487 -0.107 0.000 1.078 611 N HN 0.437 nan 8.380 nan 0.000 0.471 612 V N 1.325 120.979 119.914 -0.432 0.000 3.074 612 V HA 0.465 4.588 4.120 0.005 0.000 0.314 612 V C -0.223 175.505 176.094 -0.611 0.000 1.117 612 V CA -0.869 61.094 62.300 -0.562 0.000 1.014 612 V CB 2.381 33.704 31.823 -0.833 0.000 1.057 612 V HN 0.554 nan 8.190 nan 0.000 0.438 613 Q N 1.932 121.508 119.800 -0.373 0.000 2.305 613 Q HA 0.557 4.900 4.340 0.005 0.000 0.271 613 Q C -1.383 174.589 176.000 -0.048 0.000 1.046 613 Q CA -0.496 55.192 55.803 -0.193 0.000 0.798 613 Q CB 2.412 31.079 28.738 -0.118 0.000 1.286 613 Q HN 0.798 nan 8.270 nan 0.000 0.435 614 M N 5.200 124.840 119.600 0.066 0.000 2.268 614 M HA 0.513 4.996 4.480 0.005 0.000 0.344 614 M C -1.972 174.344 176.300 0.027 0.000 1.106 614 M CA -0.540 54.822 55.300 0.102 0.000 1.010 614 M CB 0.679 33.396 32.600 0.195 0.000 1.649 614 M HN 0.648 nan 8.290 nan 0.000 0.443 615 L N 5.713 126.934 121.223 -0.004 0.000 2.385 615 L HA 0.673 5.016 4.340 0.005 0.000 0.273 615 L C -1.420 175.438 176.870 -0.021 0.000 0.990 615 L CA -0.683 54.140 54.840 -0.029 0.000 0.821 615 L CB 2.199 44.231 42.059 -0.045 0.000 1.279 615 L HN 0.725 nan 8.230 nan 0.000 0.412 616 F N 1.266 121.068 119.950 -0.247 0.000 2.604 616 F HA 0.565 5.095 4.527 0.006 0.000 0.316 616 F C -1.030 174.626 175.800 -0.239 0.000 1.136 616 F CA -0.272 57.530 58.000 -0.330 0.000 0.989 616 F CB 2.181 40.790 39.000 -0.652 0.000 1.258 616 F HN 0.329 nan 8.300 nan 0.000 0.451 617 S N 3.923 118.897 115.700 -1.209 0.000 2.482 617 S HA 0.334 4.807 4.470 0.005 0.000 0.303 617 S C -1.065 172.837 174.600 -1.163 0.000 1.091 617 S CA -0.716 56.971 58.200 -0.854 0.000 1.057 617 S CB 1.318 64.230 63.200 -0.480 0.000 1.031 617 S HN 0.626 nan 8.310 nan 0.000 0.485 618 N N 3.764 122.130 118.700 -0.558 0.000 2.406 618 N HA 0.270 5.013 4.740 0.005 0.000 0.251 618 N C -1.464 173.968 175.510 -0.129 0.000 1.069 618 N CA -2.060 50.861 53.050 -0.215 0.000 0.947 618 N CB 1.039 39.582 38.487 0.092 0.000 1.111 618 N HN 0.237 nan 8.380 nan 0.000 0.497 619 P HA -0.005 nan 4.420 nan 0.000 0.235 619 P C 0.293 177.591 177.300 -0.004 0.000 1.177 619 P CA 0.461 63.527 63.100 -0.057 0.000 0.785 619 P CB 0.573 32.236 31.700 -0.062 0.000 0.885 620 L N 0.470 121.738 121.223 0.076 0.000 2.476 620 L HA 0.141 4.484 4.340 0.005 0.000 0.255 620 L C 1.462 178.341 176.870 0.015 0.000 1.218 620 L CA 0.032 54.880 54.840 0.013 0.000 0.819 620 L CB 0.001 42.098 42.059 0.062 0.000 1.119 620 L HN -0.211 nan 8.230 nan 0.000 0.485 621 D N -0.270 120.133 120.400 0.005 0.000 2.339 621 D HA 0.027 4.670 4.640 0.005 0.000 0.217 621 D C 0.203 176.523 176.300 0.033 0.000 1.050 621 D CA 0.339 54.349 54.000 0.017 0.000 0.856 621 D CB 0.461 41.270 40.800 0.014 0.000 0.922 621 D HN 0.613 nan 8.370 nan 0.000 0.518 622 E N 0.956 121.185 120.200 0.049 0.000 2.263 622 E HA 0.492 4.845 4.350 0.005 0.000 0.264 622 E C -2.807 173.837 176.600 0.073 0.000 0.923 622 E CA -2.124 54.307 56.400 0.052 0.000 0.802 622 E CB 2.228 31.959 29.700 0.051 0.000 1.228 622 E HN -0.215 nan 8.360 nan 0.000 0.417 623 P HA 0.065 nan 4.420 nan 0.000 0.276 623 P C -0.307 177.061 177.300 0.113 0.000 1.252 623 P CA -0.514 62.640 63.100 0.091 0.000 0.802 623 P CB 1.044 32.785 31.700 0.068 0.000 1.035 624 V N -0.976 119.034 119.914 0.161 0.000 2.459 624 V HA 0.667 4.789 4.120 0.005 0.000 0.295 624 V C 0.025 176.196 176.094 0.128 0.000 1.029 624 V CA -0.841 61.565 62.300 0.177 0.000 0.874 624 V CB 1.386 33.411 31.823 0.335 0.000 0.985 624 V HN 0.470 nan 8.190 nan 0.000 0.438 625 R N 1.731 122.272 120.500 0.068 0.000 2.939 625 R HA 0.626 4.969 4.340 0.005 0.000 0.254 625 R C -0.726 175.568 176.300 -0.010 0.000 1.123 625 R CA -0.725 55.395 56.100 0.034 0.000 1.020 625 R CB 0.767 31.077 30.300 0.018 0.000 1.206 625 R HN 0.803 nan 8.270 nan 0.000 0.491 626 D N -0.199 120.186 120.400 -0.025 0.000 2.723 626 D HA -0.150 4.493 4.640 0.005 0.000 0.236 626 D C -0.762 175.461 176.300 -0.130 0.000 1.138 626 D CA 0.533 54.495 54.000 -0.064 0.000 0.676 626 D CB -1.652 39.109 40.800 -0.065 0.000 1.069 626 D HN 0.407 nan 8.370 nan 0.000 0.430 627 C N 0.556 119.784 119.300 -0.119 0.000 2.576 627 C HA 0.493 4.955 4.460 0.005 0.000 0.401 627 C C 1.027 175.869 174.990 -0.247 0.000 1.314 627 C CA -0.663 58.193 59.018 -0.270 0.000 1.855 627 C CB 0.724 28.448 27.740 -0.026 0.000 2.537 627 C HN 0.182 nan 8.230 nan 0.000 0.578 628 V N 5.186 124.848 119.914 -0.420 0.000 2.686 628 V HA 0.469 4.592 4.120 0.005 0.000 0.306 628 V C -0.412 175.538 176.094 -0.240 0.000 1.065 628 V CA -0.461 61.690 62.300 -0.249 0.000 0.894 628 V CB 1.872 33.569 31.823 -0.210 0.000 1.004 628 V HN 0.789 nan 8.190 nan 0.000 0.424 629 L N 5.600 126.777 121.223 -0.077 0.000 2.322 629 L HA 0.657 5.000 4.340 0.005 0.000 0.281 629 L C -1.080 175.730 176.870 -0.099 0.000 1.014 629 L CA -0.478 54.357 54.840 -0.008 0.000 0.815 629 L CB 1.573 43.667 42.059 0.058 0.000 1.247 629 L HN 0.557 nan 8.230 nan 0.000 0.421 630 M N 6.047 125.586 119.600 -0.101 0.000 2.085 630 M HA 0.410 4.893 4.480 0.005 0.000 0.309 630 M C -0.883 175.340 176.300 -0.127 0.000 0.947 630 M CA -0.505 54.719 55.300 -0.127 0.000 0.918 630 M CB 1.512 34.037 32.600 -0.124 0.000 1.504 630 M HN 0.178 nan 8.290 nan 0.000 0.420 631 V N 3.444 123.253 119.914 -0.177 0.000 2.628 631 V HA 0.741 4.864 4.120 0.005 0.000 0.306 631 V C -0.226 175.797 176.094 -0.118 0.000 1.045 631 V CA -0.550 61.652 62.300 -0.164 0.000 0.905 631 V CB 2.360 33.993 31.823 -0.317 0.000 0.997 631 V HN 0.921 nan 8.190 nan 0.000 0.436 632 E N 2.161 122.314 120.200 -0.077 0.000 2.429 632 E HA 0.774 5.127 4.350 0.005 0.000 0.280 632 E C -0.680 175.892 176.600 -0.046 0.000 1.068 632 E CA -0.976 55.387 56.400 -0.062 0.000 0.837 632 E CB 2.252 31.902 29.700 -0.085 0.000 1.357 632 E HN 1.096 nan 8.360 nan 0.000 0.455 633 G N 0.776 109.556 108.800 -0.032 0.000 1.843 633 G HA2 0.271 4.234 3.960 0.005 0.000 0.278 633 G HA3 0.271 4.234 3.960 0.005 0.000 0.278 633 G C -0.904 174.000 174.900 0.007 0.000 1.708 633 G CA -0.658 44.430 45.100 -0.020 0.000 0.918 633 G HN 0.403 nan 8.290 nan 0.000 0.661 634 S N 0.320 116.030 115.700 0.015 0.000 2.546 634 S HA 0.415 4.888 4.470 0.005 0.000 0.290 634 S C 1.683 176.319 174.600 0.059 0.000 1.290 634 S CA 1.737 59.969 58.200 0.054 0.000 1.069 634 S CB 1.011 64.266 63.200 0.092 0.000 0.846 634 S HN 2.373 nan 8.310 nan 0.000 0.495 635 G N 2.156 110.992 108.800 0.059 0.000 2.225 635 G HA2 -0.240 3.723 3.960 0.005 0.000 0.254 635 G HA3 -0.240 3.723 3.960 0.005 0.000 0.254 635 G C 0.537 175.459 174.900 0.038 0.000 0.988 635 G CA 0.447 45.575 45.100 0.047 0.000 0.625 635 G HN 0.593 nan 8.290 nan 0.000 0.527 636 L N -0.341 120.906 121.223 0.039 0.000 2.467 636 L HA 0.564 4.907 4.340 0.005 0.000 0.213 636 L C 1.045 177.944 176.870 0.049 0.000 1.053 636 L CA 0.933 55.798 54.840 0.042 0.000 0.847 636 L CB 0.233 42.319 42.059 0.045 0.000 1.075 636 L HN 0.450 nan 8.230 nan 0.000 0.479 637 L N -2.849 118.399 121.223 0.043 0.000 2.582 637 L HA 0.488 4.831 4.340 0.005 0.000 0.257 637 L C -1.205 175.683 176.870 0.030 0.000 0.974 637 L CA -0.868 53.996 54.840 0.040 0.000 0.851 637 L CB 1.873 43.959 42.059 0.045 0.000 1.424 637 L HN -0.207 nan 8.230 nan 0.000 0.412 638 L N 3.144 124.384 121.223 0.029 0.000 2.315 638 L HA 0.656 4.999 4.340 0.005 0.000 0.283 638 L C 1.174 178.053 176.870 0.015 0.000 1.089 638 L CA 0.811 55.667 54.840 0.027 0.000 0.833 638 L CB 0.261 42.338 42.059 0.030 0.000 1.170 638 L HN 1.100 nan 8.230 nan 0.000 0.442 639 G N 3.916 112.724 108.800 0.013 0.000 2.562 639 G HA2 -0.332 3.631 3.960 0.005 0.000 0.250 639 G HA3 -0.332 3.631 3.960 0.005 0.000 0.250 639 G C -0.508 174.381 174.900 -0.018 0.000 1.269 639 G CA -0.074 45.027 45.100 0.001 0.000 0.919 639 G HN 0.748 nan 8.290 nan 0.000 0.574 640 N N -0.589 118.097 118.700 -0.024 0.000 2.399 640 N HA 0.611 5.354 4.740 0.005 0.000 0.295 640 N C -0.366 175.105 175.510 -0.065 0.000 1.048 640 N CA -0.700 52.322 53.050 -0.048 0.000 0.886 640 N CB 1.310 39.774 38.487 -0.038 0.000 1.185 640 N HN 0.737 nan 8.380 nan 0.000 0.487 641 L N 3.117 124.276 121.223 -0.106 0.000 2.272 641 L HA 0.445 4.788 4.340 0.005 0.000 0.289 641 L C -0.614 176.160 176.870 -0.161 0.000 1.032 641 L CA -0.675 54.081 54.840 -0.140 0.000 0.810 641 L CB 0.605 42.533 42.059 -0.219 0.000 1.205 641 L HN 0.609 nan 8.230 nan 0.000 0.422 642 K N 6.301 126.629 120.400 -0.121 0.000 2.307 642 K HA 0.583 4.905 4.320 0.005 0.000 0.263 642 K C -1.383 175.157 176.600 -0.100 0.000 0.973 642 K CA -0.533 55.686 56.287 -0.113 0.000 0.846 642 K CB 1.310 33.758 32.500 -0.087 0.000 1.100 642 K HN 0.606 nan 8.250 nan 0.000 0.438 643 I N 3.130 123.639 120.570 -0.101 0.000 2.465 643 I HA 0.194 4.367 4.170 0.005 0.000 0.291 643 I C -0.700 175.398 176.117 -0.032 0.000 1.014 643 I CA -0.914 60.351 61.300 -0.060 0.000 1.093 643 I CB 2.025 39.990 38.000 -0.058 0.000 1.267 643 I HN 0.513 nan 8.210 nan 0.000 0.431 644 D N 6.185 126.576 120.400 -0.015 0.000 2.396 644 D HA 0.183 4.826 4.640 0.005 0.000 0.225 644 D C -0.338 175.979 176.300 0.029 0.000 1.121 644 D CA 0.030 54.025 54.000 -0.008 0.000 0.853 644 D CB 2.128 42.920 40.800 -0.013 0.000 1.043 644 D HN 0.210 nan 8.370 nan 0.000 0.500 645 V N 3.177 123.128 119.914 0.060 0.000 2.567 645 V HA 0.445 4.568 4.120 0.005 0.000 0.289 645 V C -2.447 173.704 176.094 0.096 0.000 1.049 645 V CA -1.614 60.754 62.300 0.113 0.000 0.969 645 V CB 1.510 33.469 31.823 0.227 0.000 0.995 645 V HN 0.232 nan 8.190 nan 0.000 0.471 646 P HA 0.211 nan 4.420 nan 0.000 0.271 646 P C -0.244 177.115 177.300 0.098 0.000 1.244 646 P CA -0.075 63.070 63.100 0.074 0.000 0.793 646 P CB 0.110 31.848 31.700 0.063 0.000 0.984 647 T N 1.362 115.963 114.554 0.078 0.000 2.934 647 T HA 0.089 4.442 4.350 0.005 0.000 0.306 647 T C 0.032 174.799 174.700 0.112 0.000 1.042 647 T CA 0.456 62.611 62.100 0.091 0.000 1.145 647 T CB -0.212 68.694 68.868 0.063 0.000 0.982 647 T HN 0.152 nan 8.240 nan 0.000 0.544 648 L N 4.068 125.382 121.223 0.152 0.000 2.298 648 L HA 0.618 4.961 4.340 0.005 0.000 0.284 648 L C 0.663 177.608 176.870 0.124 0.000 1.013 648 L CA -0.093 54.839 54.840 0.153 0.000 0.824 648 L CB 0.747 42.949 42.059 0.239 0.000 1.221 648 L HN 0.735 nan 8.230 nan 0.000 0.418 649 G N 4.742 113.591 108.800 0.081 0.000 2.667 649 G HA2 0.318 4.281 3.960 0.005 0.000 0.250 649 G HA3 0.318 4.281 3.960 0.005 0.000 0.250 649 G C -2.603 172.331 174.900 0.056 0.000 1.212 649 G CA -1.112 44.025 45.100 0.061 0.000 0.874 649 G HN 0.547 nan 8.290 nan 0.000 0.561 650 P HA 0.099 nan 4.420 nan 0.000 0.261 650 P C -0.021 177.283 177.300 0.006 0.000 1.183 650 P CA 0.402 63.522 63.100 0.033 0.000 0.761 650 P CB 0.389 32.103 31.700 0.025 0.000 0.785 651 K N -0.316 120.077 120.400 -0.012 0.000 3.209 651 K HA -0.233 4.090 4.320 0.005 0.000 0.289 651 K C -0.022 176.543 176.600 -0.060 0.000 1.191 651 K CA 0.917 57.174 56.287 -0.049 0.000 0.851 651 K CB -1.356 31.120 32.500 -0.040 0.000 1.242 651 K HN 0.609 nan 8.250 nan 0.000 0.480 652 E N 0.602 120.775 120.200 -0.044 0.000 2.250 652 E HA 0.379 4.732 4.350 0.005 0.000 0.269 652 E C -0.236 176.318 176.600 -0.078 0.000 1.018 652 E CA -0.877 55.499 56.400 -0.041 0.000 0.873 652 E CB 1.503 31.202 29.700 -0.001 0.000 1.134 652 E HN 0.127 nan 8.360 nan 0.000 0.403 653 R N 0.691 121.149 120.500 -0.071 0.000 2.589 653 R HA 0.334 4.677 4.340 0.005 0.000 0.293 653 R C -1.036 175.245 176.300 -0.032 0.000 0.963 653 R CA -0.355 55.688 56.100 -0.095 0.000 0.905 653 R CB 1.702 31.938 30.300 -0.106 0.000 1.144 653 R HN 0.419 nan 8.270 nan 0.000 0.459 654 S N 2.729 118.420 115.700 -0.015 0.000 2.451 654 S HA 0.399 4.872 4.470 0.005 0.000 0.301 654 S C -0.844 173.760 174.600 0.008 0.000 1.116 654 S CA -0.800 57.418 58.200 0.031 0.000 1.093 654 S CB 0.815 64.066 63.200 0.084 0.000 1.017 654 S HN 0.663 nan 8.310 nan 0.000 0.482 655 R N 4.384 124.896 120.500 0.020 0.000 2.422 655 R HA 0.591 4.933 4.340 0.005 0.000 0.307 655 R C -1.836 174.492 176.300 0.046 0.000 1.004 655 R CA -0.466 55.643 56.100 0.016 0.000 0.882 655 R CB 1.062 31.362 30.300 -0.001 0.000 1.164 655 R HN 0.529 nan 8.270 nan 0.000 0.489 656 V N 5.199 125.158 119.914 0.076 0.000 2.435 656 V HA 0.524 4.646 4.120 0.005 0.000 0.290 656 V C 0.193 176.379 176.094 0.154 0.000 1.030 656 V CA -0.753 61.627 62.300 0.133 0.000 0.881 656 V CB 1.618 33.551 31.823 0.184 0.000 0.983 656 V HN 0.688 nan 8.190 nan 0.000 0.445 657 R N 3.935 124.516 120.500 0.134 0.000 2.668 657 R HA 0.817 5.160 4.340 0.005 0.000 0.279 657 R C -1.143 175.282 176.300 0.207 0.000 0.976 657 R CA -0.413 55.719 56.100 0.054 0.000 0.978 657 R CB 2.218 32.523 30.300 0.008 0.000 1.133 657 R HN 0.752 nan 8.270 nan 0.000 0.484 658 F N -1.762 118.191 119.950 0.004 0.000 2.740 658 F HA 0.317 4.846 4.527 0.005 0.000 0.312 658 F C -1.880 173.921 175.800 0.002 0.000 1.121 658 F CA -1.365 56.637 58.000 0.004 0.000 0.977 658 F CB 0.913 39.917 39.000 0.006 0.000 1.265 658 F HN 0.237 nan 8.300 nan 0.000 0.443 659 D N 3.380 123.871 120.400 0.151 0.000 2.198 659 D HA 0.686 5.329 4.640 0.005 0.000 0.247 659 D C -0.158 176.244 176.300 0.170 0.000 1.010 659 D CA -0.170 53.863 54.000 0.054 0.000 0.880 659 D CB 2.364 43.183 40.800 0.032 0.000 1.209 659 D HN 0.847 nan 8.370 nan 0.000 0.451 660 I N -1.912 118.720 120.570 0.102 0.000 2.693 660 I HA 0.601 4.773 4.170 0.005 0.000 0.303 660 I C -1.214 174.941 176.117 0.062 0.000 1.025 660 I CA -1.188 60.185 61.300 0.122 0.000 1.086 660 I CB 1.975 40.057 38.000 0.137 0.000 1.268 660 I HN 0.050 nan 8.210 nan 0.000 0.440 661 L N 6.151 127.408 121.223 0.057 0.000 2.384 661 L HA 0.639 4.982 4.340 0.005 0.000 0.261 661 L C -2.528 174.363 176.870 0.034 0.000 1.024 661 L CA -1.898 52.965 54.840 0.038 0.000 0.899 661 L CB 0.642 42.722 42.059 0.036 0.000 1.243 661 L HN 0.427 nan 8.230 nan 0.000 0.449 662 P HA 0.107 nan 4.420 nan 0.000 0.264 662 P C 0.015 177.328 177.300 0.023 0.000 1.183 662 P CA 0.397 63.512 63.100 0.025 0.000 0.763 662 P CB 0.708 32.419 31.700 0.018 0.000 0.807 663 S N 2.325 118.039 115.700 0.024 0.000 2.604 663 S HA 0.200 4.673 4.470 0.005 0.000 0.235 663 S C 0.546 175.154 174.600 0.014 0.000 1.043 663 S CA -0.286 57.927 58.200 0.021 0.000 0.997 663 S CB 0.454 63.670 63.200 0.028 0.000 0.956 663 S HN 0.379 nan 8.310 nan 0.000 0.535 664 R N 2.096 122.604 120.500 0.013 0.000 2.564 664 R HA 0.471 4.813 4.340 0.005 0.000 0.284 664 R C -0.880 175.423 176.300 0.006 0.000 1.031 664 R CA -0.100 56.002 56.100 0.003 0.000 0.904 664 R CB 1.960 32.257 30.300 -0.005 0.000 1.199 664 R HN 0.386 nan 8.270 nan 0.000 0.443 665 S N 1.762 117.464 115.700 0.002 0.000 2.614 665 S HA 0.833 5.306 4.470 0.005 0.000 0.265 665 S C 0.584 175.187 174.600 0.006 0.000 1.303 665 S CA 0.347 58.550 58.200 0.005 0.000 1.000 665 S CB 1.646 64.849 63.200 0.004 0.000 0.935 665 S HN 1.069 nan 8.310 nan 0.000 0.551 666 G N 0.146 108.951 108.800 0.009 0.000 2.318 666 G HA2 0.091 4.054 3.960 0.005 0.000 0.367 666 G HA3 0.091 4.054 3.960 0.005 0.000 0.367 666 G C -0.702 174.206 174.900 0.013 0.000 1.260 666 G CA -0.490 44.617 45.100 0.012 0.000 1.055 666 G HN 0.996 nan 8.290 nan 0.000 0.484 667 T N 2.758 117.322 114.554 0.016 0.000 2.727 667 T HA 0.565 4.918 4.350 0.005 0.000 0.298 667 T C 0.064 174.778 174.700 0.022 0.000 0.942 667 T CA -0.222 61.888 62.100 0.016 0.000 0.997 667 T CB 0.852 69.729 68.868 0.014 0.000 0.917 667 T HN 0.533 nan 8.240 nan 0.000 0.487 668 K N 2.716 123.127 120.400 0.019 0.000 2.221 668 K HA 0.443 4.766 4.320 0.005 0.000 0.243 668 K C -0.295 176.313 176.600 0.013 0.000 0.968 668 K CA -0.879 55.422 56.287 0.022 0.000 0.846 668 K CB 1.828 34.342 32.500 0.024 0.000 1.141 668 K HN 0.540 nan 8.250 nan 0.000 0.434 669 Q N 1.795 121.601 119.800 0.010 0.000 2.341 669 Q HA 0.348 4.691 4.340 0.005 0.000 0.268 669 Q C -1.442 174.553 176.000 -0.008 0.000 1.013 669 Q CA -0.865 54.934 55.803 -0.006 0.000 0.798 669 Q CB 1.215 29.941 28.738 -0.020 0.000 1.253 669 Q HN 0.417 nan 8.270 nan 0.000 0.457 670 L N 5.479 126.703 121.223 0.001 0.000 2.275 670 L HA 0.532 4.875 4.340 0.005 0.000 0.288 670 L C -1.663 175.207 176.870 -0.000 0.000 1.046 670 L CA -0.116 54.733 54.840 0.015 0.000 0.805 670 L CB 1.027 43.114 42.059 0.047 0.000 1.193 670 L HN 0.681 nan 8.230 nan 0.000 0.426 671 L N 5.040 126.254 121.223 -0.016 0.000 2.354 671 L HA 0.948 5.291 4.340 0.005 0.000 0.269 671 L C -0.534 176.320 176.870 -0.026 0.000 1.005 671 L CA -0.766 54.054 54.840 -0.033 0.000 0.819 671 L CB 1.884 43.896 42.059 -0.078 0.000 1.311 671 L HN 0.768 nan 8.230 nan 0.000 0.423 672 A N 1.302 124.112 122.820 -0.016 0.000 2.515 672 A HA 0.661 4.984 4.320 0.005 0.000 0.298 672 A C -1.877 175.704 177.584 -0.005 0.000 1.059 672 A CA -0.467 51.563 52.037 -0.012 0.000 0.698 672 A CB 2.081 21.098 19.000 0.028 0.000 1.289 672 A HN 0.733 nan 8.150 nan 0.000 0.404 673 D N 0.152 120.545 120.400 -0.012 0.000 2.629 673 D HA 0.581 5.224 4.640 0.005 0.000 0.250 673 D C -1.613 174.700 176.300 0.021 0.000 1.126 673 D CA -0.075 53.920 54.000 -0.009 0.000 0.852 673 D CB 0.980 41.745 40.800 -0.059 0.000 1.335 673 D HN 0.334 nan 8.370 nan 0.000 0.518 674 F N 3.176 123.047 119.950 -0.132 0.000 2.427 674 F HA 0.587 5.116 4.527 0.003 0.000 0.348 674 F C -1.077 174.623 175.800 -0.166 0.000 1.125 674 F CA -0.395 57.497 58.000 -0.180 0.000 0.989 674 F CB 1.443 40.270 39.000 -0.288 0.000 1.165 674 F HN 0.215 nan 8.300 nan 0.000 0.442 675 S N 5.041 120.311 115.700 -0.716 0.000 2.513 675 S HA 0.788 5.261 4.470 0.005 0.000 0.299 675 S C -1.013 173.196 174.600 -0.651 0.000 1.087 675 S CA -0.564 57.336 58.200 -0.501 0.000 1.012 675 S CB 1.152 64.183 63.200 -0.282 0.000 1.044 675 S HN 0.893 nan 8.310 nan 0.000 0.485 676 C N 1.885 120.971 119.300 -0.357 0.000 3.332 676 C HA 0.580 5.043 4.460 0.005 0.000 0.329 676 C C 1.506 176.449 174.990 -0.078 0.000 1.434 676 C CA -0.930 57.953 59.018 -0.224 0.000 1.314 676 C CB 0.675 28.330 27.740 -0.143 0.000 1.664 676 C HN 0.871 nan 8.230 nan 0.000 0.457 677 N N 1.483 120.154 118.700 -0.049 0.000 2.094 677 N HA -0.212 4.531 4.740 0.005 0.000 0.191 677 N C 0.964 176.434 175.510 -0.067 0.000 1.023 677 N CA 1.989 55.011 53.050 -0.047 0.000 0.857 677 N CB -0.407 38.058 38.487 -0.037 0.000 1.013 677 N HN 0.747 nan 8.380 nan 0.000 0.426 678 K N -0.614 119.732 120.400 -0.089 0.000 2.314 678 K HA 0.255 4.578 4.320 0.005 0.000 0.198 678 K C -0.374 175.937 176.600 -0.481 0.000 1.045 678 K CA 0.283 56.393 56.287 -0.295 0.000 0.988 678 K CB 0.105 32.366 32.500 -0.398 0.000 0.783 678 K HN 0.221 nan 8.250 nan 0.000 0.484 679 F N 1.881 121.876 119.950 0.076 0.000 2.676 679 F HA 0.303 4.832 4.527 0.003 0.000 0.371 679 F C -2.344 173.458 175.800 0.003 0.000 1.141 679 F CA -2.450 55.597 58.000 0.078 0.000 1.133 679 F CB 1.624 40.696 39.000 0.120 0.000 1.376 679 F HN -0.181 nan 8.300 nan 0.000 0.491 680 P HA 0.267 nan 4.420 nan 0.000 0.285 680 P C -0.001 177.352 177.300 0.088 0.000 1.259 680 P CA 0.090 63.234 63.100 0.074 0.000 0.794 680 P CB 1.794 33.542 31.700 0.080 0.000 0.940 681 A N 3.292 126.124 122.820 0.020 0.000 2.667 681 A HA -0.176 4.147 4.320 0.005 0.000 0.298 681 A C 0.243 177.860 177.584 0.055 0.000 1.483 681 A CA 0.216 52.269 52.037 0.026 0.000 0.738 681 A CB -2.596 16.436 19.000 0.053 0.000 1.067 681 A HN 0.492 nan 8.150 nan 0.000 0.451 682 I N 1.007 121.612 120.570 0.058 0.000 2.474 682 I HA 0.254 4.427 4.170 0.005 0.000 0.287 682 I C 0.654 176.796 176.117 0.041 0.000 1.048 682 I CA -0.144 61.191 61.300 0.058 0.000 1.383 682 I CB 0.861 38.882 38.000 0.034 0.000 1.412 682 I HN 0.287 nan 8.210 nan 0.000 0.531 683 K N 5.122 125.535 120.400 0.023 0.000 2.221 683 K HA 0.894 5.217 4.320 0.005 0.000 0.243 683 K C -0.907 175.694 176.600 0.002 0.000 0.968 683 K CA -0.786 55.506 56.287 0.009 0.000 0.846 683 K CB 2.300 34.794 32.500 -0.009 0.000 1.141 683 K HN 0.666 nan 8.250 nan 0.000 0.434 684 A N 1.437 124.257 122.820 -0.001 0.000 2.572 684 A HA 0.818 5.141 4.320 0.005 0.000 0.295 684 A C -1.381 176.198 177.584 -0.010 0.000 1.072 684 A CA -0.784 51.252 52.037 -0.002 0.000 0.691 684 A CB 1.900 20.909 19.000 0.014 0.000 1.291 684 A HN 0.784 nan 8.150 nan 0.000 0.404 685 M N 1.704 121.296 119.600 -0.014 0.000 2.413 685 M HA 0.758 5.241 4.480 0.005 0.000 0.287 685 M C -2.628 173.664 176.300 -0.013 0.000 1.186 685 M CA -0.784 54.504 55.300 -0.020 0.000 0.927 685 M CB 1.957 34.533 32.600 -0.039 0.000 1.715 685 M HN 0.940 nan 8.290 nan 0.000 0.478 686 L N 3.142 124.360 121.223 -0.007 0.000 2.476 686 L HA 0.592 4.935 4.340 0.005 0.000 0.269 686 L C -1.353 175.514 176.870 -0.006 0.000 0.965 686 L CA 0.136 54.972 54.840 -0.006 0.000 0.845 686 L CB 2.350 44.410 42.059 0.003 0.000 1.259 686 L HN 0.804 nan 8.230 nan 0.000 0.403 687 S N 5.472 121.166 115.700 -0.009 0.000 2.523 687 S HA 0.739 5.212 4.470 0.005 0.000 0.275 687 S C -0.415 174.183 174.600 -0.004 0.000 1.281 687 S CA -0.350 57.846 58.200 -0.006 0.000 1.050 687 S CB 0.049 63.245 63.200 -0.008 0.000 0.937 687 S HN 0.511 nan 8.310 nan 0.000 0.492 688 I N 3.895 124.465 120.570 0.000 0.000 2.478 688 I HA 0.305 4.478 4.170 0.005 0.000 0.287 688 I C -0.971 175.148 176.117 0.003 0.000 1.042 688 I CA -0.796 60.504 61.300 -0.000 0.000 1.067 688 I CB 2.087 40.089 38.000 0.003 0.000 1.233 688 I HN 0.481 nan 8.210 nan 0.000 0.431 689 D N 6.757 127.157 120.400 0.000 0.000 2.380 689 D HA 0.204 4.847 4.640 0.005 0.000 0.230 689 D C -0.195 176.106 176.300 0.002 0.000 1.154 689 D CA -0.100 53.902 54.000 0.002 0.000 0.859 689 D CB 2.022 42.822 40.800 0.001 0.000 1.045 689 D HN 0.055 nan 8.370 nan 0.000 0.495 690 V N 2.245 122.162 119.914 0.005 0.000 2.432 690 V HA 0.402 4.525 4.120 0.005 0.000 0.271 690 V C 0.798 176.895 176.094 0.005 0.000 1.046 690 V CA -0.571 61.733 62.300 0.005 0.000 0.945 690 V CB 1.014 32.843 31.823 0.009 0.000 0.992 690 V HN 0.580 nan 8.190 nan 0.000 0.471 691 A N 4.216 127.038 122.820 0.003 0.000 2.264 691 A HA 0.679 5.002 4.320 0.005 0.000 0.304 691 A C 0.090 177.676 177.584 0.004 0.000 1.100 691 A CA -0.443 51.596 52.037 0.003 0.000 0.839 691 A CB 0.752 19.752 19.000 0.001 0.000 1.121 691 A HN 0.801 nan 8.150 nan 0.000 0.496 692 E N 0.000 120.202 120.200 0.004 0.000 2.725 692 E HA 0.000 4.353 4.350 0.005 0.000 0.291 692 E CA 0.000 56.403 56.400 0.005 0.000 0.976 692 E CB 0.000 29.703 29.700 0.005 0.000 0.812 692 E HN 0.000 nan 8.360 nan 0.000 0.440