REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1nud_1_B DATA FIRST_RESID 1 DATA SEQUENCE AALGVQSINW QTAFNRQAHH TDKFSSQELI LRRGQNFQVL MIMNKGLGSN DATA SEQUENCE ERLEFIVSTG PYPSESAMTK AVFPLSNGSS GGWSAVLQAS NGNTLTISIS DATA SEQUENCE SPASAPIGRY TMALQIFSQG GISSVKLGTF ILLFNPWLNV DSVFMGNHAE DATA SEQUENCE REEYVQEDAG IIFVGSTNRI GMIGWNFGQF EEDILSICLS ILDRSLNFRR DATA SEQUENCE DAATDVASRN DPKYVGRVLS AMINSNDDNG VLAGNWSGTY TGGRDPRSWD DATA SEQUENCE GSVEILKNWK KSGLSPVRYG QCWVFAGTLN TALRSLGIPS RVITNFNSAH DATA SEQUENCE DTDRNLSVDV YYDPMGNPLD KGSDSVWNFH VWNEGWFVRS DLGPSYGGWQ DATA SEQUENCE VLDATPQERS QGVFQCGPAS VIGVREGDVQ LNFDMPFIFA EVNADRITWL DATA SEQUENCE YDNTTGKQWK NSVNSHTIGR YISTKAVGSN ARMDVTDKYK YPEGSDQERQ DATA SEQUENCE VFQKALGKLK XXXXXXXXXX XXXXXXXXXP SIIGKLKVAG MLAVGKEVNL DATA SEQUENCE VLLLKNLSRD TKTVTVNMTA WTIIYNGTLV HEVWKDSATM SLDPEEEAEH DATA SEQUENCE PIKISYAQYE RYLKSDNMIR ITAVCKVPDE SEVVVERDII LDNPTLTLEV DATA SEQUENCE LNEARVRKPV NVQMLFSNPL DEPVRDCVLM VEGSGLLLGN LKIDVPTLGP DATA SEQUENCE KERSRVRFDI LPSRSGTKQL LADFSCNKFP AIKAMLSIDV AE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.575 177.584 -0.015 0.000 1.274 1 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 1 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 2 A N -0.137 122.672 122.820 -0.019 0.000 2.366 2 A HA 0.550 4.870 4.320 -0.000 0.000 0.249 2 A C 0.364 177.933 177.584 -0.025 0.000 1.084 2 A CA 0.250 52.275 52.037 -0.020 0.000 0.794 2 A CB -0.290 18.693 19.000 -0.027 0.000 1.034 2 A HN 1.938 nan 8.150 nan 0.000 0.491 3 L N 0.667 121.876 121.223 -0.023 0.000 2.516 3 L HA 0.425 4.765 4.340 -0.000 0.000 0.288 3 L C 0.575 177.420 176.870 -0.042 0.000 1.246 3 L CA 1.809 56.632 54.840 -0.029 0.000 0.844 3 L CB 0.282 42.326 42.059 -0.025 0.000 1.106 3 L HN 1.007 nan 8.230 nan 0.000 0.509 4 G N 3.008 111.781 108.800 -0.044 0.000 2.702 4 G HA2 0.484 4.444 3.960 -0.000 0.000 0.296 4 G HA3 0.484 4.444 3.960 -0.000 0.000 0.296 4 G C -1.841 173.028 174.900 -0.052 0.000 1.463 4 G CA -0.661 44.408 45.100 -0.052 0.000 0.890 4 G HN 0.545 nan 8.290 nan 0.000 0.534 5 V N 1.833 121.711 119.914 -0.060 0.000 2.455 5 V HA 0.178 4.298 4.120 -0.000 0.000 0.273 5 V C 1.099 177.167 176.094 -0.043 0.000 1.045 5 V CA 0.273 62.538 62.300 -0.059 0.000 0.976 5 V CB 1.243 33.024 31.823 -0.069 0.000 0.993 5 V HN 0.917 nan 8.190 nan 0.000 0.475 6 Q N 2.485 122.262 119.800 -0.039 0.000 2.200 6 Q HA 0.122 4.462 4.340 -0.000 0.000 0.197 6 Q C 0.660 176.645 176.000 -0.025 0.000 0.953 6 Q CA 0.971 56.757 55.803 -0.028 0.000 0.851 6 Q CB 0.736 29.458 28.738 -0.025 0.000 0.938 6 Q HN 0.920 nan 8.270 nan 0.000 0.488 7 S N -0.883 114.794 115.700 -0.038 0.000 2.625 7 S HA 0.643 5.113 4.470 -0.000 0.000 0.271 7 S C -1.236 173.312 174.600 -0.086 0.000 1.161 7 S CA -0.969 57.206 58.200 -0.041 0.000 0.820 7 S CB 1.905 65.089 63.200 -0.027 0.000 1.137 7 S HN 0.210 nan 8.310 nan 0.000 0.470 8 I N 1.107 121.603 120.570 -0.123 0.000 2.610 8 I HA 0.566 4.736 4.170 -0.000 0.000 0.289 8 I C -1.750 174.168 176.117 -0.333 0.000 1.163 8 I CA -0.394 60.744 61.300 -0.271 0.000 1.044 8 I CB 2.062 39.811 38.000 -0.419 0.000 1.251 8 I HN 0.772 nan 8.210 nan 0.000 0.424 9 N N 6.512 125.039 118.700 -0.288 0.000 2.485 9 N HA 0.210 4.950 4.740 -0.000 0.000 0.243 9 N C -0.247 175.152 175.510 -0.186 0.000 0.987 9 N CA -0.368 52.583 53.050 -0.164 0.000 0.940 9 N CB 0.590 39.037 38.487 -0.067 0.000 1.122 9 N HN 0.783 nan 8.380 nan 0.000 0.509 10 W N 2.001 123.353 121.300 0.086 0.000 2.825 10 W HA 0.084 4.744 4.660 0.000 0.000 0.243 10 W C 0.890 177.478 176.519 0.115 0.000 1.293 10 W CA -0.197 57.213 57.345 0.109 0.000 1.403 10 W CB -0.093 29.422 29.460 0.092 0.000 1.134 10 W HN 0.513 nan 8.180 nan 0.000 0.666 11 Q N -0.178 119.771 119.800 0.249 0.000 2.435 11 Q HA -0.204 4.136 4.340 -0.000 0.000 0.286 11 Q C -0.190 175.967 176.000 0.261 0.000 1.229 11 Q CA 0.845 56.777 55.803 0.215 0.000 0.884 11 Q CB -2.371 26.474 28.738 0.178 0.000 1.245 11 Q HN 0.104 nan 8.270 nan 0.000 0.488 12 T N -0.503 114.194 114.554 0.239 0.000 2.765 12 T HA 0.285 4.635 4.350 -0.000 0.000 0.284 12 T C 0.984 175.764 174.700 0.132 0.000 0.946 12 T CA 0.567 62.763 62.100 0.160 0.000 1.185 12 T CB 0.974 69.918 68.868 0.127 0.000 0.887 12 T HN 0.651 nan 8.240 nan 0.000 0.532 13 A N 3.887 126.773 122.820 0.111 0.000 3.570 13 A HA -0.098 4.222 4.320 -0.000 0.000 0.195 13 A C 1.038 178.680 177.584 0.096 0.000 1.297 13 A CA 0.381 52.474 52.037 0.094 0.000 1.173 13 A CB -1.747 17.321 19.000 0.114 0.000 0.812 13 A HN 0.673 nan 8.150 nan 0.000 0.391 14 F N 2.627 122.600 119.950 0.038 0.000 2.075 14 F HA -0.085 4.442 4.527 0.000 0.000 0.297 14 F C 1.988 177.814 175.800 0.044 0.000 1.113 14 F CA 2.691 60.712 58.000 0.035 0.000 1.218 14 F CB -0.236 38.791 39.000 0.044 0.000 0.984 14 F HN 0.351 nan 8.300 nan 0.000 0.472 15 N N 0.795 119.521 118.700 0.044 0.000 2.166 15 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 15 N C 1.952 177.396 175.510 -0.111 0.000 1.019 15 N CA 1.350 54.372 53.050 -0.048 0.000 0.856 15 N CB -0.449 38.104 38.487 0.109 0.000 0.993 15 N HN 0.426 nan 8.380 nan 0.000 0.426 16 R N 0.811 121.261 120.500 -0.084 0.000 2.096 16 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 16 R C 2.168 178.398 176.300 -0.117 0.000 1.127 16 R CA 0.829 56.883 56.100 -0.076 0.000 0.968 16 R CB -0.178 30.110 30.300 -0.019 0.000 0.861 16 R HN 0.301 nan 8.270 nan 0.000 0.440 17 Q N 0.889 120.591 119.800 -0.165 0.000 2.123 17 Q HA -0.064 4.276 4.340 -0.000 0.000 0.199 17 Q C 1.825 177.574 176.000 -0.419 0.000 0.966 17 Q CA 1.740 57.409 55.803 -0.223 0.000 0.845 17 Q CB 0.032 28.673 28.738 -0.161 0.000 0.907 17 Q HN 0.307 nan 8.270 nan 0.000 0.439 18 A N 0.080 122.615 122.820 -0.475 0.000 2.015 18 A HA -0.125 4.194 4.320 -0.000 0.000 0.219 18 A C 1.529 178.682 177.584 -0.719 0.000 1.163 18 A CA 0.984 52.676 52.037 -0.575 0.000 0.646 18 A CB -0.603 18.057 19.000 -0.566 0.000 0.806 18 A HN 0.489 nan 8.150 nan 0.000 0.448 19 H N -1.309 117.420 119.070 -0.569 0.000 2.529 19 H HA 0.062 4.618 4.556 -0.000 0.000 0.277 19 H C -0.396 174.648 175.328 -0.474 0.000 1.004 19 H CA 0.303 56.089 56.048 -0.437 0.000 1.167 19 H CB 0.012 29.636 29.762 -0.229 0.000 1.445 19 H HN 0.675 nan 8.280 nan 0.000 0.554 20 H N 0.292 119.170 119.070 -0.321 0.000 2.713 20 H HA -0.126 4.430 4.556 -0.000 0.000 0.311 20 H C 0.724 175.980 175.328 -0.120 0.000 1.175 20 H CA 1.161 56.996 56.048 -0.355 0.000 1.143 20 H CB -2.284 26.896 29.762 -0.969 0.000 1.434 20 H HN 0.495 nan 8.280 nan 0.000 0.418 21 T N -3.256 111.341 114.554 0.072 0.000 3.170 21 T HA 0.030 4.380 4.350 -0.000 0.000 0.288 21 T C 1.222 176.092 174.700 0.283 0.000 0.992 21 T CA 0.165 62.440 62.100 0.292 0.000 0.909 21 T CB 0.464 69.468 68.868 0.227 0.000 1.133 21 T HN 0.335 nan 8.240 nan 0.000 0.530 22 D N 1.944 122.403 120.400 0.098 0.000 2.269 22 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 22 D C 1.625 177.926 176.300 0.001 0.000 0.963 22 D CA 0.456 54.486 54.000 0.050 0.000 0.864 22 D CB -0.048 40.745 40.800 -0.012 0.000 0.936 22 D HN 0.329 nan 8.370 nan 0.000 0.505 23 K N -0.086 120.230 120.400 -0.140 0.000 2.211 23 K HA -0.028 4.292 4.320 -0.000 0.000 0.203 23 K C 0.450 176.889 176.600 -0.269 0.000 1.050 23 K CA 0.086 56.098 56.287 -0.460 0.000 0.945 23 K CB -0.278 31.472 32.500 -1.251 0.000 0.732 23 K HN 0.201 nan 8.250 nan 0.000 0.451 24 F N 1.254 121.280 119.950 0.128 0.000 2.578 24 F HA -0.074 4.453 4.527 -0.000 0.000 0.376 24 F C 1.747 177.624 175.800 0.128 0.000 1.085 24 F CA 0.227 58.383 58.000 0.259 0.000 1.260 24 F CB 0.642 39.779 39.000 0.227 0.000 1.095 24 F HN -0.123 nan 8.300 nan 0.000 0.573 25 S N 1.615 117.510 115.700 0.325 0.000 2.786 25 S HA -0.024 4.446 4.470 -0.000 0.000 0.223 25 S C 0.653 175.348 174.600 0.159 0.000 0.956 25 S CA -0.063 58.251 58.200 0.190 0.000 0.961 25 S CB -0.478 62.818 63.200 0.160 0.000 0.784 25 S HN 0.608 nan 8.310 nan 0.000 0.519 26 S N -0.073 115.735 115.700 0.180 0.000 2.730 26 S HA 0.414 4.884 4.470 -0.000 0.000 0.284 26 S C 0.476 175.120 174.600 0.073 0.000 1.153 26 S CA -0.493 57.767 58.200 0.100 0.000 0.995 26 S CB 1.197 64.433 63.200 0.060 0.000 1.058 26 S HN 0.492 nan 8.310 nan 0.000 0.552 27 Q N -0.085 119.738 119.800 0.038 0.000 2.149 27 Q HA 0.259 4.599 4.340 -0.000 0.000 0.221 27 Q C -0.277 175.723 176.000 -0.000 0.000 0.807 27 Q CA -0.148 55.672 55.803 0.030 0.000 1.000 27 Q CB 0.723 29.480 28.738 0.033 0.000 1.157 27 Q HN 0.690 nan 8.270 nan 0.000 0.487 28 E N 0.605 120.790 120.200 -0.025 0.000 2.416 28 E HA 0.102 4.452 4.350 -0.000 0.000 0.254 28 E C -0.757 175.788 176.600 -0.091 0.000 1.241 28 E CA -0.280 56.076 56.400 -0.073 0.000 0.969 28 E CB 0.668 30.315 29.700 -0.087 0.000 0.999 28 E HN -0.045 nan 8.360 nan 0.000 0.481 29 L N 2.426 123.558 121.223 -0.152 0.000 2.268 29 L HA 0.310 4.650 4.340 -0.000 0.000 0.289 29 L C -1.128 175.649 176.870 -0.155 0.000 1.064 29 L CA 0.392 55.129 54.840 -0.172 0.000 0.824 29 L CB 0.042 41.921 42.059 -0.301 0.000 1.202 29 L HN 0.323 nan 8.230 nan 0.000 0.433 30 I N 6.488 126.965 120.570 -0.155 0.000 2.339 30 I HA 0.419 4.589 4.170 -0.000 0.000 0.290 30 I C -0.443 175.543 176.117 -0.219 0.000 0.994 30 I CA -0.362 60.840 61.300 -0.163 0.000 1.191 30 I CB 1.130 39.031 38.000 -0.166 0.000 1.343 30 I HN 0.519 nan 8.210 nan 0.000 0.458 31 L N 5.797 126.874 121.223 -0.244 0.000 2.303 31 L HA 0.652 4.992 4.340 -0.000 0.000 0.256 31 L C -0.446 176.396 176.870 -0.046 0.000 1.034 31 L CA -0.993 53.631 54.840 -0.361 0.000 0.832 31 L CB 2.188 43.777 42.059 -0.783 0.000 1.403 31 L HN 0.480 nan 8.230 nan 0.000 0.419 32 R N 0.362 121.001 120.500 0.232 0.000 2.637 32 R HA 0.462 4.802 4.340 -0.000 0.000 0.291 32 R C -0.828 175.557 176.300 0.141 0.000 0.963 32 R CA -0.923 55.294 56.100 0.195 0.000 0.901 32 R CB 2.163 32.596 30.300 0.221 0.000 1.160 32 R HN 0.566 nan 8.270 nan 0.000 0.457 33 R N 0.541 121.073 120.500 0.053 0.000 2.694 33 R HA 0.262 4.602 4.340 -0.000 0.000 0.268 33 R C 0.466 176.756 176.300 -0.017 0.000 1.061 33 R CA 0.582 56.662 56.100 -0.033 0.000 1.133 33 R CB 0.308 30.572 30.300 -0.059 0.000 1.020 33 R HN 0.773 nan 8.270 nan 0.000 0.475 34 G N 0.168 108.901 108.800 -0.111 0.000 2.179 34 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.260 34 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.260 34 G C -0.053 174.813 174.900 -0.058 0.000 0.977 34 G CA 0.656 45.702 45.100 -0.091 0.000 0.641 34 G HN 0.761 nan 8.290 nan 0.000 0.533 35 Q N 0.451 120.239 119.800 -0.019 0.000 2.365 35 Q HA 0.522 4.862 4.340 -0.000 0.000 0.269 35 Q C 0.132 176.216 176.000 0.140 0.000 1.061 35 Q CA -0.626 55.163 55.803 -0.024 0.000 0.816 35 Q CB 0.966 29.581 28.738 -0.204 0.000 1.325 35 Q HN 0.657 nan 8.270 nan 0.000 0.446 36 N N 1.415 120.188 118.700 0.122 0.000 2.477 36 N HA 0.609 5.349 4.740 -0.000 0.000 0.284 36 N C -0.944 174.840 175.510 0.456 0.000 1.182 36 N CA -0.555 52.626 53.050 0.219 0.000 0.949 36 N CB 0.960 39.442 38.487 -0.008 0.000 1.204 36 N HN 0.296 nan 8.380 nan 0.000 0.526 37 F N -2.332 117.699 119.950 0.134 0.000 2.631 37 F HA 0.485 5.011 4.527 -0.000 0.000 0.328 37 F C -0.445 175.429 175.800 0.125 0.000 1.067 37 F CA -1.304 56.790 58.000 0.156 0.000 0.969 37 F CB 1.214 40.213 39.000 -0.002 0.000 1.332 37 F HN 0.441 nan 8.300 nan 0.000 0.490 38 Q N 1.928 121.891 119.800 0.272 0.000 2.333 38 Q HA 0.696 5.036 4.340 -0.000 0.000 0.267 38 Q C -1.538 174.521 176.000 0.098 0.000 1.012 38 Q CA -0.933 54.922 55.803 0.087 0.000 0.824 38 Q CB 2.509 31.302 28.738 0.092 0.000 1.290 38 Q HN 0.917 nan 8.270 nan 0.000 0.449 39 V N 1.421 121.323 119.914 -0.020 0.000 3.001 39 V HA 0.685 4.805 4.120 -0.000 0.000 0.314 39 V C -1.130 174.908 176.094 -0.094 0.000 1.099 39 V CA -0.974 61.297 62.300 -0.048 0.000 0.989 39 V CB 1.928 33.674 31.823 -0.128 0.000 1.040 39 V HN 0.744 nan 8.190 nan 0.000 0.434 40 L N 3.606 124.756 121.223 -0.122 0.000 2.313 40 L HA 0.657 4.997 4.340 -0.000 0.000 0.283 40 L C -0.374 176.418 176.870 -0.131 0.000 1.013 40 L CA -0.400 54.377 54.840 -0.104 0.000 0.816 40 L CB 1.778 43.784 42.059 -0.087 0.000 1.236 40 L HN 0.721 nan 8.230 nan 0.000 0.419 41 M N 4.828 124.372 119.600 -0.093 0.000 2.046 41 M HA 0.469 4.949 4.480 -0.000 0.000 0.309 41 M C -0.990 175.270 176.300 -0.067 0.000 0.935 41 M CA -0.365 54.879 55.300 -0.094 0.000 0.915 41 M CB 1.185 33.745 32.600 -0.066 0.000 1.474 41 M HN 0.489 nan 8.290 nan 0.000 0.415 42 I N 6.307 126.836 120.570 -0.068 0.000 2.347 42 I HA 0.133 4.303 4.170 -0.000 0.000 0.294 42 I C -0.013 176.076 176.117 -0.046 0.000 1.090 42 I CA -0.254 61.016 61.300 -0.049 0.000 1.314 42 I CB 0.531 38.505 38.000 -0.043 0.000 1.423 42 I HN 0.621 nan 8.210 nan 0.000 0.503 43 M N 5.331 124.907 119.600 -0.040 0.000 2.245 43 M HA 0.166 4.646 4.480 -0.000 0.000 0.292 43 M C 1.128 177.410 176.300 -0.030 0.000 1.176 43 M CA -0.398 54.879 55.300 -0.038 0.000 1.035 43 M CB 0.263 32.841 32.600 -0.036 0.000 1.440 43 M HN 0.504 nan 8.290 nan 0.000 0.494 44 N N 0.644 119.327 118.700 -0.029 0.000 2.314 44 N HA 0.032 4.772 4.740 -0.000 0.000 0.200 44 N C -0.434 175.064 175.510 -0.019 0.000 1.135 44 N CA 0.055 53.092 53.050 -0.023 0.000 0.835 44 N CB 0.264 38.737 38.487 -0.023 0.000 0.989 44 N HN 0.768 nan 8.380 nan 0.000 0.478 45 K N -3.004 117.384 120.400 -0.020 0.000 2.770 45 K HA 0.485 4.805 4.320 -0.000 0.000 0.289 45 K C -0.801 175.790 176.600 -0.015 0.000 1.051 45 K CA -0.974 55.304 56.287 -0.016 0.000 0.814 45 K CB 0.104 32.596 32.500 -0.014 0.000 1.512 45 K HN -0.125 nan 8.250 nan 0.000 0.368 46 G N 0.603 109.396 108.800 -0.011 0.000 2.400 46 G HA2 0.482 4.442 3.960 -0.000 0.000 0.301 46 G HA3 0.482 4.442 3.960 -0.000 0.000 0.301 46 G C -0.896 174.000 174.900 -0.007 0.000 1.154 46 G CA -0.798 44.297 45.100 -0.009 0.000 0.852 46 G HN 0.327 nan 8.290 nan 0.000 0.511 47 L N 1.456 122.676 121.223 -0.005 0.000 2.499 47 L HA 0.424 4.764 4.340 -0.000 0.000 0.273 47 L C 1.109 177.980 176.870 0.001 0.000 1.195 47 L CA 0.661 55.500 54.840 -0.001 0.000 0.882 47 L CB 0.700 42.761 42.059 0.003 0.000 1.133 47 L HN 0.557 nan 8.230 nan 0.000 0.483 48 G N 1.282 110.084 108.800 0.004 0.000 2.417 48 G HA2 0.410 4.370 3.960 -0.000 0.000 0.334 48 G HA3 0.410 4.370 3.960 -0.000 0.000 0.334 48 G C 0.771 175.675 174.900 0.005 0.000 1.150 48 G CA 0.160 45.262 45.100 0.004 0.000 0.923 48 G HN 0.770 nan 8.290 nan 0.000 0.485 49 S N 1.138 116.839 115.700 0.003 0.000 2.392 49 S HA -0.233 4.237 4.470 -0.000 0.000 0.232 49 S C 1.497 176.096 174.600 -0.001 0.000 1.041 49 S CA 1.641 59.842 58.200 0.000 0.000 1.026 49 S CB -0.255 62.944 63.200 -0.001 0.000 0.845 49 S HN 0.517 nan 8.310 nan 0.000 0.465 50 N N 2.343 121.045 118.700 0.003 0.000 2.623 50 N HA 0.201 4.941 4.740 -0.000 0.000 0.263 50 N C -0.748 174.773 175.510 0.018 0.000 1.218 50 N CA -0.133 52.919 53.050 0.004 0.000 0.949 50 N CB 0.003 38.493 38.487 0.006 0.000 1.270 50 N HN 0.612 nan 8.380 nan 0.000 0.507 51 E N -0.188 120.024 120.200 0.020 0.000 2.393 51 E HA 0.438 4.788 4.350 -0.000 0.000 0.273 51 E C -0.923 175.705 176.600 0.046 0.000 0.918 51 E CA -0.936 55.493 56.400 0.050 0.000 0.773 51 E CB 2.649 32.373 29.700 0.040 0.000 1.275 51 E HN 0.038 nan 8.360 nan 0.000 0.451 52 R N 1.902 122.468 120.500 0.109 0.000 2.604 52 R HA 0.422 4.762 4.340 -0.000 0.000 0.270 52 R C -1.884 174.518 176.300 0.170 0.000 1.052 52 R CA -0.529 55.630 56.100 0.099 0.000 0.902 52 R CB 1.268 31.556 30.300 -0.021 0.000 1.233 52 R HN 0.518 nan 8.270 nan 0.000 0.455 53 L N 3.903 125.168 121.223 0.070 0.000 2.343 53 L HA 0.460 4.799 4.340 -0.000 0.000 0.278 53 L C -0.397 176.423 176.870 -0.083 0.000 0.996 53 L CA -0.779 54.031 54.840 -0.051 0.000 0.831 53 L CB 1.955 43.921 42.059 -0.155 0.000 1.232 53 L HN 0.499 nan 8.230 nan 0.000 0.413 54 E N 3.288 123.421 120.200 -0.111 0.000 2.151 54 E HA 0.402 4.751 4.350 -0.000 0.000 0.275 54 E C -1.029 175.357 176.600 -0.355 0.000 0.936 54 E CA -0.550 55.784 56.400 -0.110 0.000 0.777 54 E CB 2.336 32.063 29.700 0.044 0.000 1.108 54 E HN 0.198 nan 8.360 nan 0.000 0.401 55 F N 1.942 121.607 119.950 -0.475 0.000 2.375 55 F HA 0.376 4.903 4.527 -0.000 0.000 0.333 55 F C 0.687 176.171 175.800 -0.526 0.000 1.104 55 F CA -0.477 57.151 58.000 -0.619 0.000 1.149 55 F CB 0.753 39.061 39.000 -1.153 0.000 1.190 55 F HN 0.240 nan 8.300 nan 0.000 0.533 56 I N 3.803 124.319 120.570 -0.091 0.000 2.476 56 I HA 0.344 4.514 4.170 -0.000 0.000 0.281 56 I C -1.036 175.130 176.117 0.081 0.000 1.040 56 I CA -0.911 60.386 61.300 -0.005 0.000 1.094 56 I CB 1.361 39.353 38.000 -0.012 0.000 1.219 56 I HN 0.277 nan 8.210 nan 0.000 0.450 57 V N 2.598 122.560 119.914 0.080 0.000 2.630 57 V HA 0.955 5.075 4.120 -0.000 0.000 0.305 57 V C 0.099 176.233 176.094 0.066 0.000 1.046 57 V CA -0.368 61.983 62.300 0.085 0.000 0.934 57 V CB 1.539 33.271 31.823 -0.151 0.000 1.003 57 V HN 0.816 nan 8.190 nan 0.000 0.451 58 S N 1.488 117.248 115.700 0.101 0.000 2.537 58 S HA 0.800 5.270 4.470 -0.000 0.000 0.270 58 S C -0.665 173.786 174.600 -0.247 0.000 1.142 58 S CA -0.407 57.778 58.200 -0.025 0.000 0.870 58 S CB 1.911 65.091 63.200 -0.033 0.000 1.112 58 S HN 1.371 nan 8.310 nan 0.000 0.466 59 T N 0.498 114.816 114.554 -0.394 0.000 2.900 59 T HA 0.769 5.119 4.350 -0.000 0.000 0.303 59 T C 0.191 174.712 174.700 -0.298 0.000 1.142 59 T CA 0.959 62.710 62.100 -0.582 0.000 1.007 59 T CB 0.804 68.906 68.868 -1.275 0.000 1.156 59 T HN 2.526 nan 8.240 nan 0.000 0.490 60 G N 3.957 112.618 108.800 -0.231 0.000 2.829 60 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.628 60 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.628 60 G C -1.881 172.951 174.900 -0.113 0.000 1.412 60 G CA -0.168 44.876 45.100 -0.094 0.000 0.864 60 G HN 0.659 nan 8.290 nan 0.000 0.544 61 P HA 0.112 nan 4.420 nan 0.000 0.245 61 P C -0.234 176.632 177.300 -0.723 0.000 1.212 61 P CA 1.143 63.992 63.100 -0.418 0.000 0.774 61 P CB 0.063 31.478 31.700 -0.476 0.000 0.999 62 Y N -0.652 119.640 120.300 -0.014 0.000 2.634 62 Y HA 0.372 4.921 4.550 -0.000 0.000 0.300 62 Y C -2.418 173.469 175.900 -0.022 0.000 0.977 62 Y CA -2.903 55.185 58.100 -0.021 0.000 1.134 62 Y CB -0.151 38.292 38.460 -0.029 0.000 1.161 62 Y HN -0.082 nan 8.280 nan 0.000 0.623 63 P HA -0.033 nan 4.420 nan 0.000 0.263 63 P C 0.020 177.361 177.300 0.068 0.000 1.168 63 P CA 0.698 63.819 63.100 0.036 0.000 0.759 63 P CB 0.750 32.451 31.700 0.002 0.000 0.782 64 S N 1.795 117.534 115.700 0.065 0.000 2.720 64 S HA 0.236 4.706 4.470 -0.000 0.000 0.278 64 S C 0.785 175.429 174.600 0.074 0.000 1.172 64 S CA -0.597 57.643 58.200 0.065 0.000 1.019 64 S CB 0.667 63.902 63.200 0.058 0.000 1.049 64 S HN 0.217 nan 8.310 nan 0.000 0.483 65 E N 2.297 122.543 120.200 0.076 0.000 2.114 65 E HA -0.155 4.195 4.350 -0.000 0.000 0.199 65 E C 2.021 178.676 176.600 0.092 0.000 1.008 65 E CA 2.240 58.696 56.400 0.093 0.000 0.810 65 E CB -0.152 29.602 29.700 0.089 0.000 0.739 65 E HN 0.777 nan 8.360 nan 0.000 0.456 66 S N -0.102 115.640 115.700 0.070 0.000 2.453 66 S HA 0.049 4.519 4.470 -0.000 0.000 0.231 66 S C 1.991 176.627 174.600 0.060 0.000 1.005 66 S CA 0.682 58.919 58.200 0.061 0.000 0.949 66 S CB 0.038 63.263 63.200 0.043 0.000 0.774 66 S HN 0.295 nan 8.310 nan 0.000 0.510 67 A N 0.838 123.694 122.820 0.061 0.000 2.218 67 A HA 0.516 4.836 4.320 -0.000 0.000 0.209 67 A C 1.264 178.897 177.584 0.082 0.000 1.168 67 A CA 0.434 52.504 52.037 0.055 0.000 0.804 67 A CB -0.597 18.429 19.000 0.043 0.000 0.834 67 A HN 0.420 nan 8.150 nan 0.000 0.482 68 M N -1.404 118.264 119.600 0.113 0.000 2.943 68 M HA -0.171 4.309 4.480 -0.000 0.000 0.198 68 M C 1.011 177.431 176.300 0.200 0.000 0.606 68 M CA 1.351 56.757 55.300 0.176 0.000 0.744 68 M CB -2.615 30.091 32.600 0.178 0.000 2.671 68 M HN 0.680 nan 8.290 nan 0.000 0.342 69 T N -2.445 112.184 114.554 0.124 0.000 3.122 69 T HA 0.349 4.699 4.350 -0.000 0.000 0.250 69 T C 0.228 174.962 174.700 0.056 0.000 1.067 69 T CA 0.182 62.327 62.100 0.074 0.000 0.966 69 T CB 0.625 69.505 68.868 0.021 0.000 1.002 69 T HN 0.502 nan 8.240 nan 0.000 0.542 70 K N 0.155 120.615 120.400 0.100 0.000 2.557 70 K HA 0.640 4.960 4.320 -0.000 0.000 0.257 70 K C -2.184 174.468 176.600 0.087 0.000 0.933 70 K CA -0.707 55.623 56.287 0.071 0.000 0.820 70 K CB 2.067 34.600 32.500 0.056 0.000 1.330 70 K HN 0.147 nan 8.250 nan 0.000 0.432 71 A N 2.641 125.484 122.820 0.039 0.000 2.488 71 A HA 0.643 4.963 4.320 -0.000 0.000 0.298 71 A C -1.660 176.049 177.584 0.208 0.000 1.044 71 A CA -0.641 51.451 52.037 0.092 0.000 0.693 71 A CB 1.893 20.837 19.000 -0.093 0.000 1.272 71 A HN 0.300 nan 8.150 nan 0.000 0.402 72 V N 2.670 122.752 119.914 0.280 0.000 2.444 72 V HA 0.742 4.862 4.120 -0.000 0.000 0.294 72 V C -1.241 175.093 176.094 0.399 0.000 1.022 72 V CA -0.350 62.093 62.300 0.239 0.000 0.850 72 V CB 0.814 32.717 31.823 0.133 0.000 0.992 72 V HN 0.890 nan 8.190 nan 0.000 0.426 73 F N 4.882 124.934 119.950 0.171 0.000 2.574 73 F HA 0.830 5.357 4.527 -0.000 0.000 0.313 73 F C -2.976 172.972 175.800 0.247 0.000 1.130 73 F CA -3.264 54.851 58.000 0.192 0.000 0.936 73 F CB 1.629 40.752 39.000 0.207 0.000 1.219 73 F HN 0.274 nan 8.300 nan 0.000 0.445 74 P HA 0.077 nan 4.420 nan 0.000 0.275 74 P C -0.688 176.757 177.300 0.242 0.000 1.228 74 P CA -0.373 62.834 63.100 0.179 0.000 0.786 74 P CB 1.961 33.736 31.700 0.124 0.000 0.927 75 L N 2.944 124.309 121.223 0.237 0.000 2.454 75 L HA 0.125 4.465 4.340 -0.000 0.000 0.284 75 L C 0.052 177.008 176.870 0.143 0.000 1.139 75 L CA 0.842 55.834 54.840 0.253 0.000 0.911 75 L CB -0.582 41.651 42.059 0.290 0.000 1.262 75 L HN 0.402 nan 8.230 nan 0.000 0.453 76 S N 4.675 120.451 115.700 0.126 0.000 4.337 76 S HA 0.446 4.916 4.470 -0.000 0.000 0.207 76 S C -0.162 174.474 174.600 0.060 0.000 1.031 76 S CA -0.529 57.721 58.200 0.082 0.000 1.792 76 S CB 0.993 64.241 63.200 0.081 0.000 0.767 76 S HN 0.792 nan 8.310 nan 0.000 0.736 77 N N -0.435 118.294 118.700 0.047 0.000 2.503 77 N HA 0.441 5.181 4.740 -0.000 0.000 0.287 77 N C -1.329 174.196 175.510 0.024 0.000 1.096 77 N CA 0.165 53.232 53.050 0.030 0.000 0.936 77 N CB 1.266 39.766 38.487 0.022 0.000 1.570 77 N HN 0.934 nan 8.380 nan 0.000 0.504 78 G N 1.880 110.690 108.800 0.015 0.000 3.402 78 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.686 78 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.686 78 G C -0.207 174.699 174.900 0.010 0.000 0.983 78 G CA -0.155 44.950 45.100 0.008 0.000 0.821 78 G HN 0.646 nan 8.290 nan 0.000 0.500 79 S N 0.602 116.298 115.700 -0.005 0.000 2.550 79 S HA 0.424 4.894 4.470 -0.000 0.000 0.285 79 S C 1.473 176.072 174.600 -0.002 0.000 1.326 79 S CA 1.068 59.260 58.200 -0.014 0.000 1.037 79 S CB 0.204 63.379 63.200 -0.042 0.000 0.838 79 S HN 2.202 nan 8.310 nan 0.000 0.519 80 S N 2.141 117.842 115.700 0.002 0.000 2.835 80 S HA 0.573 5.043 4.470 -0.000 0.000 0.248 80 S C 0.640 175.241 174.600 0.002 0.000 1.070 80 S CA -0.069 58.141 58.200 0.015 0.000 1.090 80 S CB -0.243 62.985 63.200 0.047 0.000 0.978 80 S HN 1.728 nan 8.310 nan 0.000 0.510 81 G N 0.739 109.521 108.800 -0.029 0.000 2.877 81 G HA2 0.271 4.231 3.960 -0.000 0.000 0.279 81 G HA3 0.271 4.231 3.960 -0.000 0.000 0.279 81 G C 0.713 175.570 174.900 -0.071 0.000 1.431 81 G CA -0.323 44.749 45.100 -0.048 0.000 0.883 81 G HN 1.819 nan 8.290 nan 0.000 0.547 82 G N -0.761 107.982 108.800 -0.095 0.000 2.684 82 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.332 82 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.332 82 G C 0.537 175.264 174.900 -0.289 0.000 1.306 82 G CA 1.548 46.571 45.100 -0.128 0.000 1.002 82 G HN 1.753 nan 8.290 nan 0.000 0.545 83 W N 1.275 122.390 121.300 -0.308 0.000 2.448 83 W HA 0.626 5.286 4.660 -0.000 0.000 0.339 83 W C 0.570 176.643 176.519 -0.744 0.000 1.124 83 W CA 0.378 57.293 57.345 -0.716 0.000 1.262 83 W CB 1.856 30.562 29.460 -1.256 0.000 1.251 83 W HN 1.109 nan 8.180 nan 0.000 0.597 84 S N 0.528 115.918 115.700 -0.517 0.000 2.565 84 S HA 0.813 5.283 4.470 -0.000 0.000 0.274 84 S C -1.412 173.265 174.600 0.130 0.000 1.144 84 S CA -1.142 57.047 58.200 -0.020 0.000 0.849 84 S CB 1.194 64.389 63.200 -0.008 0.000 1.103 84 S HN 0.996 nan 8.310 nan 0.000 0.455 85 A N 1.660 124.637 122.820 0.263 0.000 2.332 85 A HA 0.762 5.082 4.320 -0.000 0.000 0.300 85 A C -0.873 176.723 177.584 0.020 0.000 1.153 85 A CA -0.755 51.274 52.037 -0.013 0.000 0.764 85 A CB 1.171 19.983 19.000 -0.313 0.000 1.174 85 A HN 1.187 nan 8.150 nan 0.000 0.467 86 V N 3.224 123.116 119.914 -0.037 0.000 2.398 86 V HA 0.336 4.455 4.120 -0.000 0.000 0.286 86 V C -0.291 175.798 176.094 -0.008 0.000 1.026 86 V CA -0.595 61.701 62.300 -0.006 0.000 0.868 86 V CB 1.460 33.272 31.823 -0.017 0.000 0.982 86 V HN 0.807 nan 8.190 nan 0.000 0.443 87 L N 5.356 126.590 121.223 0.018 0.000 2.363 87 L HA 0.317 4.657 4.340 -0.000 0.000 0.286 87 L C 1.133 178.003 176.870 0.001 0.000 1.106 87 L CA 0.807 55.656 54.840 0.015 0.000 0.859 87 L CB 0.673 42.750 42.059 0.030 0.000 1.223 87 L HN 0.738 nan 8.230 nan 0.000 0.446 88 Q N 4.036 123.829 119.800 -0.012 0.000 2.302 88 Q HA 0.403 4.743 4.340 -0.000 0.000 0.202 88 Q C 0.118 176.109 176.000 -0.015 0.000 0.936 88 Q CA 0.740 56.534 55.803 -0.015 0.000 0.886 88 Q CB 0.378 29.102 28.738 -0.023 0.000 0.986 88 Q HN 0.765 nan 8.270 nan 0.000 0.487 89 A N 0.125 122.936 122.820 -0.016 0.000 2.594 89 A HA 0.572 4.892 4.320 -0.000 0.000 0.296 89 A C -1.253 176.321 177.584 -0.015 0.000 1.061 89 A CA -0.600 51.427 52.037 -0.017 0.000 0.689 89 A CB 1.881 20.867 19.000 -0.024 0.000 1.280 89 A HN -0.050 nan 8.150 nan 0.000 0.406 90 S N 1.951 117.644 115.700 -0.013 0.000 2.707 90 S HA 0.535 5.005 4.470 -0.000 0.000 0.312 90 S C -0.986 173.606 174.600 -0.014 0.000 1.116 90 S CA -0.649 57.544 58.200 -0.012 0.000 1.078 90 S CB 0.565 63.761 63.200 -0.007 0.000 0.997 90 S HN 0.560 nan 8.310 nan 0.000 0.477 91 N N 2.475 121.164 118.700 -0.018 0.000 2.569 91 N HA 0.484 5.224 4.740 -0.000 0.000 0.254 91 N C 0.727 176.227 175.510 -0.018 0.000 1.004 91 N CA 0.106 53.146 53.050 -0.018 0.000 0.904 91 N CB 1.598 40.073 38.487 -0.021 0.000 1.165 91 N HN 0.832 nan 8.380 nan 0.000 0.513 92 G N 3.247 112.038 108.800 -0.015 0.000 2.543 92 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.286 92 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.286 92 G C 0.356 175.246 174.900 -0.015 0.000 1.153 92 G CA -0.054 45.037 45.100 -0.014 0.000 0.968 92 G HN 0.552 nan 8.290 nan 0.000 0.544 93 N N 1.320 120.009 118.700 -0.018 0.000 2.214 93 N HA 0.210 4.950 4.740 -0.000 0.000 0.214 93 N C -0.035 175.460 175.510 -0.025 0.000 1.132 93 N CA 0.686 53.724 53.050 -0.020 0.000 0.856 93 N CB 0.868 39.342 38.487 -0.020 0.000 1.020 93 N HN 0.450 nan 8.380 nan 0.000 0.509 94 T N 1.935 116.474 114.554 -0.025 0.000 2.743 94 T HA 0.418 4.768 4.350 -0.000 0.000 0.292 94 T C 0.320 175.002 174.700 -0.029 0.000 0.972 94 T CA -0.354 61.727 62.100 -0.031 0.000 0.967 94 T CB 1.039 69.887 68.868 -0.034 0.000 0.926 94 T HN -0.035 nan 8.240 nan 0.000 0.459 95 L N 3.548 124.754 121.223 -0.029 0.000 2.264 95 L HA 0.392 4.732 4.340 -0.000 0.000 0.289 95 L C 0.630 177.483 176.870 -0.028 0.000 1.044 95 L CA -0.682 54.147 54.840 -0.019 0.000 0.807 95 L CB 1.040 43.097 42.059 -0.002 0.000 1.192 95 L HN 0.506 nan 8.230 nan 0.000 0.425 96 T N 5.028 119.564 114.554 -0.030 0.000 2.728 96 T HA 0.579 4.929 4.350 -0.000 0.000 0.296 96 T C -0.007 174.670 174.700 -0.039 0.000 0.940 96 T CA -0.061 62.012 62.100 -0.045 0.000 1.013 96 T CB 0.416 69.254 68.868 -0.051 0.000 0.912 96 T HN 0.278 nan 8.240 nan 0.000 0.484 97 I N 2.015 122.552 120.570 -0.054 0.000 2.646 97 I HA 0.470 4.640 4.170 -0.000 0.000 0.299 97 I C 0.101 176.137 176.117 -0.135 0.000 1.036 97 I CA -0.879 60.376 61.300 -0.074 0.000 1.074 97 I CB 2.234 40.204 38.000 -0.051 0.000 1.258 97 I HN 0.448 nan 8.210 nan 0.000 0.430 98 S N 6.438 122.046 115.700 -0.152 0.000 2.594 98 S HA 0.623 5.093 4.470 -0.000 0.000 0.322 98 S C -0.705 173.722 174.600 -0.289 0.000 1.085 98 S CA -0.507 57.579 58.200 -0.189 0.000 1.116 98 S CB 0.201 63.345 63.200 -0.095 0.000 0.979 98 S HN 0.410 nan 8.310 nan 0.000 0.465 99 I N 4.232 124.479 120.570 -0.539 0.000 2.437 99 I HA 0.451 4.621 4.170 -0.000 0.000 0.298 99 I C 0.228 176.061 176.117 -0.474 0.000 0.984 99 I CA -0.536 60.423 61.300 -0.568 0.000 1.214 99 I CB 2.047 39.540 38.000 -0.844 0.000 1.365 99 I HN 0.688 nan 8.210 nan 0.000 0.469 100 S N 3.372 118.927 115.700 -0.242 0.000 2.526 100 S HA 0.693 5.163 4.470 -0.000 0.000 0.293 100 S C -0.482 173.917 174.600 -0.335 0.000 1.092 100 S CA -0.710 57.375 58.200 -0.192 0.000 0.980 100 S CB 1.837 64.936 63.200 -0.169 0.000 1.048 100 S HN 0.649 nan 8.310 nan 0.000 0.483 101 S N 1.657 117.069 115.700 -0.480 0.000 2.593 101 S HA 0.742 5.212 4.470 -0.000 0.000 0.297 101 S C -2.967 171.144 174.600 -0.814 0.000 1.112 101 S CA -1.641 55.829 58.200 -1.217 0.000 1.043 101 S CB 1.066 63.585 63.200 -1.136 0.000 1.054 101 S HN 0.682 nan 8.310 nan 0.000 0.516 102 P HA 0.237 nan 4.420 nan 0.000 0.275 102 P C 0.533 177.665 177.300 -0.279 0.000 1.227 102 P CA -0.330 62.498 63.100 -0.454 0.000 0.781 102 P CB 1.050 32.523 31.700 -0.378 0.000 0.906 103 A N 3.298 126.027 122.820 -0.152 0.000 2.186 103 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 103 A C 1.750 179.332 177.584 -0.003 0.000 1.159 103 A CA 1.883 53.886 52.037 -0.058 0.000 0.680 103 A CB -1.126 17.858 19.000 -0.027 0.000 0.787 103 A HN 0.647 nan 8.150 nan 0.000 0.467 104 S N -1.335 114.354 115.700 -0.019 0.000 2.568 104 S HA 0.621 5.090 4.470 -0.000 0.000 0.232 104 S C 0.661 175.292 174.600 0.051 0.000 0.975 104 S CA 0.198 58.421 58.200 0.038 0.000 0.949 104 S CB -0.388 62.834 63.200 0.036 0.000 0.829 104 S HN 0.781 nan 8.310 nan 0.000 0.479 105 A N 2.616 125.442 122.820 0.010 0.000 2.445 105 A HA 0.567 4.887 4.320 -0.000 0.000 0.242 105 A C -2.648 175.019 177.584 0.139 0.000 1.075 105 A CA -1.245 50.854 52.037 0.104 0.000 0.777 105 A CB -0.412 18.611 19.000 0.039 0.000 1.013 105 A HN 0.323 nan 8.150 nan 0.000 0.493 106 P HA 0.238 nan 4.420 nan 0.000 0.276 106 P C -0.102 177.300 177.300 0.170 0.000 1.230 106 P CA -0.029 63.160 63.100 0.148 0.000 0.776 106 P CB 0.474 32.253 31.700 0.132 0.000 0.888 107 I N 0.070 120.604 120.570 -0.060 0.000 2.823 107 I HA 0.768 4.938 4.170 -0.000 0.000 0.290 107 I C 0.698 176.829 176.117 0.023 0.000 1.091 107 I CA -0.108 61.126 61.300 -0.111 0.000 1.365 107 I CB 0.226 37.921 38.000 -0.508 0.000 1.427 107 I HN 0.597 nan 8.210 nan 0.000 0.583 108 G N 3.324 112.159 108.800 0.058 0.000 2.334 108 G HA2 0.020 3.979 3.960 -0.000 0.000 0.315 108 G HA3 0.020 3.979 3.960 -0.000 0.000 0.315 108 G C -1.064 173.848 174.900 0.020 0.000 1.284 108 G CA -1.134 43.963 45.100 -0.005 0.000 0.985 108 G HN 0.821 nan 8.290 nan 0.000 0.504 109 R N -0.133 120.299 120.500 -0.113 0.000 2.316 109 R HA 0.477 4.817 4.340 -0.000 0.000 0.314 109 R C -0.951 175.177 176.300 -0.286 0.000 1.069 109 R CA 0.109 56.110 56.100 -0.166 0.000 0.959 109 R CB 0.454 30.651 30.300 -0.172 0.000 0.987 109 R HN 0.443 nan 8.270 nan 0.000 0.446 110 Y N 0.120 120.076 120.300 -0.572 0.000 2.549 110 Y HA 0.308 4.858 4.550 -0.000 0.000 0.339 110 Y C 0.591 176.099 175.900 -0.653 0.000 1.053 110 Y CA -0.531 57.157 58.100 -0.686 0.000 1.105 110 Y CB 2.466 40.245 38.460 -1.134 0.000 1.258 110 Y HN 0.388 nan 8.280 nan 0.000 0.478 111 T N 3.808 118.243 114.554 -0.199 0.000 2.829 111 T HA 0.485 4.835 4.350 -0.000 0.000 0.280 111 T C -1.022 173.731 174.700 0.089 0.000 0.999 111 T CA -0.693 61.359 62.100 -0.080 0.000 0.983 111 T CB 0.614 69.449 68.868 -0.056 0.000 0.968 111 T HN 0.541 nan 8.240 nan 0.000 0.446 112 M N 3.641 123.378 119.600 0.228 0.000 2.181 112 M HA 0.731 5.211 4.480 -0.000 0.000 0.323 112 M C -0.997 175.467 176.300 0.272 0.000 1.004 112 M CA -0.572 54.952 55.300 0.372 0.000 0.941 112 M CB 0.827 33.836 32.600 0.682 0.000 1.579 112 M HN 0.729 nan 8.290 nan 0.000 0.427 113 A N 4.216 127.133 122.820 0.162 0.000 2.344 113 A HA 0.936 5.256 4.320 -0.000 0.000 0.307 113 A C -1.945 175.617 177.584 -0.037 0.000 1.151 113 A CA -0.774 51.303 52.037 0.065 0.000 0.842 113 A CB 1.711 20.721 19.000 0.016 0.000 1.350 113 A HN 0.822 nan 8.150 nan 0.000 0.459 114 L N -0.268 120.881 121.223 -0.123 0.000 2.408 114 L HA 0.583 4.923 4.340 -0.000 0.000 0.268 114 L C -0.489 176.240 176.870 -0.236 0.000 0.986 114 L CA -0.112 54.556 54.840 -0.286 0.000 0.820 114 L CB 2.144 44.003 42.059 -0.333 0.000 1.303 114 L HN 0.828 nan 8.230 nan 0.000 0.411 115 Q N 4.414 124.053 119.800 -0.268 0.000 2.333 115 Q HA 0.645 4.985 4.340 -0.000 0.000 0.267 115 Q C -1.700 174.138 176.000 -0.271 0.000 1.012 115 Q CA -0.570 55.081 55.803 -0.253 0.000 0.824 115 Q CB 1.621 30.228 28.738 -0.218 0.000 1.290 115 Q HN 0.711 nan 8.270 nan 0.000 0.449 116 I N 3.651 124.035 120.570 -0.310 0.000 2.433 116 I HA 0.345 4.515 4.170 -0.000 0.000 0.292 116 I C -1.057 174.867 176.117 -0.322 0.000 1.001 116 I CA -0.798 60.364 61.300 -0.229 0.000 1.119 116 I CB 1.326 39.235 38.000 -0.153 0.000 1.289 116 I HN 0.595 nan 8.210 nan 0.000 0.438 117 F N 4.475 124.387 119.950 -0.064 0.000 2.308 117 F HA 0.414 4.940 4.527 -0.000 0.000 0.370 117 F C 0.465 176.242 175.800 -0.039 0.000 1.100 117 F CA -0.278 57.695 58.000 -0.044 0.000 1.108 117 F CB 1.448 40.425 39.000 -0.037 0.000 1.293 117 F HN 0.311 nan 8.300 nan 0.000 0.478 118 S N 3.081 118.831 115.700 0.083 0.000 2.575 118 S HA 0.349 4.819 4.470 -0.000 0.000 0.278 118 S C -0.659 173.961 174.600 0.033 0.000 1.139 118 S CA -0.502 57.726 58.200 0.046 0.000 0.954 118 S CB 0.920 64.123 63.200 0.006 0.000 1.054 118 S HN 0.684 nan 8.310 nan 0.000 0.483 119 Q N 2.708 122.528 119.800 0.033 0.000 2.439 119 Q HA -0.206 4.134 4.340 -0.000 0.000 0.325 119 Q C 0.969 176.986 176.000 0.028 0.000 1.372 119 Q CA 0.951 56.768 55.803 0.023 0.000 0.909 119 Q CB -1.913 26.831 28.738 0.009 0.000 1.167 119 Q HN 1.738 nan 8.270 nan 0.000 0.418 120 G N -2.129 106.700 108.800 0.048 0.000 2.175 120 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.265 120 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.265 120 G C 0.358 175.288 174.900 0.049 0.000 0.979 120 G CA 0.305 45.437 45.100 0.052 0.000 0.663 120 G HN 0.959 nan 8.290 nan 0.000 0.533 121 G N -1.136 107.686 108.800 0.036 0.000 2.685 121 G HA2 0.759 4.719 3.960 -0.000 0.000 0.298 121 G HA3 0.759 4.719 3.960 -0.000 0.000 0.298 121 G C -0.822 174.041 174.900 -0.061 0.000 1.277 121 G CA -1.054 44.042 45.100 -0.006 0.000 0.986 121 G HN 0.674 nan 8.290 nan 0.000 0.487 122 I N 1.173 121.659 120.570 -0.140 0.000 2.512 122 I HA 0.373 4.543 4.170 -0.000 0.000 0.287 122 I C -0.082 175.893 176.117 -0.236 0.000 1.069 122 I CA -0.658 60.452 61.300 -0.316 0.000 1.056 122 I CB 2.266 40.021 38.000 -0.408 0.000 1.229 122 I HN 0.586 nan 8.210 nan 0.000 0.429 123 S N 3.545 119.099 115.700 -0.244 0.000 2.638 123 S HA 0.821 5.291 4.470 -0.000 0.000 0.302 123 S C -0.646 173.839 174.600 -0.193 0.000 1.096 123 S CA -0.742 57.355 58.200 -0.171 0.000 0.953 123 S CB 2.311 65.437 63.200 -0.124 0.000 1.107 123 S HN 0.532 nan 8.310 nan 0.000 0.503 124 S N -0.316 115.300 115.700 -0.141 0.000 2.541 124 S HA 0.797 5.267 4.470 -0.000 0.000 0.271 124 S C -1.701 172.844 174.600 -0.091 0.000 1.133 124 S CA -0.515 57.606 58.200 -0.133 0.000 0.876 124 S CB 1.556 64.681 63.200 -0.124 0.000 1.105 124 S HN 1.382 nan 8.310 nan 0.000 0.470 125 V N 3.566 123.431 119.914 -0.082 0.000 3.120 125 V HA 0.586 4.706 4.120 -0.000 0.000 0.303 125 V C -1.107 174.976 176.094 -0.017 0.000 1.238 125 V CA -0.848 61.425 62.300 -0.046 0.000 1.008 125 V CB 2.180 33.976 31.823 -0.044 0.000 1.064 125 V HN 0.972 nan 8.190 nan 0.000 0.434 126 K N 4.056 124.465 120.400 0.015 0.000 2.249 126 K HA 0.507 4.827 4.320 -0.000 0.000 0.280 126 K C 0.128 176.795 176.600 0.111 0.000 1.033 126 K CA -0.415 55.907 56.287 0.058 0.000 0.946 126 K CB 1.291 33.821 32.500 0.050 0.000 1.005 126 K HN 0.710 nan 8.250 nan 0.000 0.469 127 L N 2.015 123.360 121.223 0.204 0.000 2.262 127 L HA 0.339 4.679 4.340 -0.000 0.000 0.197 127 L C 1.209 178.392 176.870 0.522 0.000 1.073 127 L CA 0.498 55.541 54.840 0.337 0.000 0.800 127 L CB 0.137 42.446 42.059 0.416 0.000 0.987 127 L HN 0.939 nan 8.230 nan 0.000 0.470 128 G N -0.706 108.373 108.800 0.465 0.000 2.450 128 G HA2 0.429 4.389 3.960 -0.000 0.000 0.273 128 G HA3 0.429 4.389 3.960 -0.000 0.000 0.273 128 G C -1.402 173.508 174.900 0.017 0.000 1.221 128 G CA 0.288 45.520 45.100 0.221 0.000 0.900 128 G HN 0.046 nan 8.290 nan 0.000 0.483 129 T N -1.825 112.614 114.554 -0.192 0.000 2.923 129 T HA 0.790 5.140 4.350 -0.000 0.000 0.311 129 T C -1.004 173.554 174.700 -0.237 0.000 1.183 129 T CA -0.575 61.402 62.100 -0.206 0.000 1.020 129 T CB 1.928 70.689 68.868 -0.178 0.000 1.165 129 T HN 1.808 nan 8.240 nan 0.000 0.482 130 F N -0.512 119.296 119.950 -0.238 0.000 2.645 130 F HA 0.840 5.367 4.527 -0.000 0.000 0.310 130 F C -1.742 173.978 175.800 -0.133 0.000 1.102 130 F CA -1.837 55.998 58.000 -0.274 0.000 0.952 130 F CB 1.052 39.822 39.000 -0.384 0.000 1.326 130 F HN 0.596 nan 8.300 nan 0.000 0.456 131 I N 2.834 123.405 120.570 0.001 0.000 2.359 131 I HA 0.436 4.606 4.170 -0.000 0.000 0.294 131 I C -1.224 174.937 176.117 0.072 0.000 0.987 131 I CA -0.942 60.344 61.300 -0.023 0.000 1.225 131 I CB 1.787 39.723 38.000 -0.106 0.000 1.366 131 I HN 0.532 nan 8.210 nan 0.000 0.466 132 L N 7.809 129.097 121.223 0.108 0.000 2.305 132 L HA 0.601 4.941 4.340 -0.000 0.000 0.284 132 L C -0.814 176.049 176.870 -0.013 0.000 1.013 132 L CA -0.041 54.840 54.840 0.069 0.000 0.819 132 L CB 1.090 43.191 42.059 0.069 0.000 1.227 132 L HN 0.470 nan 8.230 nan 0.000 0.417 133 L N 3.057 124.261 121.223 -0.032 0.000 2.260 133 L HA 0.566 4.906 4.340 -0.000 0.000 0.265 133 L C -0.526 176.314 176.870 -0.050 0.000 1.015 133 L CA -0.949 53.851 54.840 -0.066 0.000 0.826 133 L CB 1.068 43.162 42.059 0.059 0.000 1.373 133 L HN 0.298 nan 8.230 nan 0.000 0.450 134 F N 0.338 120.388 119.950 0.166 0.000 2.496 134 F HA 0.107 4.634 4.527 -0.000 0.000 0.344 134 F C 0.824 176.771 175.800 0.246 0.000 1.155 134 F CA 0.047 58.157 58.000 0.182 0.000 1.302 134 F CB 0.138 39.245 39.000 0.178 0.000 1.159 134 F HN 0.322 nan 8.300 nan 0.000 0.595 135 N N 3.006 121.988 118.700 0.469 0.000 2.898 135 N HA 0.308 5.048 4.740 -0.000 0.000 0.245 135 N C -2.303 173.528 175.510 0.535 0.000 1.185 135 N CA -2.196 51.132 53.050 0.463 0.000 0.879 135 N CB 0.864 39.542 38.487 0.318 0.000 1.157 135 N HN 0.077 nan 8.380 nan 0.000 0.503 136 P HA -0.022 nan 4.420 nan 0.000 0.229 136 P C 0.799 178.253 177.300 0.257 0.000 1.150 136 P CA 0.886 64.161 63.100 0.293 0.000 0.765 136 P CB 0.094 31.798 31.700 0.006 0.000 0.783 137 W N -1.704 119.723 121.300 0.212 0.000 2.942 137 W HA 0.218 4.879 4.660 0.000 0.000 0.263 137 W C 0.526 177.221 176.519 0.293 0.000 1.296 137 W CA -0.226 57.242 57.345 0.205 0.000 1.504 137 W CB 0.279 29.759 29.460 0.032 0.000 1.096 137 W HN -0.104 nan 8.180 nan 0.000 0.639 138 L N 3.191 124.696 121.223 0.470 0.000 2.283 138 L HA 0.060 4.400 4.340 -0.000 0.000 0.287 138 L C 1.502 178.277 176.870 -0.158 0.000 1.073 138 L CA 0.097 55.035 54.840 0.164 0.000 0.822 138 L CB 0.653 42.792 42.059 0.134 0.000 1.186 138 L HN 0.153 nan 8.230 nan 0.000 0.436 139 N N 2.787 121.082 118.700 -0.675 0.000 2.334 139 N HA -0.190 4.550 4.740 -0.000 0.000 0.187 139 N C 1.031 176.158 175.510 -0.639 0.000 1.016 139 N CA 1.327 53.521 53.050 -1.426 0.000 0.879 139 N CB -0.095 37.884 38.487 -0.846 0.000 0.965 139 N HN 0.565 nan 8.380 nan 0.000 0.438 140 V N -3.381 116.371 119.914 -0.271 0.000 3.590 140 V HA 0.094 4.214 4.120 -0.000 0.000 0.265 140 V C 0.555 176.650 176.094 0.001 0.000 1.239 140 V CA -0.011 62.224 62.300 -0.107 0.000 1.117 140 V CB -0.313 31.464 31.823 -0.076 0.000 0.818 140 V HN 0.052 nan 8.190 nan 0.000 0.451 141 D N 1.779 122.216 120.400 0.061 0.000 2.382 141 D HA 0.116 4.756 4.640 -0.000 0.000 0.245 141 D C 1.576 177.996 176.300 0.201 0.000 1.120 141 D CA 1.047 55.143 54.000 0.160 0.000 0.890 141 D CB 2.121 43.066 40.800 0.241 0.000 1.201 141 D HN 0.388 nan 8.370 nan 0.000 0.433 142 S N 1.961 117.762 115.700 0.169 0.000 2.383 142 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 142 S C 1.883 176.594 174.600 0.184 0.000 1.030 142 S CA 1.358 59.645 58.200 0.145 0.000 1.002 142 S CB -0.811 62.443 63.200 0.090 0.000 0.829 142 S HN 0.503 nan 8.310 nan 0.000 0.467 143 V N -1.615 118.415 119.914 0.194 0.000 3.623 143 V HA 0.361 4.481 4.120 -0.000 0.000 0.274 143 V C 0.628 176.926 176.094 0.339 0.000 1.244 143 V CA -0.638 61.805 62.300 0.239 0.000 1.182 143 V CB -2.028 29.868 31.823 0.122 0.000 0.925 143 V HN 0.334 nan 8.190 nan 0.000 0.462 144 F N 2.425 122.491 119.950 0.193 0.000 2.623 144 F HA 0.366 4.893 4.527 -0.000 0.000 0.383 144 F C 0.099 176.040 175.800 0.235 0.000 1.077 144 F CA -0.190 57.912 58.000 0.170 0.000 1.268 144 F CB 0.442 39.517 39.000 0.125 0.000 1.053 144 F HN 0.261 nan 8.300 nan 0.000 0.571 145 M N 6.615 125.702 119.600 -0.854 0.000 2.151 145 M HA 0.371 4.851 4.480 -0.000 0.000 0.290 145 M C 0.534 176.132 176.300 -1.170 0.000 0.965 145 M CA -0.235 54.522 55.300 -0.905 0.000 0.930 145 M CB 1.661 33.803 32.600 -0.763 0.000 1.560 145 M HN 0.725 nan 8.290 nan 0.000 0.438 146 G N 3.444 111.638 108.800 -1.010 0.000 2.396 146 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.214 146 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.214 146 G C 0.568 175.289 174.900 -0.299 0.000 1.166 146 G CA -0.022 44.742 45.100 -0.561 0.000 0.793 146 G HN 0.716 nan 8.290 nan 0.000 0.533 147 N N 0.165 118.688 118.700 -0.294 0.000 2.452 147 N HA -0.006 4.734 4.740 -0.000 0.000 0.266 147 N C 1.112 176.496 175.510 -0.210 0.000 1.175 147 N CA -0.170 52.768 53.050 -0.187 0.000 0.945 147 N CB 0.865 39.255 38.487 -0.161 0.000 1.063 147 N HN 0.282 nan 8.380 nan 0.000 0.472 148 H N 4.469 123.426 119.070 -0.189 0.000 2.289 148 H HA -0.173 4.383 4.556 -0.000 0.000 0.296 148 H C 1.756 176.975 175.328 -0.182 0.000 1.091 148 H CA 2.903 58.842 56.048 -0.181 0.000 1.274 148 H CB 0.046 29.754 29.762 -0.090 0.000 1.364 148 H HN 0.742 nan 8.280 nan 0.000 0.490 149 A N 0.390 123.126 122.820 -0.140 0.000 1.972 149 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 149 A C 2.263 179.662 177.584 -0.307 0.000 1.169 149 A CA 1.783 53.707 52.037 -0.188 0.000 0.635 149 A CB -0.410 18.547 19.000 -0.073 0.000 0.810 149 A HN 0.704 nan 8.150 nan 0.000 0.446 150 E N -0.831 119.187 120.200 -0.304 0.000 2.016 150 E HA -0.175 4.175 4.350 -0.000 0.000 0.190 150 E C 2.307 178.676 176.600 -0.384 0.000 0.985 150 E CA 1.083 57.269 56.400 -0.358 0.000 0.802 150 E CB -0.225 29.361 29.700 -0.190 0.000 0.762 150 E HN 0.615 nan 8.360 nan 0.000 0.448 151 R N 1.050 121.307 120.500 -0.405 0.000 2.127 151 R HA -0.184 4.156 4.340 -0.000 0.000 0.238 151 R C 1.957 178.016 176.300 -0.401 0.000 1.134 151 R CA 1.292 57.116 56.100 -0.460 0.000 0.975 151 R CB 0.088 29.942 30.300 -0.744 0.000 0.865 151 R HN 0.086 nan 8.270 nan 0.000 0.447 152 E N 0.489 120.430 120.200 -0.432 0.000 2.047 152 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 152 E C 1.800 178.284 176.600 -0.193 0.000 0.987 152 E CA 1.421 57.647 56.400 -0.291 0.000 0.799 152 E CB -0.095 29.386 29.700 -0.364 0.000 0.752 152 E HN 0.427 nan 8.360 nan 0.000 0.449 153 E N 0.052 120.066 120.200 -0.311 0.000 2.152 153 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 153 E C 1.152 177.581 176.600 -0.285 0.000 0.983 153 E CA 1.038 57.234 56.400 -0.340 0.000 0.818 153 E CB -0.240 29.131 29.700 -0.548 0.000 0.758 153 E HN 0.229 nan 8.360 nan 0.000 0.467 154 Y N -0.930 119.332 120.300 -0.064 0.000 2.466 154 Y HA 0.269 4.819 4.550 -0.000 0.000 0.272 154 Y C 1.259 177.138 175.900 -0.035 0.000 1.169 154 Y CA -0.050 58.032 58.100 -0.030 0.000 1.285 154 Y CB 0.740 39.221 38.460 0.035 0.000 1.078 154 Y HN -0.021 nan 8.280 nan 0.000 0.523 155 V N -2.150 117.809 119.914 0.074 0.000 3.177 155 V HA -0.018 4.101 4.120 -0.000 0.000 0.220 155 V C 1.621 177.813 176.094 0.163 0.000 1.395 155 V CA 0.275 62.642 62.300 0.111 0.000 1.317 155 V CB 0.214 32.107 31.823 0.117 0.000 1.148 155 V HN -0.020 nan 8.190 nan 0.000 0.499 156 Q N 0.621 120.532 119.800 0.185 0.000 2.331 156 Q HA 0.068 4.408 4.340 -0.000 0.000 0.203 156 Q C 0.932 177.138 176.000 0.343 0.000 0.944 156 Q CA 0.484 56.484 55.803 0.327 0.000 0.892 156 Q CB 0.069 28.938 28.738 0.218 0.000 0.983 156 Q HN 0.593 nan 8.270 nan 0.000 0.482 157 E N 2.621 122.930 120.200 0.182 0.000 2.290 157 E HA -0.024 4.326 4.350 -0.000 0.000 0.277 157 E C -0.173 176.588 176.600 0.268 0.000 1.035 157 E CA 0.000 56.518 56.400 0.195 0.000 0.873 157 E CB 0.574 30.338 29.700 0.108 0.000 1.029 157 E HN 0.097 nan 8.360 nan 0.000 0.419 158 D N 2.807 123.417 120.400 0.349 0.000 2.395 158 D HA 0.179 4.819 4.640 -0.000 0.000 0.213 158 D C -0.177 176.351 176.300 0.381 0.000 1.110 158 D CA -0.305 53.921 54.000 0.377 0.000 0.835 158 D CB 0.161 41.183 40.800 0.371 0.000 0.965 158 D HN 0.272 nan 8.370 nan 0.000 0.505 159 A N -0.108 122.894 122.820 0.304 0.000 2.324 159 A HA 0.779 5.099 4.320 -0.000 0.000 0.330 159 A C 0.308 177.996 177.584 0.173 0.000 1.165 159 A CA -0.203 51.912 52.037 0.130 0.000 0.813 159 A CB 1.590 20.635 19.000 0.075 0.000 1.197 159 A HN 0.234 nan 8.150 nan 0.000 0.484 160 G N -0.076 108.660 108.800 -0.106 0.000 2.733 160 G HA2 0.627 4.587 3.960 -0.000 0.000 0.288 160 G HA3 0.627 4.587 3.960 -0.000 0.000 0.288 160 G C -1.436 173.415 174.900 -0.081 0.000 1.373 160 G CA -0.455 44.626 45.100 -0.032 0.000 0.895 160 G HN 0.507 nan 8.290 nan 0.000 0.479 161 I N 0.957 121.485 120.570 -0.069 0.000 2.529 161 I HA 0.336 4.506 4.170 -0.000 0.000 0.284 161 I C -0.831 175.055 176.117 -0.385 0.000 1.088 161 I CA -0.453 60.694 61.300 -0.254 0.000 1.062 161 I CB 1.531 39.330 38.000 -0.334 0.000 1.218 161 I HN 0.333 nan 8.210 nan 0.000 0.442 162 I N 6.216 126.564 120.570 -0.370 0.000 2.354 162 I HA 0.328 4.498 4.170 -0.000 0.000 0.286 162 I C -0.320 175.521 176.117 -0.460 0.000 1.007 162 I CA -0.598 60.491 61.300 -0.351 0.000 1.167 162 I CB 0.935 38.805 38.000 -0.217 0.000 1.320 162 I HN 0.237 nan 8.210 nan 0.000 0.458 163 F N 6.335 126.176 119.950 -0.181 0.000 2.484 163 F HA 0.359 4.886 4.527 -0.000 0.000 0.360 163 F C 0.772 176.343 175.800 -0.382 0.000 1.101 163 F CA -0.188 57.703 58.000 -0.181 0.000 1.251 163 F CB 0.646 39.622 39.000 -0.039 0.000 1.132 163 F HN 0.201 nan 8.300 nan 0.000 0.570 164 V N -0.674 119.116 119.914 -0.207 0.000 3.149 164 V HA 1.052 5.172 4.120 -0.000 0.000 0.310 164 V C 0.319 176.348 176.094 -0.107 0.000 1.353 164 V CA -0.411 61.462 62.300 -0.712 0.000 1.040 164 V CB 0.809 32.092 31.823 -0.901 0.000 1.136 164 V HN 1.251 nan 8.190 nan 0.000 0.477 165 G N 0.343 109.094 108.800 -0.080 0.000 2.464 165 G HA2 0.317 4.277 3.960 -0.000 0.000 0.216 165 G HA3 0.317 4.277 3.960 -0.000 0.000 0.216 165 G C -0.138 175.088 174.900 0.543 0.000 1.186 165 G CA 0.482 45.714 45.100 0.220 0.000 1.010 165 G HN 2.537 nan 8.290 nan 0.000 0.585 166 S N -2.456 113.408 115.700 0.273 0.000 2.638 166 S HA 0.676 5.146 4.470 -0.000 0.000 0.274 166 S C 1.093 175.639 174.600 -0.089 0.000 1.157 166 S CA 0.972 59.361 58.200 0.315 0.000 0.826 166 S CB 1.217 64.574 63.200 0.262 0.000 1.139 166 S HN 2.380 nan 8.310 nan 0.000 0.474 167 T N -1.182 113.398 114.554 0.043 0.000 3.118 167 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 167 T C 0.807 175.454 174.700 -0.088 0.000 1.166 167 T CA 1.606 63.693 62.100 -0.021 0.000 1.073 167 T CB -1.082 67.919 68.868 0.221 0.000 0.884 167 T HN 0.685 nan 8.240 nan 0.000 0.550 168 N N 0.858 119.512 118.700 -0.076 0.000 2.282 168 N HA 0.158 4.898 4.740 -0.000 0.000 0.185 168 N C -0.314 175.116 175.510 -0.133 0.000 1.099 168 N CA -0.310 52.697 53.050 -0.073 0.000 0.878 168 N CB 0.392 38.877 38.487 -0.003 0.000 0.993 168 N HN 0.525 nan 8.380 nan 0.000 0.481 169 R N 0.475 120.862 120.500 -0.190 0.000 3.270 169 R HA 0.261 4.601 4.340 -0.000 0.000 0.299 169 R C -1.752 174.411 176.300 -0.228 0.000 1.188 169 R CA -0.345 55.639 56.100 -0.194 0.000 1.090 169 R CB -0.737 29.504 30.300 -0.099 0.000 1.329 169 R HN -0.069 nan 8.270 nan 0.000 0.381 170 I N 2.653 123.013 120.570 -0.349 0.000 2.441 170 I HA 0.528 4.698 4.170 -0.000 0.000 0.287 170 I C 0.822 176.876 176.117 -0.104 0.000 1.049 170 I CA -0.092 61.019 61.300 -0.315 0.000 1.381 170 I CB 1.437 39.154 38.000 -0.472 0.000 1.409 170 I HN 0.856 nan 8.210 nan 0.000 0.523 171 G N 6.559 115.348 108.800 -0.018 0.000 3.108 171 G HA2 0.866 4.826 3.960 -0.000 0.000 0.268 171 G HA3 0.866 4.826 3.960 -0.000 0.000 0.268 171 G C -0.845 174.068 174.900 0.023 0.000 1.361 171 G CA -0.769 44.324 45.100 -0.011 0.000 1.047 171 G HN 0.604 nan 8.290 nan 0.000 0.540 172 M N -0.848 118.713 119.600 -0.065 0.000 2.569 172 M HA 0.770 5.250 4.480 -0.000 0.000 0.279 172 M C -1.617 174.558 176.300 -0.208 0.000 1.253 172 M CA -1.003 54.188 55.300 -0.181 0.000 0.867 172 M CB 2.478 34.947 32.600 -0.219 0.000 1.727 172 M HN 0.687 nan 8.290 nan 0.000 0.467 173 I N -0.438 119.976 120.570 -0.260 0.000 2.619 173 I HA 0.865 5.035 4.170 -0.000 0.000 0.292 173 I C -0.353 175.686 176.117 -0.130 0.000 1.100 173 I CA -0.756 60.435 61.300 -0.181 0.000 1.043 173 I CB 2.263 40.130 38.000 -0.222 0.000 1.239 173 I HN 0.857 nan 8.210 nan 0.000 0.420 174 G N 5.086 113.844 108.800 -0.070 0.000 2.415 174 G HA2 0.326 4.286 3.960 -0.000 0.000 0.269 174 G HA3 0.326 4.286 3.960 -0.000 0.000 0.269 174 G C -1.592 173.330 174.900 0.036 0.000 1.209 174 G CA -0.452 44.615 45.100 -0.055 0.000 0.835 174 G HN 0.785 nan 8.290 nan 0.000 0.534 175 W N 2.660 123.791 121.300 -0.282 0.000 2.883 175 W HA 0.397 5.057 4.660 -0.000 0.000 0.335 175 W C -1.259 174.952 176.519 -0.514 0.000 1.083 175 W CA -0.959 56.177 57.345 -0.348 0.000 1.233 175 W CB 2.213 31.433 29.460 -0.399 0.000 1.412 175 W HN 0.506 nan 8.180 nan 0.000 0.490 176 N N 4.151 122.380 118.700 -0.786 0.000 2.527 176 N HA 0.213 4.953 4.740 -0.000 0.000 0.236 176 N C 0.303 175.548 175.510 -0.442 0.000 0.999 176 N CA -0.236 52.504 53.050 -0.517 0.000 0.935 176 N CB 0.220 38.491 38.487 -0.361 0.000 1.132 176 N HN 0.276 nan 8.380 nan 0.000 0.511 177 F N 2.467 122.437 119.950 0.033 0.000 2.084 177 F HA 0.101 4.628 4.527 -0.000 0.000 0.296 177 F C 2.039 177.842 175.800 0.004 0.000 1.111 177 F CA 0.681 58.743 58.000 0.103 0.000 1.224 177 F CB -0.311 38.756 39.000 0.112 0.000 0.991 177 F HN 0.638 nan 8.300 nan 0.000 0.471 178 G N 1.174 110.077 108.800 0.172 0.000 2.338 178 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.296 178 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.296 178 G C 0.981 175.902 174.900 0.036 0.000 1.040 178 G CA 0.601 45.755 45.100 0.090 0.000 1.004 178 G HN 0.525 nan 8.290 nan 0.000 0.509 179 Q N -1.002 118.724 119.800 -0.124 0.000 2.369 179 Q HA 0.010 4.350 4.340 -0.000 0.000 0.206 179 Q C 1.585 177.419 176.000 -0.277 0.000 0.963 179 Q CA 1.287 56.944 55.803 -0.243 0.000 0.894 179 Q CB -0.169 28.279 28.738 -0.483 0.000 0.965 179 Q HN 0.639 nan 8.270 nan 0.000 0.475 180 F N 1.414 121.359 119.950 -0.009 0.000 2.727 180 F HA 0.295 4.822 4.527 -0.000 0.000 0.302 180 F C 0.682 176.528 175.800 0.075 0.000 1.097 180 F CA -0.435 57.524 58.000 -0.068 0.000 1.330 180 F CB 0.205 39.091 39.000 -0.190 0.000 1.084 180 F HN -0.128 nan 8.300 nan 0.000 0.578 181 E N 1.070 121.401 120.200 0.217 0.000 2.390 181 E HA 0.011 4.361 4.350 -0.000 0.000 0.261 181 E C 0.095 176.793 176.600 0.162 0.000 1.076 181 E CA -0.301 56.197 56.400 0.163 0.000 0.905 181 E CB 0.471 30.235 29.700 0.107 0.000 0.984 181 E HN 0.034 nan 8.360 nan 0.000 0.427 182 E N 1.107 121.382 120.200 0.125 0.000 2.652 182 E HA -0.147 4.203 4.350 -0.000 0.000 0.255 182 E C -0.096 176.562 176.600 0.097 0.000 0.952 182 E CA 0.812 57.276 56.400 0.107 0.000 0.947 182 E CB -0.020 29.725 29.700 0.075 0.000 0.912 182 E HN 0.475 nan 8.360 nan 0.000 0.489 183 D N 2.263 122.720 120.400 0.095 0.000 2.705 183 D HA -0.242 4.398 4.640 -0.000 0.000 0.187 183 D C 0.962 177.317 176.300 0.091 0.000 1.015 183 D CA 1.241 55.286 54.000 0.075 0.000 1.030 183 D CB -0.778 40.055 40.800 0.055 0.000 1.100 183 D HN 0.427 nan 8.370 nan 0.000 0.439 184 I N 0.207 120.849 120.570 0.120 0.000 2.163 184 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 184 I C 2.559 178.753 176.117 0.128 0.000 1.085 184 I CA 1.127 62.502 61.300 0.125 0.000 1.347 184 I CB -1.059 37.021 38.000 0.133 0.000 1.044 184 I HN 0.272 nan 8.210 nan 0.000 0.408 185 L N 0.629 121.943 121.223 0.151 0.000 2.046 185 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 185 L C 2.797 179.675 176.870 0.013 0.000 1.077 185 L CA 2.172 57.054 54.840 0.071 0.000 0.747 185 L CB -1.008 40.989 42.059 -0.104 0.000 0.896 185 L HN 0.243 nan 8.230 nan 0.000 0.432 186 S N -0.577 115.131 115.700 0.013 0.000 2.370 186 S HA -0.211 4.259 4.470 -0.000 0.000 0.226 186 S C 2.073 176.689 174.600 0.026 0.000 1.033 186 S CA 1.887 60.086 58.200 -0.001 0.000 1.011 186 S CB -0.509 62.692 63.200 0.002 0.000 0.852 186 S HN 0.517 nan 8.310 nan 0.000 0.457 187 I N 0.759 121.369 120.570 0.067 0.000 2.286 187 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 187 I C 2.467 178.664 176.117 0.132 0.000 1.104 187 I CA 0.834 62.208 61.300 0.125 0.000 1.397 187 I CB -0.468 37.633 38.000 0.167 0.000 1.072 187 I HN 0.424 nan 8.210 nan 0.000 0.417 188 C N 0.533 119.887 119.300 0.091 0.000 2.432 188 C HA -0.062 4.398 4.460 -0.000 0.000 0.280 188 C C 2.687 177.708 174.990 0.052 0.000 1.353 188 C CA 0.416 59.475 59.018 0.069 0.000 1.766 188 C CB -0.957 26.826 27.740 0.073 0.000 1.924 188 C HN 0.447 nan 8.230 nan 0.000 0.509 189 L N 1.505 122.747 121.223 0.031 0.000 2.044 189 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 189 L C 2.806 179.670 176.870 -0.011 0.000 1.075 189 L CA 1.898 56.738 54.840 -0.000 0.000 0.747 189 L CB -0.615 41.423 42.059 -0.035 0.000 0.903 189 L HN 0.430 nan 8.230 nan 0.000 0.435 190 S N 0.003 115.706 115.700 0.005 0.000 2.399 190 S HA -0.193 4.277 4.470 -0.000 0.000 0.231 190 S C 1.948 176.572 174.600 0.040 0.000 1.022 190 S CA 0.970 59.165 58.200 -0.008 0.000 0.983 190 S CB -0.812 62.399 63.200 0.018 0.000 0.803 190 S HN 0.346 nan 8.310 nan 0.000 0.480 191 I N 1.617 122.256 120.570 0.115 0.000 2.194 191 I HA -0.221 3.949 4.170 -0.000 0.000 0.246 191 I C 2.283 178.426 176.117 0.044 0.000 1.093 191 I CA 1.478 62.852 61.300 0.124 0.000 1.355 191 I CB -0.466 37.543 38.000 0.015 0.000 1.046 191 I HN 0.326 nan 8.210 nan 0.000 0.413 192 L N -0.111 121.114 121.223 0.004 0.000 2.265 192 L HA -0.201 4.139 4.340 -0.000 0.000 0.215 192 L C 1.360 178.150 176.870 -0.132 0.000 1.117 192 L CA 0.996 55.833 54.840 -0.005 0.000 0.782 192 L CB -0.557 41.517 42.059 0.024 0.000 0.914 192 L HN 0.280 nan 8.230 nan 0.000 0.441 193 D N -0.204 120.016 120.400 -0.300 0.000 2.328 193 D HA 0.016 4.656 4.640 -0.000 0.000 0.226 193 D C 1.578 177.539 176.300 -0.566 0.000 1.066 193 D CA 0.297 53.801 54.000 -0.827 0.000 0.861 193 D CB 0.402 40.798 40.800 -0.674 0.000 0.912 193 D HN 0.251 nan 8.370 nan 0.000 0.521 194 R N 0.132 120.553 120.500 -0.132 0.000 2.521 194 R HA 0.087 4.427 4.340 -0.000 0.000 0.289 194 R C 0.976 177.367 176.300 0.152 0.000 0.936 194 R CA -0.000 56.140 56.100 0.067 0.000 1.089 194 R CB 0.387 30.791 30.300 0.174 0.000 1.348 194 R HN 0.073 nan 8.270 nan 0.000 0.536 195 S N 0.215 115.999 115.700 0.140 0.000 2.587 195 S HA 0.096 4.566 4.470 -0.000 0.000 0.260 195 S C 1.620 176.324 174.600 0.174 0.000 1.353 195 S CA -0.327 57.956 58.200 0.137 0.000 0.995 195 S CB 0.767 64.031 63.200 0.106 0.000 0.912 195 S HN 0.115 nan 8.310 nan 0.000 0.568 196 L N 1.153 122.447 121.223 0.118 0.000 2.093 196 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 196 L C 2.316 179.257 176.870 0.118 0.000 1.085 196 L CA 1.480 56.383 54.840 0.106 0.000 0.755 196 L CB -0.955 41.142 42.059 0.063 0.000 0.904 196 L HN 0.676 nan 8.230 nan 0.000 0.435 197 N N 0.011 118.785 118.700 0.124 0.000 2.149 197 N HA -0.259 4.481 4.740 -0.000 0.000 0.188 197 N C 1.604 177.237 175.510 0.205 0.000 1.019 197 N CA 1.437 54.583 53.050 0.160 0.000 0.857 197 N CB -0.454 38.149 38.487 0.193 0.000 0.997 197 N HN 0.251 nan 8.380 nan 0.000 0.426 198 F N 1.387 121.401 119.950 0.107 0.000 2.206 198 F HA 0.065 4.592 4.527 -0.000 0.000 0.298 198 F C 2.011 177.861 175.800 0.084 0.000 1.090 198 F CA 0.972 59.032 58.000 0.100 0.000 1.323 198 F CB 0.124 39.178 39.000 0.090 0.000 1.028 198 F HN -0.121 nan 8.300 nan 0.000 0.492 199 R N -0.286 120.290 120.500 0.127 0.000 2.148 199 R HA -0.050 4.290 4.340 -0.000 0.000 0.223 199 R C 2.283 178.561 176.300 -0.037 0.000 1.088 199 R CA 1.008 57.126 56.100 0.030 0.000 0.985 199 R CB -0.310 30.062 30.300 0.121 0.000 0.880 199 R HN 0.232 nan 8.270 nan 0.000 0.451 200 R N 0.383 120.880 120.500 -0.005 0.000 2.153 200 R HA -0.072 4.268 4.340 -0.000 0.000 0.218 200 R C -0.388 175.887 176.300 -0.042 0.000 1.072 200 R CA 1.112 57.207 56.100 -0.008 0.000 0.990 200 R CB 0.421 30.736 30.300 0.025 0.000 0.889 200 R HN -0.025 nan 8.270 nan 0.000 0.452 201 D N -1.780 118.571 120.400 -0.082 0.000 2.686 201 D HA 0.085 4.725 4.640 -0.000 0.000 0.229 201 D C 0.085 176.293 176.300 -0.154 0.000 1.391 201 D CA 0.329 54.268 54.000 -0.102 0.000 0.948 201 D CB 0.322 41.095 40.800 -0.046 0.000 1.513 201 D HN 0.069 nan 8.370 nan 0.000 0.522 202 A N 2.342 124.961 122.820 -0.336 0.000 1.892 202 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 202 A C 2.294 179.842 177.584 -0.060 0.000 1.188 202 A CA 2.520 54.226 52.037 -0.552 0.000 0.631 202 A CB -0.633 17.898 19.000 -0.781 0.000 0.822 202 A HN 0.684 nan 8.150 nan 0.000 0.447 203 A N -1.209 121.646 122.820 0.057 0.000 1.849 203 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 203 A C 2.321 179.924 177.584 0.032 0.000 1.202 203 A CA 2.598 54.695 52.037 0.101 0.000 0.629 203 A CB -1.578 17.413 19.000 -0.014 0.000 0.834 203 A HN 0.448 nan 8.150 nan 0.000 0.447 204 T N -0.485 114.062 114.554 -0.013 0.000 2.803 204 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 204 T C 1.593 176.261 174.700 -0.053 0.000 1.052 204 T CA 1.809 63.891 62.100 -0.030 0.000 1.136 204 T CB -0.459 68.393 68.868 -0.027 0.000 0.864 204 T HN 0.714 nan 8.240 nan 0.000 0.467 205 D N 0.674 121.087 120.400 0.022 0.000 2.078 205 D HA -0.092 4.547 4.640 -0.000 0.000 0.193 205 D C 2.120 178.435 176.300 0.026 0.000 0.990 205 D CA 1.012 55.063 54.000 0.086 0.000 0.827 205 D CB -0.341 40.638 40.800 0.299 0.000 0.975 205 D HN 0.129 nan 8.370 nan 0.000 0.451 206 V N 0.952 120.936 119.914 0.116 0.000 2.282 206 V HA -0.293 3.827 4.120 -0.000 0.000 0.249 206 V C 2.596 178.686 176.094 -0.006 0.000 1.057 206 V CA 2.010 64.354 62.300 0.074 0.000 1.032 206 V CB -1.111 30.761 31.823 0.082 0.000 0.645 206 V HN 0.409 nan 8.190 nan 0.000 0.447 207 A N -0.621 122.186 122.820 -0.022 0.000 1.940 207 A HA -0.223 4.096 4.320 -0.000 0.000 0.219 207 A C 2.382 179.908 177.584 -0.098 0.000 1.176 207 A CA 2.311 54.328 52.037 -0.033 0.000 0.631 207 A CB -0.609 18.376 19.000 -0.026 0.000 0.814 207 A HN 0.531 nan 8.150 nan 0.000 0.446 208 S N -0.784 114.762 115.700 -0.257 0.000 2.522 208 S HA 0.001 4.471 4.470 -0.000 0.000 0.227 208 S C 1.480 175.888 174.600 -0.320 0.000 0.986 208 S CA 0.199 58.110 58.200 -0.482 0.000 0.929 208 S CB -0.188 62.263 63.200 -1.249 0.000 0.769 208 S HN 0.576 nan 8.310 nan 0.000 0.529 209 R N 2.628 123.057 120.500 -0.117 0.000 2.366 209 R HA 0.033 4.373 4.340 -0.000 0.000 0.201 209 R C 1.011 177.371 176.300 0.101 0.000 1.057 209 R CA 0.511 56.653 56.100 0.070 0.000 1.086 209 R CB -0.359 29.980 30.300 0.064 0.000 0.914 209 R HN 0.420 nan 8.270 nan 0.000 0.476 210 N N -0.253 118.501 118.700 0.090 0.000 2.214 210 N HA -0.049 4.691 4.740 -0.000 0.000 0.214 210 N C -0.806 174.843 175.510 0.232 0.000 1.132 210 N CA -0.010 53.126 53.050 0.143 0.000 0.856 210 N CB 0.498 39.045 38.487 0.100 0.000 1.020 210 N HN -0.015 nan 8.380 nan 0.000 0.509 211 D N 0.841 121.379 120.400 0.231 0.000 2.593 211 D HA 0.329 4.969 4.640 -0.000 0.000 0.251 211 D C -1.790 174.529 176.300 0.032 0.000 1.140 211 D CA -2.084 52.000 54.000 0.140 0.000 0.855 211 D CB 2.524 43.380 40.800 0.094 0.000 1.267 211 D HN -0.158 nan 8.370 nan 0.000 0.532 212 P HA -0.183 nan 4.420 nan 0.000 0.218 212 P C 0.851 177.634 177.300 -0.861 0.000 1.148 212 P CA 1.076 63.630 63.100 -0.911 0.000 0.822 212 P CB 0.515 31.309 31.700 -1.511 0.000 0.784 213 K N -1.052 119.004 120.400 -0.574 0.000 2.026 213 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 213 K C 2.464 179.020 176.600 -0.073 0.000 1.048 213 K CA 1.412 57.595 56.287 -0.174 0.000 0.929 213 K CB -0.742 31.811 32.500 0.089 0.000 0.713 213 K HN 0.115 nan 8.250 nan 0.000 0.439 214 Y N 1.606 121.839 120.300 -0.111 0.000 2.109 214 Y HA -0.269 4.281 4.550 -0.000 0.000 0.285 214 Y C 2.095 177.964 175.900 -0.052 0.000 1.131 214 Y CA 1.309 59.370 58.100 -0.064 0.000 1.121 214 Y CB -0.336 38.123 38.460 -0.002 0.000 0.987 214 Y HN -0.248 nan 8.280 nan 0.000 0.495 215 V N 0.332 120.344 119.914 0.163 0.000 2.282 215 V HA -0.343 3.777 4.120 -0.000 0.000 0.249 215 V C 2.605 178.683 176.094 -0.026 0.000 1.057 215 V CA 2.019 64.387 62.300 0.112 0.000 1.032 215 V CB -1.744 30.221 31.823 0.237 0.000 0.645 215 V HN 0.662 nan 8.190 nan 0.000 0.447 216 G N -0.489 108.267 108.800 -0.073 0.000 2.459 216 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.217 216 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.217 216 G C 1.725 176.588 174.900 -0.063 0.000 1.183 216 G CA 1.075 46.163 45.100 -0.020 0.000 0.776 216 G HN 0.449 nan 8.290 nan 0.000 0.552 217 R N -0.219 120.186 120.500 -0.159 0.000 2.096 217 R HA -0.023 4.317 4.340 -0.000 0.000 0.235 217 R C 2.658 178.812 176.300 -0.244 0.000 1.127 217 R CA 1.301 57.255 56.100 -0.243 0.000 0.968 217 R CB -0.265 29.782 30.300 -0.421 0.000 0.861 217 R HN 0.286 nan 8.270 nan 0.000 0.440 218 V N 1.174 120.908 119.914 -0.300 0.000 2.307 218 V HA -0.249 3.870 4.120 -0.000 0.000 0.245 218 V C 2.369 178.391 176.094 -0.120 0.000 1.045 218 V CA 1.676 63.824 62.300 -0.254 0.000 1.024 218 V CB -0.468 31.177 31.823 -0.297 0.000 0.651 218 V HN 0.339 nan 8.190 nan 0.000 0.449 219 L N 1.151 122.327 121.223 -0.077 0.000 2.079 219 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 219 L C 2.635 179.487 176.870 -0.031 0.000 1.081 219 L CA 1.962 56.781 54.840 -0.036 0.000 0.752 219 L CB -0.705 41.355 42.059 0.002 0.000 0.896 219 L HN 0.593 nan 8.230 nan 0.000 0.433 220 S N -0.770 114.909 115.700 -0.035 0.000 2.584 220 S HA -0.048 4.422 4.470 -0.000 0.000 0.240 220 S C 1.578 176.159 174.600 -0.031 0.000 0.975 220 S CA 0.783 58.970 58.200 -0.022 0.000 0.949 220 S CB -0.010 63.172 63.200 -0.029 0.000 0.761 220 S HN 0.393 nan 8.310 nan 0.000 0.536 221 A N 0.799 123.595 122.820 -0.040 0.000 1.999 221 A HA 0.502 4.822 4.320 -0.000 0.000 0.200 221 A C 1.928 179.506 177.584 -0.009 0.000 1.363 221 A CA 0.102 52.129 52.037 -0.016 0.000 0.844 221 A CB -0.192 18.790 19.000 -0.030 0.000 0.954 221 A HN 0.460 nan 8.150 nan 0.000 0.481 222 M N 0.467 120.046 119.600 -0.034 0.000 2.619 222 M HA 0.133 4.613 4.480 -0.000 0.000 0.251 222 M C 1.137 177.356 176.300 -0.135 0.000 1.106 222 M CA 0.669 55.931 55.300 -0.062 0.000 1.086 222 M CB -0.583 31.978 32.600 -0.064 0.000 1.465 222 M HN 0.263 nan 8.290 nan 0.000 0.506 223 I N 0.389 120.916 120.570 -0.072 0.000 3.226 223 I HA -0.075 4.095 4.170 -0.000 0.000 0.277 223 I C 0.496 176.652 176.117 0.066 0.000 1.243 223 I CA 0.414 61.680 61.300 -0.056 0.000 1.459 223 I CB -1.136 36.886 38.000 0.038 0.000 1.093 223 I HN 0.313 nan 8.210 nan 0.000 0.453 224 N N -0.697 118.058 118.700 0.091 0.000 2.417 224 N HA 0.086 4.826 4.740 -0.000 0.000 0.300 224 N C 0.873 176.436 175.510 0.088 0.000 1.102 224 N CA -0.057 53.109 53.050 0.194 0.000 0.886 224 N CB 0.935 39.431 38.487 0.014 0.000 1.203 224 N HN -0.073 nan 8.380 nan 0.000 0.496 225 S N 0.811 116.580 115.700 0.116 0.000 2.447 225 S HA -0.105 4.364 4.470 -0.000 0.000 0.233 225 S C 0.372 175.036 174.600 0.106 0.000 1.006 225 S CA -0.125 58.138 58.200 0.105 0.000 0.957 225 S CB -0.793 62.478 63.200 0.118 0.000 0.773 225 S HN 0.626 nan 8.310 nan 0.000 0.507 226 N N 2.689 121.440 118.700 0.084 0.000 2.353 226 N HA -0.039 4.701 4.740 -0.000 0.000 0.248 226 N C 0.033 175.638 175.510 0.158 0.000 1.240 226 N CA 1.179 54.294 53.050 0.110 0.000 0.862 226 N CB 0.136 38.647 38.487 0.040 0.000 1.086 226 N HN 0.339 nan 8.380 nan 0.000 0.453 227 D N 0.071 120.575 120.400 0.173 0.000 2.550 227 D HA -0.248 4.392 4.640 -0.000 0.000 0.169 227 D C 0.158 176.524 176.300 0.109 0.000 1.466 227 D CA 2.278 56.360 54.000 0.137 0.000 1.315 227 D CB -0.802 40.079 40.800 0.135 0.000 1.201 227 D HN 0.830 nan 8.370 nan 0.000 0.420 228 D N -1.017 119.452 120.400 0.114 0.000 2.562 228 D HA 0.211 4.851 4.640 -0.000 0.000 0.246 228 D C -0.018 176.370 176.300 0.147 0.000 1.347 228 D CA -0.017 54.053 54.000 0.117 0.000 0.800 228 D CB -0.765 40.097 40.800 0.105 0.000 1.111 228 D HN 0.356 nan 8.370 nan 0.000 0.508 229 N N -0.189 118.603 118.700 0.154 0.000 2.776 229 N HA -0.122 4.618 4.740 -0.000 0.000 0.249 229 N C 0.736 176.426 175.510 0.300 0.000 1.111 229 N CA 0.105 53.280 53.050 0.208 0.000 0.711 229 N CB -0.841 37.761 38.487 0.193 0.000 1.065 229 N HN 0.482 nan 8.380 nan 0.000 0.556 230 G N -0.365 108.534 108.800 0.166 0.000 2.590 230 G HA2 0.223 4.183 3.960 -0.000 0.000 0.276 230 G HA3 0.223 4.183 3.960 -0.000 0.000 0.276 230 G C 1.263 176.069 174.900 -0.158 0.000 1.337 230 G CA 0.108 45.215 45.100 0.011 0.000 1.030 230 G HN 0.067 nan 8.290 nan 0.000 0.534 231 V N -0.230 119.323 119.914 -0.602 0.000 2.229 231 V HA 0.018 4.138 4.120 -0.000 0.000 0.243 231 V C 1.377 177.292 176.094 -0.298 0.000 1.042 231 V CA 1.195 62.982 62.300 -0.855 0.000 1.000 231 V CB -0.887 30.431 31.823 -0.842 0.000 0.637 231 V HN 0.303 nan 8.190 nan 0.000 0.446 232 L N 0.379 121.489 121.223 -0.187 0.000 2.307 232 L HA 0.667 5.007 4.340 -0.000 0.000 0.282 232 L C -0.096 176.810 176.870 0.060 0.000 1.051 232 L CA -0.329 54.413 54.840 -0.164 0.000 0.804 232 L CB 1.316 43.051 42.059 -0.540 0.000 1.197 232 L HN 0.233 nan 8.230 nan 0.000 0.431 233 A N 2.416 125.252 122.820 0.026 0.000 2.271 233 A HA 0.698 5.018 4.320 -0.000 0.000 0.317 233 A C 0.272 178.013 177.584 0.262 0.000 1.245 233 A CA -0.292 51.849 52.037 0.173 0.000 0.857 233 A CB 0.824 19.897 19.000 0.123 0.000 1.175 233 A HN 0.768 nan 8.150 nan 0.000 0.512 234 G N 0.634 109.636 108.800 0.336 0.000 2.588 234 G HA2 0.492 4.452 3.960 -0.000 0.000 0.281 234 G HA3 0.492 4.452 3.960 -0.000 0.000 0.281 234 G C -0.243 174.654 174.900 -0.006 0.000 1.236 234 G CA -0.569 44.608 45.100 0.128 0.000 0.969 234 G HN 0.958 nan 8.290 nan 0.000 0.504 235 N N -1.340 117.098 118.700 -0.436 0.000 3.343 235 N HA 0.034 4.773 4.740 -0.000 0.000 0.225 235 N C -0.933 174.405 175.510 -0.285 0.000 1.096 235 N CA -0.659 52.249 53.050 -0.238 0.000 1.040 235 N CB 0.889 39.164 38.487 -0.353 0.000 1.611 235 N HN 0.576 nan 8.380 nan 0.000 0.689 236 W N 2.619 123.960 121.300 0.069 0.000 2.599 236 W HA 0.142 4.802 4.660 -0.000 0.000 0.396 236 W C 1.505 178.020 176.519 -0.007 0.000 0.944 236 W CA -0.169 57.194 57.345 0.031 0.000 2.042 236 W CB 0.622 29.977 29.460 -0.175 0.000 1.184 236 W HN 0.592 nan 8.180 nan 0.000 0.604 237 S N -0.690 115.061 115.700 0.085 0.000 2.496 237 S HA 0.182 4.652 4.470 -0.000 0.000 0.224 237 S C 1.824 176.343 174.600 -0.135 0.000 0.996 237 S CA 1.104 59.276 58.200 -0.046 0.000 0.927 237 S CB 0.150 63.269 63.200 -0.136 0.000 0.774 237 S HN 0.358 nan 8.310 nan 0.000 0.524 238 G N 0.020 108.674 108.800 -0.244 0.000 2.199 238 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.254 238 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.254 238 G C 0.171 174.661 174.900 -0.683 0.000 0.982 238 G CA 0.350 45.311 45.100 -0.232 0.000 0.632 238 G HN 0.697 nan 8.290 nan 0.000 0.529 239 T N 0.278 114.248 114.554 -0.974 0.000 2.815 239 T HA 0.577 4.927 4.350 -0.000 0.000 0.289 239 T C -0.117 173.987 174.700 -0.993 0.000 1.000 239 T CA -0.305 61.360 62.100 -0.725 0.000 0.958 239 T CB 0.963 69.631 68.868 -0.333 0.000 0.944 239 T HN 0.250 nan 8.240 nan 0.000 0.442 240 Y N 0.868 121.137 120.300 -0.051 0.000 2.660 240 Y HA 0.187 4.737 4.550 -0.000 0.000 0.254 240 Y C 1.739 177.701 175.900 0.103 0.000 1.176 240 Y CA -1.020 57.060 58.100 -0.033 0.000 1.195 240 Y CB -0.124 38.352 38.460 0.027 0.000 1.190 240 Y HN 0.595 nan 8.280 nan 0.000 0.535 241 T N -1.641 112.971 114.554 0.098 0.000 2.946 241 T HA 0.320 4.670 4.350 -0.000 0.000 0.312 241 T C 1.465 176.276 174.700 0.186 0.000 1.066 241 T CA 0.846 63.011 62.100 0.109 0.000 1.138 241 T CB 1.070 69.963 68.868 0.042 0.000 1.014 241 T HN 0.786 nan 8.240 nan 0.000 0.544 242 G N 1.610 110.501 108.800 0.152 0.000 2.279 242 G HA2 0.048 4.008 3.960 -0.000 0.000 0.223 242 G HA3 0.048 4.008 3.960 -0.000 0.000 0.223 242 G C 0.407 175.382 174.900 0.124 0.000 1.015 242 G CA 0.023 45.211 45.100 0.147 0.000 0.621 242 G HN 1.509 nan 8.290 nan 0.000 0.506 243 G N -0.797 108.140 108.800 0.228 0.000 3.183 243 G HA2 0.679 4.639 3.960 -0.000 0.000 0.247 243 G HA3 0.679 4.639 3.960 -0.000 0.000 0.247 243 G C -0.884 174.092 174.900 0.126 0.000 1.211 243 G CA -0.670 44.486 45.100 0.093 0.000 0.835 243 G HN 0.420 nan 8.290 nan 0.000 0.604 244 R N 0.581 121.131 120.500 0.083 0.000 2.562 244 R HA 0.276 4.616 4.340 -0.000 0.000 0.298 244 R C -1.226 175.000 176.300 -0.124 0.000 0.961 244 R CA -0.765 55.255 56.100 -0.134 0.000 0.881 244 R CB 2.049 32.004 30.300 -0.575 0.000 1.159 244 R HN 0.549 nan 8.270 nan 0.000 0.450 245 D N 4.228 124.517 120.400 -0.186 0.000 2.502 245 D HA -0.036 4.604 4.640 -0.000 0.000 0.249 245 D C -1.493 174.600 176.300 -0.345 0.000 1.188 245 D CA -1.163 52.619 54.000 -0.364 0.000 0.890 245 D CB 1.138 41.833 40.800 -0.176 0.000 1.140 245 D HN 0.198 nan 8.370 nan 0.000 0.505 246 P HA -0.169 nan 4.420 nan 0.000 0.218 246 P C 1.061 178.526 177.300 0.274 0.000 1.147 246 P CA 1.179 64.228 63.100 -0.084 0.000 0.827 246 P CB 0.169 31.637 31.700 -0.387 0.000 0.778 247 R N -0.914 119.739 120.500 0.255 0.000 2.299 247 R HA 0.045 4.385 4.340 -0.000 0.000 0.197 247 R C 2.097 178.535 176.300 0.231 0.000 0.971 247 R CA 1.076 57.442 56.100 0.444 0.000 1.030 247 R CB -0.274 30.186 30.300 0.266 0.000 0.932 247 R HN 0.324 nan 8.270 nan 0.000 0.477 248 S N -0.721 114.985 115.700 0.011 0.000 2.470 248 S HA -0.042 4.427 4.470 -0.000 0.000 0.225 248 S C 0.486 175.034 174.600 -0.086 0.000 1.006 248 S CA -0.406 57.727 58.200 -0.113 0.000 0.934 248 S CB -0.190 62.835 63.200 -0.291 0.000 0.778 248 S HN 0.196 nan 8.310 nan 0.000 0.517 249 W N 2.054 123.418 121.300 0.106 0.000 2.124 249 W HA 0.297 4.957 4.660 -0.000 0.000 0.356 249 W C 0.971 177.458 176.519 -0.055 0.000 1.302 249 W CA -0.214 57.148 57.345 0.028 0.000 1.293 249 W CB 0.299 29.848 29.460 0.148 0.000 1.199 249 W HN 0.131 nan 8.180 nan 0.000 0.606 250 D N -0.494 119.839 120.400 -0.112 0.000 2.486 250 D HA 0.235 4.875 4.640 -0.000 0.000 0.243 250 D C 0.458 176.118 176.300 -1.067 0.000 1.146 250 D CA 0.315 54.101 54.000 -0.357 0.000 0.821 250 D CB 1.031 41.710 40.800 -0.201 0.000 1.201 250 D HN 0.431 nan 8.370 nan 0.000 0.525 251 G N -0.224 107.687 108.800 -1.482 0.000 2.495 251 G HA2 0.301 4.261 3.960 -0.000 0.000 0.294 251 G HA3 0.301 4.261 3.960 -0.000 0.000 0.294 251 G C -0.069 174.267 174.900 -0.939 0.000 1.397 251 G CA -0.161 43.840 45.100 -1.831 0.000 0.790 251 G HN -0.116 nan 8.290 nan 0.000 0.486 252 S N -0.629 114.873 115.700 -0.329 0.000 2.605 252 S HA 0.173 4.643 4.470 -0.000 0.000 0.217 252 S C 1.754 176.333 174.600 -0.036 0.000 0.958 252 S CA 0.563 58.780 58.200 0.030 0.000 0.919 252 S CB 0.611 64.000 63.200 0.315 0.000 0.780 252 S HN 0.412 nan 8.310 nan 0.000 0.507 253 V N 2.140 122.005 119.914 -0.081 0.000 2.255 253 V HA -0.114 4.006 4.120 -0.000 0.000 0.243 253 V C 2.767 178.854 176.094 -0.011 0.000 1.038 253 V CA 1.879 64.165 62.300 -0.023 0.000 1.008 253 V CB -0.612 31.195 31.823 -0.027 0.000 0.645 253 V HN 0.518 nan 8.190 nan 0.000 0.449 254 E N -0.046 120.144 120.200 -0.017 0.000 2.070 254 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 254 E C 2.199 178.815 176.600 0.026 0.000 1.004 254 E CA 1.948 58.378 56.400 0.049 0.000 0.805 254 E CB -0.182 29.607 29.700 0.147 0.000 0.744 254 E HN 0.578 nan 8.360 nan 0.000 0.451 255 I N 0.778 121.273 120.570 -0.125 0.000 2.127 255 I HA -0.343 3.827 4.170 -0.000 0.000 0.241 255 I C 2.510 178.588 176.117 -0.065 0.000 1.075 255 I CA 1.123 62.260 61.300 -0.271 0.000 1.334 255 I CB -0.300 37.385 38.000 -0.524 0.000 1.040 255 I HN 0.188 nan 8.210 nan 0.000 0.405 256 L N 0.239 121.452 121.223 -0.015 0.000 2.027 256 L HA -0.207 4.133 4.340 -0.000 0.000 0.206 256 L C 2.614 179.593 176.870 0.182 0.000 1.074 256 L CA 1.481 56.379 54.840 0.096 0.000 0.745 256 L CB -0.572 41.532 42.059 0.074 0.000 0.898 256 L HN 0.177 nan 8.230 nan 0.000 0.433 257 K N -0.140 120.324 120.400 0.106 0.000 2.057 257 K HA -0.158 4.161 4.320 -0.000 0.000 0.207 257 K C 1.912 178.566 176.600 0.091 0.000 1.049 257 K CA 1.421 57.763 56.287 0.091 0.000 0.931 257 K CB -0.191 32.345 32.500 0.060 0.000 0.714 257 K HN 0.210 nan 8.250 nan 0.000 0.440 258 N N 0.107 118.867 118.700 0.100 0.000 2.166 258 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 258 N C 1.196 176.781 175.510 0.125 0.000 1.019 258 N CA 0.850 53.960 53.050 0.100 0.000 0.856 258 N CB -0.242 38.319 38.487 0.124 0.000 0.993 258 N HN 0.297 nan 8.380 nan 0.000 0.426 259 W N 2.278 123.557 121.300 -0.035 0.000 2.355 259 W HA -0.096 4.564 4.660 -0.000 0.000 0.309 259 W C 2.325 178.831 176.519 -0.022 0.000 1.206 259 W CA 1.534 58.859 57.345 -0.035 0.000 1.284 259 W CB -0.391 29.042 29.460 -0.045 0.000 1.145 259 W HN -0.036 nan 8.180 nan 0.000 0.502 260 K N 0.798 121.163 120.400 -0.058 0.000 2.026 260 K HA -0.259 4.061 4.320 -0.000 0.000 0.208 260 K C 2.254 178.734 176.600 -0.199 0.000 1.048 260 K CA 1.944 58.079 56.287 -0.253 0.000 0.929 260 K CB -0.552 31.909 32.500 -0.065 0.000 0.713 260 K HN 0.084 nan 8.250 nan 0.000 0.439 261 K N 0.681 121.029 120.400 -0.086 0.000 2.103 261 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 261 K C 1.554 178.104 176.600 -0.083 0.000 1.048 261 K CA 1.799 58.047 56.287 -0.064 0.000 0.930 261 K CB -0.152 32.338 32.500 -0.017 0.000 0.716 261 K HN 0.279 nan 8.250 nan 0.000 0.444 262 S N -0.551 115.092 115.700 -0.094 0.000 2.803 262 S HA 0.139 4.609 4.470 -0.000 0.000 0.228 262 S C 0.811 175.323 174.600 -0.146 0.000 0.953 262 S CA 0.193 58.341 58.200 -0.087 0.000 0.983 262 S CB -0.017 63.156 63.200 -0.046 0.000 0.784 262 S HN 0.487 nan 8.310 nan 0.000 0.498 263 G N 1.765 110.444 108.800 -0.203 0.000 2.305 263 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.287 263 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.287 263 G C 0.393 175.094 174.900 -0.331 0.000 1.036 263 G CA 0.062 45.020 45.100 -0.236 0.000 0.887 263 G HN 1.306 nan 8.290 nan 0.000 0.505 264 L N -2.470 118.399 121.223 -0.590 0.000 3.938 264 L HA -0.171 4.168 4.340 -0.000 0.000 0.405 264 L C 0.699 177.427 176.870 -0.236 0.000 1.202 264 L CA 0.552 54.900 54.840 -0.821 0.000 0.920 264 L CB -2.332 39.366 42.059 -0.602 0.000 2.054 264 L HN 0.427 nan 8.230 nan 0.000 0.815 265 S N -0.197 115.433 115.700 -0.117 0.000 2.554 265 S HA 0.507 4.977 4.470 -0.000 0.000 0.278 265 S C -1.963 172.745 174.600 0.180 0.000 1.242 265 S CA -1.024 57.202 58.200 0.043 0.000 1.051 265 S CB 1.353 64.556 63.200 0.006 0.000 0.986 265 S HN -0.001 nan 8.310 nan 0.000 0.502 266 P HA 0.021 nan 4.420 nan 0.000 0.261 266 P C -0.931 176.405 177.300 0.060 0.000 1.183 266 P CA 0.014 63.200 63.100 0.143 0.000 0.761 266 P CB 0.208 31.962 31.700 0.090 0.000 0.785 267 V N 6.207 126.148 119.914 0.045 0.000 2.455 267 V HA 0.163 4.283 4.120 -0.000 0.000 0.273 267 V C 0.912 176.929 176.094 -0.128 0.000 1.045 267 V CA 0.072 62.362 62.300 -0.017 0.000 0.976 267 V CB 0.172 31.958 31.823 -0.062 0.000 0.993 267 V HN 0.443 nan 8.190 nan 0.000 0.475 268 R N 4.514 124.883 120.500 -0.219 0.000 2.295 268 R HA 0.663 5.003 4.340 -0.000 0.000 0.324 268 R C -1.456 174.786 176.300 -0.097 0.000 0.968 268 R CA -0.411 55.286 56.100 -0.672 0.000 0.837 268 R CB 1.393 30.843 30.300 -1.417 0.000 1.133 268 R HN 0.633 nan 8.270 nan 0.000 0.450 269 Y N -0.273 120.179 120.300 0.254 0.000 2.669 269 Y HA 0.716 5.266 4.550 -0.000 0.000 0.335 269 Y C 0.572 176.475 175.900 0.005 0.000 1.116 269 Y CA -0.829 57.318 58.100 0.079 0.000 1.081 269 Y CB 2.702 41.192 38.460 0.050 0.000 1.297 269 Y HN 0.686 nan 8.280 nan 0.000 0.484 270 G N 0.203 108.937 108.800 -0.110 0.000 2.672 270 G HA2 0.674 4.634 3.960 -0.000 0.000 0.292 270 G HA3 0.674 4.634 3.960 -0.000 0.000 0.292 270 G C -1.819 172.678 174.900 -0.671 0.000 1.375 270 G CA -0.672 44.125 45.100 -0.505 0.000 0.890 270 G HN 0.457 nan 8.290 nan 0.000 0.476 271 Q N -1.357 117.957 119.800 -0.809 0.000 2.873 271 Q HA 0.298 4.638 4.340 -0.000 0.000 0.297 271 Q C 1.819 177.811 176.000 -0.012 0.000 1.064 271 Q CA -0.458 55.022 55.803 -0.538 0.000 0.816 271 Q CB 2.000 30.320 28.738 -0.697 0.000 1.481 271 Q HN 0.827 nan 8.270 nan 0.000 0.488 272 C N -0.851 118.860 119.300 0.685 0.000 2.403 272 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 272 C C 2.055 177.262 174.990 0.362 0.000 1.248 272 C CA 1.203 60.678 59.018 0.761 0.000 1.762 272 C CB -1.628 26.776 27.740 1.108 0.000 2.014 272 C HN 0.970 nan 8.230 nan 0.000 0.486 273 W N 1.750 123.160 121.300 0.184 0.000 2.467 273 W HA 0.227 4.887 4.660 -0.000 0.000 0.275 273 W C 1.774 178.042 176.519 -0.418 0.000 1.239 273 W CA 0.957 58.229 57.345 -0.121 0.000 1.266 273 W CB -1.056 28.305 29.460 -0.165 0.000 1.112 273 W HN 0.157 nan 8.180 nan 0.000 0.576 274 V N 1.228 120.565 119.914 -0.962 0.000 2.323 274 V HA -0.269 3.851 4.120 -0.000 0.000 0.244 274 V C 2.230 177.992 176.094 -0.554 0.000 1.041 274 V CA 1.830 63.575 62.300 -0.925 0.000 1.025 274 V CB -1.192 30.067 31.823 -0.939 0.000 0.656 274 V HN 0.095 nan 8.190 nan 0.000 0.451 275 F N 1.084 120.866 119.950 -0.279 0.000 2.126 275 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 275 F C 2.493 178.236 175.800 -0.095 0.000 1.096 275 F CA 1.556 59.478 58.000 -0.130 0.000 1.255 275 F CB -1.058 37.936 39.000 -0.010 0.000 0.997 275 F HN 0.081 nan 8.300 nan 0.000 0.479 276 A N 0.307 123.186 122.820 0.099 0.000 1.858 276 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 276 A C 2.587 180.161 177.584 -0.017 0.000 1.190 276 A CA 1.891 53.958 52.037 0.050 0.000 0.617 276 A CB -1.626 17.390 19.000 0.028 0.000 0.827 276 A HN 0.403 nan 8.150 nan 0.000 0.443 277 G N -1.194 107.454 108.800 -0.253 0.000 2.418 277 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 277 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 277 G C 1.562 176.624 174.900 0.269 0.000 1.158 277 G CA 1.690 46.663 45.100 -0.211 0.000 0.771 277 G HN 0.449 nan 8.290 nan 0.000 0.545 278 T N 0.953 115.590 114.554 0.137 0.000 2.821 278 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 278 T C 2.198 176.962 174.700 0.106 0.000 1.046 278 T CA 1.116 63.305 62.100 0.150 0.000 1.139 278 T CB -0.148 68.711 68.868 -0.015 0.000 0.871 278 T HN 0.145 nan 8.240 nan 0.000 0.454 279 L N 1.897 123.171 121.223 0.086 0.000 2.156 279 L HA 0.131 4.471 4.340 -0.000 0.000 0.208 279 L C 2.068 178.984 176.870 0.077 0.000 1.095 279 L CA 1.417 56.303 54.840 0.076 0.000 0.770 279 L CB -0.784 41.330 42.059 0.091 0.000 0.914 279 L HN 0.172 nan 8.230 nan 0.000 0.439 280 N N -1.087 117.662 118.700 0.081 0.000 2.166 280 N HA -0.183 4.557 4.740 -0.000 0.000 0.186 280 N C 1.438 176.909 175.510 -0.065 0.000 1.019 280 N CA 1.859 54.898 53.050 -0.018 0.000 0.856 280 N CB 0.120 38.559 38.487 -0.080 0.000 0.993 280 N HN 0.425 nan 8.380 nan 0.000 0.426 281 T N 0.707 115.306 114.554 0.074 0.000 2.821 281 T HA 0.027 4.377 4.350 -0.000 0.000 0.267 281 T C 1.983 176.718 174.700 0.058 0.000 1.046 281 T CA 1.109 63.258 62.100 0.081 0.000 1.139 281 T CB -0.319 68.670 68.868 0.203 0.000 0.871 281 T HN 0.388 nan 8.240 nan 0.000 0.454 282 A N 1.483 124.345 122.820 0.070 0.000 1.883 282 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 282 A C 2.289 179.929 177.584 0.094 0.000 1.186 282 A CA 1.342 53.421 52.037 0.071 0.000 0.624 282 A CB -0.897 18.133 19.000 0.050 0.000 0.822 282 A HN 0.461 nan 8.150 nan 0.000 0.444 283 L N -1.221 120.054 121.223 0.087 0.000 1.988 283 L HA -0.183 4.156 4.340 -0.000 0.000 0.207 283 L C 2.887 179.837 176.870 0.132 0.000 1.071 283 L CA 1.635 56.547 54.840 0.119 0.000 0.744 283 L CB -0.592 41.538 42.059 0.119 0.000 0.893 283 L HN 0.331 nan 8.230 nan 0.000 0.433 284 R N 0.140 120.678 120.500 0.062 0.000 2.105 284 R HA -0.170 4.170 4.340 -0.000 0.000 0.239 284 R C 2.603 178.977 176.300 0.123 0.000 1.135 284 R CA 1.745 57.879 56.100 0.057 0.000 0.967 284 R CB -0.612 29.634 30.300 -0.089 0.000 0.861 284 R HN 0.523 nan 8.270 nan 0.000 0.442 285 S N 0.994 116.764 115.700 0.116 0.000 2.382 285 S HA -0.089 4.381 4.470 -0.000 0.000 0.228 285 S C 1.943 176.729 174.600 0.310 0.000 1.027 285 S CA 0.946 59.303 58.200 0.261 0.000 0.991 285 S CB -0.295 63.028 63.200 0.205 0.000 0.823 285 S HN 0.265 nan 8.310 nan 0.000 0.469 286 L N 0.859 122.232 121.223 0.251 0.000 2.554 286 L HA 0.289 4.629 4.340 -0.000 0.000 0.226 286 L C 1.883 179.012 176.870 0.431 0.000 1.137 286 L CA 0.460 55.474 54.840 0.289 0.000 0.863 286 L CB -0.512 41.733 42.059 0.310 0.000 0.985 286 L HN 0.667 nan 8.230 nan 0.000 0.451 287 G N 0.634 109.676 108.800 0.402 0.000 2.144 287 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 287 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 287 G C 0.128 175.255 174.900 0.378 0.000 0.988 287 G CA -0.471 44.900 45.100 0.451 0.000 0.659 287 G HN 0.238 nan 8.290 nan 0.000 0.522 288 I N 2.011 122.740 120.570 0.265 0.000 2.297 288 I HA 0.259 4.429 4.170 -0.000 0.000 0.291 288 I C -2.041 174.199 176.117 0.206 0.000 1.033 288 I CA -2.306 59.084 61.300 0.150 0.000 1.253 288 I CB 1.463 39.497 38.000 0.057 0.000 1.396 288 I HN -0.154 nan 8.210 nan 0.000 0.476 289 P HA -0.008 nan 4.420 nan 0.000 0.262 289 P C -0.832 176.631 177.300 0.273 0.000 1.182 289 P CA 0.318 63.530 63.100 0.187 0.000 0.761 289 P CB 0.500 32.229 31.700 0.048 0.000 0.795 290 S N 2.376 118.226 115.700 0.250 0.000 2.537 290 S HA 0.762 5.232 4.470 -0.000 0.000 0.271 290 S C -1.020 173.631 174.600 0.084 0.000 1.148 290 S CA -1.162 57.166 58.200 0.214 0.000 0.868 290 S CB 2.113 65.406 63.200 0.156 0.000 1.115 290 S HN 0.562 nan 8.310 nan 0.000 0.461 291 R N 0.070 120.525 120.500 -0.074 0.000 2.837 291 R HA 0.846 5.186 4.340 -0.000 0.000 0.271 291 R C -1.536 174.714 176.300 -0.085 0.000 0.993 291 R CA -1.115 54.942 56.100 -0.072 0.000 0.931 291 R CB 1.225 31.412 30.300 -0.188 0.000 1.206 291 R HN 0.419 nan 8.270 nan 0.000 0.474 292 V N 2.646 122.552 119.914 -0.013 0.000 2.509 292 V HA 0.355 4.475 4.120 -0.000 0.000 0.284 292 V C 0.223 176.250 176.094 -0.112 0.000 1.047 292 V CA -0.682 61.599 62.300 -0.030 0.000 0.952 292 V CB 1.263 33.107 31.823 0.036 0.000 0.988 292 V HN 0.546 nan 8.190 nan 0.000 0.469 293 I N 3.038 123.458 120.570 -0.251 0.000 2.603 293 I HA 0.555 4.725 4.170 -0.000 0.000 0.300 293 I C 0.074 175.809 176.117 -0.638 0.000 1.017 293 I CA -0.245 60.793 61.300 -0.436 0.000 1.098 293 I CB 2.053 39.697 38.000 -0.593 0.000 1.279 293 I HN 0.568 nan 8.210 nan 0.000 0.437 294 T N 4.019 118.240 114.554 -0.554 0.000 2.881 294 T HA 0.285 4.635 4.350 -0.000 0.000 0.291 294 T C -0.403 173.901 174.700 -0.660 0.000 0.990 294 T CA -0.608 61.128 62.100 -0.606 0.000 0.976 294 T CB 1.271 69.866 68.868 -0.454 0.000 0.970 294 T HN 0.492 nan 8.240 nan 0.000 0.438 295 N N 2.233 120.494 118.700 -0.732 0.000 2.417 295 N HA 0.501 5.241 4.740 -0.000 0.000 0.274 295 N C -1.359 173.992 175.510 -0.264 0.000 0.987 295 N CA -0.685 52.091 53.050 -0.457 0.000 0.912 295 N CB 0.387 38.589 38.487 -0.476 0.000 1.177 295 N HN 0.354 nan 8.380 nan 0.000 0.490 296 F N 2.396 122.405 119.950 0.098 0.000 2.394 296 F HA 0.329 4.856 4.527 -0.000 0.000 0.340 296 F C 0.693 176.604 175.800 0.186 0.000 1.105 296 F CA -0.503 57.628 58.000 0.219 0.000 1.124 296 F CB 0.735 39.876 39.000 0.235 0.000 1.145 296 F HN 0.464 nan 8.300 nan 0.000 0.505 297 N N 1.071 120.004 118.700 0.389 0.000 2.725 297 N HA -0.217 4.523 4.740 -0.000 0.000 0.256 297 N C -0.653 174.970 175.510 0.188 0.000 1.087 297 N CA 0.344 53.557 53.050 0.271 0.000 0.690 297 N CB -1.171 37.449 38.487 0.221 0.000 0.891 297 N HN 0.433 nan 8.380 nan 0.000 0.553 298 S N -0.459 115.358 115.700 0.195 0.000 2.452 298 S HA 0.728 5.198 4.470 -0.000 0.000 0.284 298 S C 0.282 174.881 174.600 -0.002 0.000 1.171 298 S CA -0.104 58.152 58.200 0.094 0.000 1.064 298 S CB 0.613 63.894 63.200 0.135 0.000 0.967 298 S HN 0.492 nan 8.310 nan 0.000 0.484 299 A N 4.060 126.855 122.820 -0.041 0.000 2.312 299 A HA 0.458 4.778 4.320 -0.000 0.000 0.326 299 A C -0.482 177.057 177.584 -0.076 0.000 1.172 299 A CA -0.590 51.433 52.037 -0.024 0.000 0.821 299 A CB 0.395 19.411 19.000 0.026 0.000 1.166 299 A HN 1.004 nan 8.150 nan 0.000 0.493 300 H N 1.858 120.861 119.070 -0.112 0.000 2.661 300 H HA 0.290 4.846 4.556 -0.000 0.000 0.290 300 H C -1.239 174.109 175.328 0.034 0.000 1.082 300 H CA -0.607 55.408 56.048 -0.056 0.000 1.234 300 H CB 0.496 30.236 29.762 -0.036 0.000 1.387 300 H HN 0.686 nan 8.280 nan 0.000 0.476 301 D N 3.792 124.343 120.400 0.251 0.000 2.347 301 D HA -0.005 4.635 4.640 -0.000 0.000 0.235 301 D C 1.236 177.610 176.300 0.122 0.000 1.149 301 D CA -0.222 53.854 54.000 0.126 0.000 0.850 301 D CB 1.406 42.275 40.800 0.115 0.000 1.061 301 D HN 0.699 nan 8.370 nan 0.000 0.487 302 T N -0.092 114.432 114.554 -0.049 0.000 3.037 302 T HA 0.006 4.356 4.350 -0.000 0.000 0.252 302 T C 1.003 175.692 174.700 -0.018 0.000 1.073 302 T CA 0.037 62.098 62.100 -0.066 0.000 1.091 302 T CB 0.116 68.874 68.868 -0.184 0.000 0.935 302 T HN 0.125 nan 8.240 nan 0.000 0.488 303 D N 1.376 121.771 120.400 -0.008 0.000 2.312 303 D HA 0.063 4.703 4.640 -0.000 0.000 0.211 303 D C 1.071 177.378 176.300 0.011 0.000 0.964 303 D CA 0.344 54.344 54.000 -0.000 0.000 0.877 303 D CB -0.304 40.502 40.800 0.011 0.000 0.924 303 D HN 0.366 nan 8.370 nan 0.000 0.515 304 R N 0.220 120.740 120.500 0.032 0.000 3.423 304 R HA -0.206 4.134 4.340 -0.000 0.000 0.271 304 R C -0.495 175.805 176.300 0.001 0.000 1.093 304 R CA 0.740 56.856 56.100 0.027 0.000 0.730 304 R CB -1.813 28.494 30.300 0.011 0.000 1.190 304 R HN 0.326 nan 8.270 nan 0.000 0.437 305 N N -0.546 118.165 118.700 0.017 0.000 2.194 305 N HA 0.128 4.868 4.740 -0.000 0.000 0.231 305 N C 0.507 176.035 175.510 0.031 0.000 1.247 305 N CA 0.102 53.157 53.050 0.009 0.000 0.884 305 N CB 0.293 38.801 38.487 0.035 0.000 1.146 305 N HN 0.319 nan 8.380 nan 0.000 0.516 306 L N -0.685 120.568 121.223 0.050 0.000 4.001 306 L HA -0.240 4.099 4.340 -0.000 0.000 0.413 306 L C -0.393 176.678 176.870 0.335 0.000 1.185 306 L CA 0.779 55.708 54.840 0.148 0.000 0.963 306 L CB -2.424 39.538 42.059 -0.162 0.000 1.976 306 L HN 0.436 nan 8.230 nan 0.000 0.939 307 S N -0.168 115.656 115.700 0.208 0.000 2.546 307 S HA 0.757 5.227 4.470 -0.000 0.000 0.272 307 S C -0.477 174.196 174.600 0.121 0.000 1.140 307 S CA -0.092 58.217 58.200 0.182 0.000 0.920 307 S CB 2.154 65.463 63.200 0.182 0.000 1.083 307 S HN 0.383 nan 8.310 nan 0.000 0.476 308 V N 1.557 121.530 119.914 0.099 0.000 2.604 308 V HA 0.715 4.835 4.120 -0.000 0.000 0.305 308 V C -1.068 175.071 176.094 0.075 0.000 1.043 308 V CA -0.851 61.496 62.300 0.079 0.000 0.888 308 V CB 1.854 33.718 31.823 0.069 0.000 0.995 308 V HN 0.813 nan 8.190 nan 0.000 0.429 309 D N 3.160 123.603 120.400 0.072 0.000 2.193 309 D HA 0.572 5.212 4.640 -0.000 0.000 0.244 309 D C -0.634 175.620 176.300 -0.076 0.000 1.064 309 D CA -0.181 53.835 54.000 0.027 0.000 0.845 309 D CB 2.532 43.294 40.800 -0.063 0.000 1.148 309 D HN 0.461 nan 8.370 nan 0.000 0.464 310 V N 2.890 122.733 119.914 -0.118 0.000 2.448 310 V HA 0.305 4.425 4.120 -0.000 0.000 0.295 310 V C -0.905 175.079 176.094 -0.184 0.000 1.025 310 V CA -0.707 61.534 62.300 -0.097 0.000 0.859 310 V CB 0.793 32.601 31.823 -0.025 0.000 0.988 310 V HN 0.378 nan 8.190 nan 0.000 0.431 311 Y N 3.749 123.969 120.300 -0.134 0.000 2.468 311 Y HA 0.746 5.296 4.550 -0.000 0.000 0.342 311 Y C -0.579 175.137 175.900 -0.307 0.000 1.021 311 Y CA -1.032 57.009 58.100 -0.098 0.000 1.079 311 Y CB 1.674 40.061 38.460 -0.122 0.000 1.226 311 Y HN 0.519 nan 8.280 nan 0.000 0.460 312 Y N 0.478 120.850 120.300 0.121 0.000 2.524 312 Y HA 0.333 4.883 4.550 -0.000 0.000 0.347 312 Y C -0.537 175.380 175.900 0.028 0.000 1.005 312 Y CA -1.512 56.610 58.100 0.037 0.000 1.025 312 Y CB 1.728 40.193 38.460 0.009 0.000 1.275 312 Y HN 0.656 nan 8.280 nan 0.000 0.460 313 D N 1.326 121.835 120.400 0.182 0.000 2.388 313 D HA 0.340 4.980 4.640 -0.000 0.000 0.254 313 D C -2.349 174.013 176.300 0.104 0.000 1.111 313 D CA -2.274 51.790 54.000 0.106 0.000 0.993 313 D CB 1.133 41.984 40.800 0.085 0.000 1.118 313 D HN 0.130 nan 8.370 nan 0.000 0.502 314 P HA -0.097 nan 4.420 nan 0.000 0.219 314 P C 1.043 178.400 177.300 0.095 0.000 1.146 314 P CA 1.220 64.388 63.100 0.114 0.000 0.808 314 P CB 0.018 31.807 31.700 0.149 0.000 0.779 315 M N -2.207 117.447 119.600 0.089 0.000 2.659 315 M HA 0.249 4.729 4.480 -0.000 0.000 0.243 315 M C 1.266 177.627 176.300 0.103 0.000 1.111 315 M CA 0.595 55.943 55.300 0.079 0.000 1.070 315 M CB -1.769 30.874 32.600 0.072 0.000 1.525 315 M HN 0.087 nan 8.290 nan 0.000 0.517 316 G N 1.300 110.175 108.800 0.125 0.000 2.137 316 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.237 316 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.237 316 G C -0.088 174.961 174.900 0.248 0.000 1.002 316 G CA -0.236 44.956 45.100 0.153 0.000 0.702 316 G HN 0.480 nan 8.290 nan 0.000 0.515 317 N N 1.116 119.958 118.700 0.237 0.000 2.455 317 N HA 0.425 5.165 4.740 -0.000 0.000 0.280 317 N C -2.749 172.781 175.510 0.034 0.000 1.055 317 N CA -1.192 51.980 53.050 0.203 0.000 0.961 317 N CB 1.595 40.200 38.487 0.196 0.000 1.121 317 N HN 0.053 nan 8.380 nan 0.000 0.476 318 P HA 0.203 nan 4.420 nan 0.000 0.271 318 P C -0.377 176.605 177.300 -0.530 0.000 1.216 318 P CA 0.095 62.914 63.100 -0.469 0.000 0.776 318 P CB 0.848 32.257 31.700 -0.485 0.000 0.881 319 L N 2.326 123.288 121.223 -0.435 0.000 2.342 319 L HA 0.411 4.751 4.340 -0.000 0.000 0.271 319 L C 0.283 176.981 176.870 -0.287 0.000 1.008 319 L CA -0.566 54.089 54.840 -0.309 0.000 0.818 319 L CB 1.733 43.694 42.059 -0.164 0.000 1.296 319 L HN 0.262 nan 8.230 nan 0.000 0.427 320 D N 2.682 122.920 120.400 -0.269 0.000 2.518 320 D HA 0.205 4.845 4.640 -0.000 0.000 0.230 320 D C -0.531 175.620 176.300 -0.247 0.000 1.138 320 D CA -0.232 53.635 54.000 -0.222 0.000 0.964 320 D CB 0.397 41.081 40.800 -0.192 0.000 1.011 320 D HN 0.272 nan 8.370 nan 0.000 0.517 321 K N 2.198 122.417 120.400 -0.301 0.000 2.471 321 K HA 0.659 4.979 4.320 -0.000 0.000 0.252 321 K C -0.577 175.804 176.600 -0.365 0.000 0.938 321 K CA -0.511 55.471 56.287 -0.508 0.000 0.796 321 K CB 1.373 33.265 32.500 -1.014 0.000 1.161 321 K HN 0.444 nan 8.250 nan 0.000 0.425 322 G N 1.462 110.095 108.800 -0.278 0.000 2.674 322 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.686 322 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.686 322 G C 0.129 174.970 174.900 -0.098 0.000 1.195 322 G CA -0.358 44.666 45.100 -0.126 0.000 0.776 322 G HN 0.472 nan 8.290 nan 0.000 0.654 323 S N 0.300 115.940 115.700 -0.099 0.000 2.428 323 S HA 0.037 4.507 4.470 -0.000 0.000 0.230 323 S C 1.072 175.579 174.600 -0.154 0.000 1.014 323 S CA 1.277 59.402 58.200 -0.124 0.000 0.957 323 S CB -0.116 63.003 63.200 -0.134 0.000 0.784 323 S HN 0.702 nan 8.310 nan 0.000 0.499 324 D N 1.681 122.021 120.400 -0.100 0.000 2.371 324 D HA 0.478 5.118 4.640 -0.000 0.000 0.242 324 D C 0.287 176.587 176.300 -0.000 0.000 1.218 324 D CA 0.302 54.260 54.000 -0.071 0.000 0.945 324 D CB 0.930 41.728 40.800 -0.004 0.000 1.137 324 D HN 0.342 nan 8.370 nan 0.000 0.464 325 S N -1.665 114.077 115.700 0.071 0.000 2.595 325 S HA 0.544 5.014 4.470 -0.000 0.000 0.270 325 S C -1.560 173.159 174.600 0.199 0.000 1.145 325 S CA -0.984 57.290 58.200 0.124 0.000 0.825 325 S CB 1.034 64.331 63.200 0.160 0.000 1.107 325 S HN 0.113 nan 8.310 nan 0.000 0.461 326 V N 2.009 122.044 119.914 0.201 0.000 2.447 326 V HA 0.462 4.582 4.120 -0.000 0.000 0.292 326 V C -1.175 175.106 176.094 0.312 0.000 1.021 326 V CA -0.470 61.971 62.300 0.235 0.000 0.850 326 V CB 0.785 32.695 31.823 0.145 0.000 1.005 326 V HN 0.873 nan 8.190 nan 0.000 0.426 327 W N 2.916 124.196 121.300 -0.032 0.000 2.202 327 W HA 0.368 5.028 4.660 -0.000 0.000 0.332 327 W C 1.332 177.894 176.519 0.073 0.000 1.263 327 W CA -0.822 56.482 57.345 -0.067 0.000 1.223 327 W CB -0.209 29.178 29.460 -0.122 0.000 1.128 327 W HN 0.522 nan 8.180 nan 0.000 0.573 328 N N 0.921 119.810 118.700 0.315 0.000 2.309 328 N HA -0.037 4.703 4.740 -0.000 0.000 0.182 328 N C -0.466 175.402 175.510 0.596 0.000 1.018 328 N CA 1.261 54.564 53.050 0.422 0.000 0.876 328 N CB -0.120 38.635 38.487 0.448 0.000 0.972 328 N HN 0.296 nan 8.380 nan 0.000 0.434 329 F N -2.849 117.400 119.950 0.498 0.000 2.708 329 F HA 0.482 5.009 4.527 -0.000 0.000 0.309 329 F C -1.474 174.652 175.800 0.545 0.000 1.120 329 F CA -1.400 56.740 58.000 0.234 0.000 0.978 329 F CB 0.775 39.663 39.000 -0.187 0.000 1.283 329 F HN -0.176 nan 8.300 nan 0.000 0.439 330 H N 1.766 121.061 119.070 0.375 0.000 2.759 330 H HA 0.802 5.358 4.556 -0.000 0.000 0.354 330 H C -2.093 173.342 175.328 0.180 0.000 1.074 330 H CA -1.049 55.223 56.048 0.373 0.000 1.226 330 H CB 2.093 31.874 29.762 0.031 0.000 1.648 330 H HN 0.729 nan 8.280 nan 0.000 0.529 331 V N 6.167 125.966 119.914 -0.191 0.000 2.435 331 V HA 0.452 4.572 4.120 -0.000 0.000 0.290 331 V C -0.735 175.134 176.094 -0.375 0.000 1.030 331 V CA -0.316 61.783 62.300 -0.334 0.000 0.881 331 V CB 0.576 32.429 31.823 0.050 0.000 0.983 331 V HN 0.877 nan 8.190 nan 0.000 0.445 332 W N 3.794 124.922 121.300 -0.286 0.000 3.179 332 W HA 0.726 5.386 4.660 -0.000 0.000 0.372 332 W C -1.146 175.332 176.519 -0.068 0.000 1.137 332 W CA -1.129 56.120 57.345 -0.160 0.000 1.100 332 W CB 0.644 30.015 29.460 -0.149 0.000 1.503 332 W HN 0.390 nan 8.180 nan 0.000 0.601 333 N N -0.126 118.823 118.700 0.415 0.000 2.531 333 N HA 0.568 5.308 4.740 -0.000 0.000 0.290 333 N C -1.703 174.000 175.510 0.321 0.000 1.257 333 N CA -1.002 52.199 53.050 0.252 0.000 0.863 333 N CB 1.797 40.383 38.487 0.166 0.000 1.320 333 N HN 0.504 nan 8.380 nan 0.000 0.538 334 E N -1.006 119.295 120.200 0.168 0.000 2.263 334 E HA 0.566 4.916 4.350 -0.000 0.000 0.268 334 E C -1.068 175.702 176.600 0.284 0.000 0.884 334 E CA -0.802 55.708 56.400 0.182 0.000 0.766 334 E CB 1.817 31.475 29.700 -0.071 0.000 1.196 334 E HN 0.620 nan 8.360 nan 0.000 0.416 335 G N 2.216 111.179 108.800 0.271 0.000 2.417 335 G HA2 0.337 4.297 3.960 -0.000 0.000 0.334 335 G HA3 0.337 4.297 3.960 -0.000 0.000 0.334 335 G C -1.541 173.346 174.900 -0.021 0.000 1.150 335 G CA -0.495 44.759 45.100 0.257 0.000 0.923 335 G HN 0.438 nan 8.290 nan 0.000 0.485 336 W N 3.968 125.144 121.300 -0.207 0.000 2.362 336 W HA 0.626 5.285 4.660 -0.000 0.000 0.316 336 W C -1.916 174.442 176.519 -0.268 0.000 1.024 336 W CA -1.333 55.690 57.345 -0.538 0.000 1.270 336 W CB 0.909 29.897 29.460 -0.786 0.000 1.273 336 W HN 0.463 nan 8.180 nan 0.000 0.424 337 F N 2.740 122.337 119.950 -0.589 0.000 2.769 337 F HA 0.418 4.945 4.527 -0.000 0.000 0.313 337 F C -0.646 174.903 175.800 -0.418 0.000 1.146 337 F CA -1.721 56.027 58.000 -0.420 0.000 0.934 337 F CB -0.325 38.553 39.000 -0.203 0.000 1.283 337 F HN 0.070 nan 8.300 nan 0.000 0.443 338 V N 0.299 120.179 119.914 -0.056 0.000 2.843 338 V HA 0.514 4.634 4.120 -0.000 0.000 0.305 338 V C 0.043 176.177 176.094 0.067 0.000 1.065 338 V CA -0.555 61.705 62.300 -0.067 0.000 1.116 338 V CB 0.655 32.471 31.823 -0.012 0.000 0.968 338 V HN 0.808 nan 8.190 nan 0.000 0.487 339 R N 3.292 123.809 120.500 0.028 0.000 2.471 339 R HA 0.311 4.651 4.340 -0.000 0.000 0.292 339 R C 1.266 177.607 176.300 0.067 0.000 1.192 339 R CA 0.455 56.606 56.100 0.084 0.000 1.257 339 R CB 0.730 31.069 30.300 0.065 0.000 1.130 339 R HN 1.062 nan 8.270 nan 0.000 0.558 340 S N 0.051 115.793 115.700 0.069 0.000 2.481 340 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 340 S C 1.167 175.792 174.600 0.041 0.000 0.996 340 S CA 0.914 59.145 58.200 0.052 0.000 0.942 340 S CB 0.047 63.278 63.200 0.051 0.000 0.768 340 S HN 0.526 nan 8.310 nan 0.000 0.520 341 D N 1.658 122.083 120.400 0.043 0.000 2.317 341 D HA -0.024 4.616 4.640 -0.000 0.000 0.211 341 D C 1.588 177.863 176.300 -0.042 0.000 0.966 341 D CA 0.457 54.463 54.000 0.010 0.000 0.876 341 D CB -0.255 40.562 40.800 0.029 0.000 0.927 341 D HN 0.503 nan 8.370 nan 0.000 0.519 342 L N -0.899 120.303 121.223 -0.035 0.000 2.701 342 L HA 0.405 4.745 4.340 -0.000 0.000 0.238 342 L C 1.109 178.010 176.870 0.052 0.000 1.106 342 L CA 0.191 54.965 54.840 -0.111 0.000 0.898 342 L CB 0.491 42.411 42.059 -0.231 0.000 1.188 342 L HN 0.227 nan 8.230 nan 0.000 0.508 343 G N 0.202 109.066 108.800 0.105 0.000 2.555 343 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.686 343 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.686 343 G C -2.530 172.451 174.900 0.134 0.000 1.275 343 G CA -0.688 44.497 45.100 0.142 0.000 0.871 343 G HN -0.145 nan 8.290 nan 0.000 0.603 344 P HA -0.132 nan 4.420 nan 0.000 0.215 344 P C 2.247 179.516 177.300 -0.052 0.000 1.163 344 P CA 2.786 65.887 63.100 0.002 0.000 0.894 344 P CB -0.070 31.625 31.700 -0.008 0.000 0.791 345 S N -2.824 112.805 115.700 -0.117 0.000 2.595 345 S HA -0.120 4.350 4.470 -0.000 0.000 0.235 345 S C 1.182 175.517 174.600 -0.441 0.000 0.974 345 S CA 0.708 58.728 58.200 -0.300 0.000 0.942 345 S CB -1.384 61.561 63.200 -0.425 0.000 0.766 345 S HN 0.215 nan 8.310 nan 0.000 0.536 346 Y N 1.605 121.856 120.300 -0.081 0.000 2.467 346 Y HA 0.443 4.993 4.550 -0.000 0.000 0.250 346 Y C 1.851 177.651 175.900 -0.165 0.000 1.155 346 Y CA -0.579 57.462 58.100 -0.099 0.000 1.249 346 Y CB -0.215 38.204 38.460 -0.068 0.000 1.146 346 Y HN 0.374 nan 8.280 nan 0.000 0.524 347 G N -0.006 108.729 108.800 -0.109 0.000 2.583 347 G HA2 0.415 4.375 3.960 -0.000 0.000 0.275 347 G HA3 0.415 4.375 3.960 -0.000 0.000 0.275 347 G C 0.684 175.269 174.900 -0.524 0.000 1.342 347 G CA 0.427 45.350 45.100 -0.296 0.000 1.030 347 G HN 0.573 nan 8.290 nan 0.000 0.520 348 G N -1.691 106.483 108.800 -1.043 0.000 2.516 348 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.220 348 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.220 348 G C -0.255 173.905 174.900 -1.234 0.000 1.165 348 G CA -0.128 43.998 45.100 -1.624 0.000 1.013 348 G HN 0.809 nan 8.290 nan 0.000 0.590 349 W N 2.014 123.095 121.300 -0.365 0.000 2.238 349 W HA 0.604 5.264 4.660 -0.000 0.000 0.321 349 W C 0.429 176.782 176.519 -0.277 0.000 1.293 349 W CA -0.277 56.972 57.345 -0.160 0.000 1.204 349 W CB 0.891 30.346 29.460 -0.008 0.000 1.167 349 W HN 0.379 nan 8.180 nan 0.000 0.553 350 Q N 2.388 122.174 119.800 -0.023 0.000 2.337 350 Q HA 0.354 4.694 4.340 -0.000 0.000 0.270 350 Q C -0.689 175.350 176.000 0.066 0.000 1.043 350 Q CA -1.076 54.667 55.803 -0.100 0.000 0.794 350 Q CB 1.920 30.410 28.738 -0.413 0.000 1.281 350 Q HN 0.238 nan 8.270 nan 0.000 0.446 351 V N 3.565 123.532 119.914 0.089 0.000 2.555 351 V HA 0.279 4.399 4.120 -0.000 0.000 0.286 351 V C 0.159 176.292 176.094 0.065 0.000 1.044 351 V CA -0.046 62.303 62.300 0.081 0.000 1.026 351 V CB 0.397 32.189 31.823 -0.052 0.000 0.981 351 V HN 0.534 nan 8.190 nan 0.000 0.480 352 L N 4.705 125.989 121.223 0.101 0.000 2.439 352 L HA 0.581 4.920 4.340 -0.000 0.000 0.270 352 L C -0.977 175.961 176.870 0.113 0.000 0.972 352 L CA -0.335 54.566 54.840 0.101 0.000 0.836 352 L CB 2.075 44.222 42.059 0.145 0.000 1.255 352 L HN 0.529 nan 8.230 nan 0.000 0.404 353 D N 2.145 122.584 120.400 0.065 0.000 2.620 353 D HA 0.472 5.112 4.640 -0.000 0.000 0.252 353 D C 0.109 176.440 176.300 0.052 0.000 1.207 353 D CA -0.253 53.812 54.000 0.110 0.000 0.884 353 D CB 2.491 43.352 40.800 0.102 0.000 1.262 353 D HN 0.585 nan 8.370 nan 0.000 0.552 354 A N 2.702 125.554 122.820 0.054 0.000 2.308 354 A HA 0.158 4.478 4.320 -0.000 0.000 0.217 354 A C 0.859 178.252 177.584 -0.319 0.000 1.216 354 A CA 0.106 52.118 52.037 -0.041 0.000 0.864 354 A CB 0.080 19.119 19.000 0.064 0.000 0.902 354 A HN 0.434 nan 8.150 nan 0.000 0.499 355 T N 3.868 118.270 114.554 -0.254 0.000 2.799 355 T HA 0.278 4.628 4.350 -0.000 0.000 0.296 355 T C -2.406 172.074 174.700 -0.366 0.000 0.947 355 T CA -0.533 61.289 62.100 -0.464 0.000 1.141 355 T CB 0.744 69.694 68.868 0.138 0.000 0.891 355 T HN 0.212 nan 8.240 nan 0.000 0.533 356 P HA 0.141 nan 4.420 nan 0.000 0.241 356 P C 0.145 177.224 177.300 -0.367 0.000 1.760 356 P CA 0.116 62.926 63.100 -0.483 0.000 1.081 356 P CB 0.435 31.637 31.700 -0.831 0.000 1.975 357 Q N 0.929 120.578 119.800 -0.251 0.000 2.252 357 Q HA 0.024 4.364 4.340 -0.000 0.000 0.195 357 Q C 0.260 176.162 176.000 -0.162 0.000 0.974 357 Q CA 0.731 56.327 55.803 -0.345 0.000 0.846 357 Q CB 0.319 28.654 28.738 -0.672 0.000 0.943 357 Q HN 0.213 nan 8.270 nan 0.000 0.516 358 E N 0.567 120.501 120.200 -0.443 0.000 2.158 358 E HA 0.230 4.580 4.350 -0.000 0.000 0.271 358 E C -1.300 175.082 176.600 -0.363 0.000 0.911 358 E CA -0.284 55.867 56.400 -0.414 0.000 0.767 358 E CB 0.867 29.963 29.700 -1.006 0.000 1.120 358 E HN 0.034 nan 8.360 nan 0.000 0.405 359 R N 2.228 122.480 120.500 -0.414 0.000 2.590 359 R HA 0.267 4.607 4.340 -0.000 0.000 0.274 359 R C -0.474 175.605 176.300 -0.369 0.000 1.061 359 R CA 0.110 55.828 56.100 -0.637 0.000 1.081 359 R CB 0.825 30.698 30.300 -0.712 0.000 0.984 359 R HN 0.376 nan 8.270 nan 0.000 0.448 360 S N 1.837 117.353 115.700 -0.306 0.000 2.707 360 S HA 0.118 4.588 4.470 -0.000 0.000 0.303 360 S C -0.592 173.921 174.600 -0.146 0.000 1.132 360 S CA -0.499 57.592 58.200 -0.181 0.000 1.046 360 S CB 0.771 63.887 63.200 -0.140 0.000 1.004 360 S HN 0.722 nan 8.310 nan 0.000 0.483 361 Q N 2.811 122.547 119.800 -0.106 0.000 2.494 361 Q HA -0.244 4.096 4.340 -0.000 0.000 0.272 361 Q C 0.995 176.931 176.000 -0.107 0.000 1.145 361 Q CA 0.969 56.725 55.803 -0.078 0.000 0.943 361 Q CB -1.835 26.877 28.738 -0.043 0.000 1.338 361 Q HN 1.549 nan 8.270 nan 0.000 0.492 362 G N -2.271 106.433 108.800 -0.160 0.000 2.363 362 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.238 362 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.238 362 G C 0.305 175.048 174.900 -0.260 0.000 1.062 362 G CA 0.100 45.089 45.100 -0.185 0.000 0.629 362 G HN 0.396 nan 8.290 nan 0.000 0.514 363 V N 1.116 120.898 119.914 -0.220 0.000 2.743 363 V HA 0.605 4.725 4.120 -0.000 0.000 0.301 363 V C 0.450 176.372 176.094 -0.287 0.000 1.057 363 V CA -0.484 61.697 62.300 -0.197 0.000 1.006 363 V CB 1.445 33.214 31.823 -0.090 0.000 1.024 363 V HN 0.222 nan 8.190 nan 0.000 0.473 364 F N 3.854 123.754 119.950 -0.084 0.000 2.605 364 F HA 0.297 4.824 4.527 -0.000 0.000 0.352 364 F C 0.846 176.567 175.800 -0.133 0.000 1.236 364 F CA -0.083 57.846 58.000 -0.119 0.000 1.267 364 F CB -0.070 38.870 39.000 -0.100 0.000 1.632 364 F HN 0.547 nan 8.300 nan 0.000 0.639 365 Q N 0.741 120.526 119.800 -0.025 0.000 2.528 365 Q HA 0.752 5.092 4.340 -0.000 0.000 0.289 365 Q C -1.406 174.538 176.000 -0.093 0.000 1.091 365 Q CA -1.184 54.582 55.803 -0.063 0.000 0.797 365 Q CB 2.748 31.424 28.738 -0.104 0.000 1.466 365 Q HN 0.280 nan 8.270 nan 0.000 0.436 366 C N 0.463 119.716 119.300 -0.078 0.000 2.817 366 C HA 0.781 5.241 4.460 -0.000 0.000 0.385 366 C C 0.032 175.008 174.990 -0.025 0.000 1.050 366 C CA 1.051 60.038 59.018 -0.051 0.000 1.245 366 C CB 0.374 28.092 27.740 -0.038 0.000 1.706 366 C HN 1.294 nan 8.230 nan 0.000 0.488 367 G N 6.673 115.477 108.800 0.007 0.000 2.592 367 G HA2 0.058 4.018 3.960 -0.000 0.000 0.684 367 G HA3 0.058 4.018 3.960 -0.000 0.000 0.684 367 G C -3.300 171.563 174.900 -0.061 0.000 1.291 367 G CA -0.423 44.707 45.100 0.051 0.000 0.891 367 G HN 0.701 nan 8.290 nan 0.000 0.544 368 P HA 0.517 nan 4.420 nan 0.000 0.280 368 P C -0.383 177.075 177.300 0.263 0.000 1.244 368 P CA 0.505 63.740 63.100 0.224 0.000 0.784 368 P CB 1.541 33.447 31.700 0.343 0.000 0.913 369 A N 2.489 125.395 122.820 0.143 0.000 2.311 369 A HA 0.425 4.745 4.320 -0.000 0.000 0.306 369 A C 0.340 177.963 177.584 0.066 0.000 1.189 369 A CA -0.692 51.407 52.037 0.104 0.000 0.791 369 A CB 0.603 19.648 19.000 0.075 0.000 1.172 369 A HN 0.495 nan 8.150 nan 0.000 0.481 370 S N 2.657 118.388 115.700 0.052 0.000 2.515 370 S HA 0.145 4.615 4.470 -0.000 0.000 0.285 370 S C 1.327 175.960 174.600 0.055 0.000 1.265 370 S CA -0.152 58.076 58.200 0.047 0.000 1.079 370 S CB 0.027 63.299 63.200 0.119 0.000 0.877 370 S HN 0.777 nan 8.310 nan 0.000 0.493 371 V N 7.310 127.228 119.914 0.007 0.000 2.343 371 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 371 V C 2.253 178.308 176.094 -0.065 0.000 1.051 371 V CA 2.080 64.323 62.300 -0.095 0.000 1.036 371 V CB -0.803 30.881 31.823 -0.232 0.000 0.654 371 V HN 0.931 nan 8.190 nan 0.000 0.451 372 I N 0.954 121.509 120.570 -0.025 0.000 2.248 372 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 372 I C 2.546 178.710 176.117 0.077 0.000 1.107 372 I CA 1.820 63.109 61.300 -0.018 0.000 1.373 372 I CB -0.866 37.095 38.000 -0.066 0.000 1.055 372 I HN 0.432 nan 8.210 nan 0.000 0.418 373 G N 0.274 109.190 108.800 0.194 0.000 2.402 373 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 373 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 373 G C 1.695 176.723 174.900 0.214 0.000 1.162 373 G CA 0.781 46.052 45.100 0.285 0.000 0.777 373 G HN 0.235 nan 8.290 nan 0.000 0.539 374 V N 0.850 120.872 119.914 0.181 0.000 2.233 374 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 374 V C 2.758 179.033 176.094 0.301 0.000 1.050 374 V CA 2.331 64.786 62.300 0.258 0.000 1.010 374 V CB -0.615 31.335 31.823 0.212 0.000 0.637 374 V HN 0.410 nan 8.190 nan 0.000 0.444 375 R N -0.036 120.561 120.500 0.162 0.000 2.113 375 R HA -0.226 4.114 4.340 -0.000 0.000 0.244 375 R C 2.192 178.678 176.300 0.311 0.000 1.142 375 R CA 2.021 58.208 56.100 0.144 0.000 0.953 375 R CB -0.200 30.077 30.300 -0.038 0.000 0.860 375 R HN 0.500 nan 8.270 nan 0.000 0.438 376 E N -1.000 119.367 120.200 0.279 0.000 2.358 376 E HA 0.014 4.364 4.350 -0.000 0.000 0.195 376 E C 0.938 177.703 176.600 0.274 0.000 1.010 376 E CA 0.941 57.528 56.400 0.312 0.000 0.856 376 E CB 0.256 30.083 29.700 0.211 0.000 0.795 376 E HN 0.634 nan 8.360 nan 0.000 0.504 377 G N 2.279 111.265 108.800 0.311 0.000 2.204 377 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.244 377 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.244 377 G C -0.429 174.458 174.900 -0.023 0.000 1.062 377 G CA 0.089 45.262 45.100 0.121 0.000 0.798 377 G HN 0.130 nan 8.290 nan 0.000 0.496 378 D N 0.955 121.392 120.400 0.061 0.000 2.767 378 D HA 0.234 4.874 4.640 -0.000 0.000 0.241 378 D C 2.040 178.312 176.300 -0.047 0.000 1.187 378 D CA 0.377 54.383 54.000 0.011 0.000 0.999 378 D CB 0.644 41.498 40.800 0.091 0.000 1.042 378 D HN 0.572 nan 8.370 nan 0.000 0.510 379 V N -0.244 119.609 119.914 -0.101 0.000 3.383 379 V HA -0.218 3.902 4.120 -0.000 0.000 0.272 379 V C 1.434 177.464 176.094 -0.107 0.000 1.181 379 V CA 0.979 63.217 62.300 -0.103 0.000 1.171 379 V CB -0.676 31.045 31.823 -0.170 0.000 0.800 379 V HN 0.120 nan 8.190 nan 0.000 0.515 380 Q N 0.566 120.295 119.800 -0.118 0.000 2.444 380 Q HA 0.384 4.724 4.340 -0.000 0.000 0.206 380 Q C 0.404 176.311 176.000 -0.155 0.000 0.948 380 Q CA 0.467 56.198 55.803 -0.121 0.000 0.946 380 Q CB -0.419 28.254 28.738 -0.108 0.000 1.027 380 Q HN 0.638 nan 8.270 nan 0.000 0.513 381 L N 1.338 122.453 121.223 -0.180 0.000 2.343 381 L HA 0.342 4.682 4.340 -0.000 0.000 0.275 381 L C -0.001 176.711 176.870 -0.262 0.000 1.056 381 L CA -1.016 53.670 54.840 -0.256 0.000 0.804 381 L CB 0.949 42.805 42.059 -0.339 0.000 1.203 381 L HN 0.136 nan 8.230 nan 0.000 0.440 382 N N 1.509 119.956 118.700 -0.421 0.000 2.503 382 N HA 0.415 5.155 4.740 -0.000 0.000 0.267 382 N C -0.947 174.353 175.510 -0.350 0.000 1.214 382 N CA 0.091 52.749 53.050 -0.654 0.000 0.959 382 N CB 0.949 38.439 38.487 -1.662 0.000 1.142 382 N HN 0.206 nan 8.380 nan 0.000 0.455 383 F N -0.655 119.286 119.950 -0.015 0.000 2.579 383 F HA 0.260 4.787 4.527 -0.000 0.000 0.324 383 F C 0.793 176.592 175.800 -0.000 0.000 1.058 383 F CA -0.834 57.159 58.000 -0.011 0.000 0.944 383 F CB 0.975 39.971 39.000 -0.006 0.000 1.245 383 F HN 0.328 nan 8.300 nan 0.000 0.477 384 D N 1.508 122.031 120.400 0.204 0.000 2.737 384 D HA -0.224 4.416 4.640 -0.000 0.000 0.233 384 D C 1.293 177.682 176.300 0.147 0.000 1.155 384 D CA 0.778 54.867 54.000 0.148 0.000 0.667 384 D CB -0.455 40.426 40.800 0.134 0.000 1.060 384 D HN 0.588 nan 8.370 nan 0.000 0.427 385 M N -1.141 118.513 119.600 0.090 0.000 2.123 385 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 385 M C -0.669 175.687 176.300 0.093 0.000 1.069 385 M CA 1.536 56.883 55.300 0.078 0.000 1.133 385 M CB -1.085 31.538 32.600 0.037 0.000 1.356 385 M HN 0.001 nan 8.290 nan 0.000 0.415 386 P HA -0.236 nan 4.420 nan 0.000 0.217 386 P C 1.420 178.790 177.300 0.116 0.000 1.162 386 P CA 1.448 64.581 63.100 0.055 0.000 0.901 386 P CB -0.333 31.384 31.700 0.027 0.000 0.793 387 F N 0.161 120.113 119.950 0.002 0.000 2.065 387 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 387 F C 2.025 177.802 175.800 -0.037 0.000 1.112 387 F CA 1.612 59.603 58.000 -0.015 0.000 1.212 387 F CB -1.058 37.910 39.000 -0.053 0.000 0.975 387 F HN -0.199 nan 8.300 nan 0.000 0.476 388 I N -0.992 119.379 120.570 -0.331 0.000 2.252 388 I HA -0.271 3.898 4.170 -0.000 0.000 0.245 388 I C 2.375 178.333 176.117 -0.265 0.000 1.102 388 I CA 1.422 62.428 61.300 -0.489 0.000 1.385 388 I CB -0.738 37.094 38.000 -0.280 0.000 1.064 388 I HN 0.186 nan 8.210 nan 0.000 0.414 389 F N 1.901 121.753 119.950 -0.164 0.000 2.091 389 F HA -0.337 4.190 4.527 -0.000 0.000 0.299 389 F C 2.532 178.294 175.800 -0.063 0.000 1.103 389 F CA 1.829 59.791 58.000 -0.062 0.000 1.228 389 F CB -0.235 38.742 39.000 -0.038 0.000 0.984 389 F HN 0.026 nan 8.300 nan 0.000 0.477 390 A N -0.531 122.361 122.820 0.120 0.000 1.972 390 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 390 A C 2.132 179.656 177.584 -0.101 0.000 1.169 390 A CA 1.781 53.859 52.037 0.069 0.000 0.635 390 A CB -0.916 18.116 19.000 0.053 0.000 0.810 390 A HN 0.562 nan 8.150 nan 0.000 0.446 391 E N -0.460 119.563 120.200 -0.295 0.000 2.110 391 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 391 E C 1.740 178.255 176.600 -0.142 0.000 0.988 391 E CA 1.804 58.012 56.400 -0.319 0.000 0.804 391 E CB -0.061 29.284 29.700 -0.591 0.000 0.745 391 E HN 0.612 nan 8.360 nan 0.000 0.458 392 V N -2.396 117.415 119.914 -0.173 0.000 3.660 392 V HA 0.263 4.383 4.120 -0.000 0.000 0.276 392 V C 0.712 176.716 176.094 -0.149 0.000 1.317 392 V CA 0.513 62.736 62.300 -0.129 0.000 1.097 392 V CB 0.451 32.183 31.823 -0.152 0.000 0.863 392 V HN 0.078 nan 8.190 nan 0.000 0.438 393 N N 0.335 118.925 118.700 -0.183 0.000 2.261 393 N HA 0.472 5.212 4.740 -0.000 0.000 0.241 393 N C 0.149 175.745 175.510 0.144 0.000 1.374 393 N CA 0.509 53.500 53.050 -0.099 0.000 0.802 393 N CB 0.886 39.201 38.487 -0.287 0.000 1.339 393 N HN 0.614 nan 8.380 nan 0.000 0.498 394 A N -0.167 122.747 122.820 0.157 0.000 2.386 394 A HA 0.338 4.658 4.320 -0.000 0.000 0.246 394 A C -0.237 177.418 177.584 0.117 0.000 1.089 394 A CA 0.098 52.304 52.037 0.282 0.000 0.790 394 A CB 0.210 19.315 19.000 0.175 0.000 1.042 394 A HN 0.304 nan 8.150 nan 0.000 0.497 395 D N 0.199 120.653 120.400 0.090 0.000 2.210 395 D HA 0.369 5.009 4.640 -0.000 0.000 0.249 395 D C 0.123 176.412 176.300 -0.019 0.000 1.062 395 D CA 0.029 53.974 54.000 -0.091 0.000 0.891 395 D CB 0.948 41.634 40.800 -0.190 0.000 1.186 395 D HN 0.482 nan 8.370 nan 0.000 0.432 396 R N 2.558 123.026 120.500 -0.054 0.000 2.346 396 R HA 0.514 4.854 4.340 -0.000 0.000 0.311 396 R C -0.775 175.485 176.300 -0.068 0.000 0.983 396 R CA -0.483 55.600 56.100 -0.028 0.000 0.880 396 R CB 0.517 30.809 30.300 -0.013 0.000 1.100 396 R HN 0.429 nan 8.270 nan 0.000 0.453 397 I N 3.472 124.005 120.570 -0.061 0.000 2.418 397 I HA 0.218 4.388 4.170 -0.000 0.000 0.287 397 I C -0.367 175.619 176.117 -0.218 0.000 1.008 397 I CA -0.737 60.456 61.300 -0.179 0.000 1.104 397 I CB 2.349 40.259 38.000 -0.151 0.000 1.264 397 I HN 0.539 nan 8.210 nan 0.000 0.438 398 T N 4.929 119.310 114.554 -0.288 0.000 2.743 398 T HA 0.367 4.717 4.350 -0.000 0.000 0.292 398 T C -0.859 173.644 174.700 -0.329 0.000 0.972 398 T CA -0.299 61.695 62.100 -0.176 0.000 0.967 398 T CB 0.313 69.151 68.868 -0.050 0.000 0.926 398 T HN 0.298 nan 8.240 nan 0.000 0.459 399 W N 2.483 123.621 121.300 -0.271 0.000 2.647 399 W HA 0.657 5.317 4.660 -0.000 0.000 0.353 399 W C -0.615 175.783 176.519 -0.203 0.000 1.080 399 W CA -1.097 56.084 57.345 -0.273 0.000 1.208 399 W CB 0.859 30.076 29.460 -0.405 0.000 1.396 399 W HN 0.164 nan 8.180 nan 0.000 0.573 400 L N 2.309 123.410 121.223 -0.203 0.000 2.329 400 L HA 0.459 4.799 4.340 -0.000 0.000 0.279 400 L C -1.169 175.367 176.870 -0.556 0.000 1.014 400 L CA -1.192 53.319 54.840 -0.547 0.000 0.814 400 L CB 1.024 42.325 42.059 -1.263 0.000 1.257 400 L HN 0.578 nan 8.230 nan 0.000 0.424 401 Y N 2.581 122.655 120.300 -0.378 0.000 2.470 401 Y HA 0.376 4.926 4.550 -0.000 0.000 0.341 401 Y C -0.975 174.872 175.900 -0.088 0.000 1.021 401 Y CA -0.738 57.242 58.100 -0.200 0.000 1.025 401 Y CB 1.867 40.289 38.460 -0.063 0.000 1.266 401 Y HN 0.571 nan 8.280 nan 0.000 0.448 402 D N 4.579 124.568 120.400 -0.686 0.000 2.440 402 D HA 0.117 4.757 4.640 -0.000 0.000 0.239 402 D C -0.051 175.750 176.300 -0.832 0.000 1.084 402 D CA -0.160 53.565 54.000 -0.459 0.000 0.843 402 D CB 1.404 42.177 40.800 -0.044 0.000 1.097 402 D HN 0.871 nan 8.370 nan 0.000 0.531 403 N N 1.769 120.105 118.700 -0.606 0.000 2.289 403 N HA -0.183 4.557 4.740 -0.000 0.000 0.184 403 N C 1.731 177.140 175.510 -0.168 0.000 1.016 403 N CA 1.928 54.780 53.050 -0.330 0.000 0.872 403 N CB 0.173 38.651 38.487 -0.015 0.000 0.973 403 N HN 0.481 nan 8.380 nan 0.000 0.433 404 T N -3.894 110.582 114.554 -0.131 0.000 3.113 404 T HA -0.044 4.306 4.350 -0.000 0.000 0.263 404 T C 1.282 175.950 174.700 -0.052 0.000 1.143 404 T CA 1.464 63.527 62.100 -0.062 0.000 1.090 404 T CB -0.465 68.383 68.868 -0.034 0.000 0.922 404 T HN 0.303 nan 8.240 nan 0.000 0.521 405 T N -4.554 109.950 114.554 -0.083 0.000 3.130 405 T HA 0.496 4.846 4.350 -0.000 0.000 0.288 405 T C 1.828 176.517 174.700 -0.018 0.000 0.936 405 T CA 0.588 62.668 62.100 -0.033 0.000 0.897 405 T CB -0.153 68.715 68.868 -0.001 0.000 1.178 405 T HN 0.773 nan 8.240 nan 0.000 0.543 406 G N 2.069 110.829 108.800 -0.066 0.000 2.228 406 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.270 406 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.270 406 G C 0.145 175.125 174.900 0.134 0.000 0.976 406 G CA 0.812 45.943 45.100 0.053 0.000 0.636 406 G HN 0.732 nan 8.290 nan 0.000 0.542 407 K N 0.266 120.723 120.400 0.096 0.000 2.276 407 K HA 0.478 4.798 4.320 -0.000 0.000 0.259 407 K C 0.437 177.295 176.600 0.431 0.000 1.001 407 K CA 0.391 56.849 56.287 0.285 0.000 0.927 407 K CB 0.532 33.242 32.500 0.351 0.000 0.969 407 K HN 0.483 nan 8.250 nan 0.000 0.490 408 Q N 1.971 122.138 119.800 0.611 0.000 2.403 408 Q HA 0.353 4.693 4.340 -0.000 0.000 0.267 408 Q C -2.247 174.221 176.000 0.779 0.000 0.991 408 Q CA -0.819 55.315 55.803 0.551 0.000 0.906 408 Q CB 1.182 30.146 28.738 0.377 0.000 1.422 408 Q HN 0.701 nan 8.270 nan 0.000 0.400 409 W N 2.153 123.764 121.300 0.518 0.000 3.439 409 W HA 0.556 5.216 4.660 -0.000 0.000 0.323 409 W C -1.384 175.295 176.519 0.267 0.000 1.174 409 W CA -0.955 56.645 57.345 0.425 0.000 1.224 409 W CB 0.803 30.388 29.460 0.208 0.000 1.348 409 W HN 0.434 nan 8.180 nan 0.000 0.498 410 K N 2.209 122.623 120.400 0.025 0.000 2.527 410 K HA -0.121 4.199 4.320 -0.000 0.000 0.278 410 K C 0.378 176.857 176.600 -0.201 0.000 0.981 410 K CA 0.771 56.712 56.287 -0.576 0.000 1.009 410 K CB 0.682 32.800 32.500 -0.636 0.000 0.895 410 K HN 0.700 nan 8.250 nan 0.000 0.493 411 N N 0.177 118.706 118.700 -0.285 0.000 2.684 411 N HA -0.038 4.701 4.740 -0.000 0.000 0.220 411 N C -0.915 174.512 175.510 -0.139 0.000 1.037 411 N CA 0.454 53.431 53.050 -0.121 0.000 0.975 411 N CB 0.706 39.129 38.487 -0.108 0.000 1.426 411 N HN 0.522 nan 8.380 nan 0.000 0.450 412 S N -0.845 114.733 115.700 -0.204 0.000 2.547 412 S HA 0.592 5.062 4.470 -0.000 0.000 0.270 412 S C -1.480 172.999 174.600 -0.201 0.000 1.150 412 S CA -0.892 57.210 58.200 -0.164 0.000 0.850 412 S CB 1.651 64.789 63.200 -0.104 0.000 1.118 412 S HN -0.079 nan 8.310 nan 0.000 0.461 413 V N 2.828 122.640 119.914 -0.170 0.000 2.409 413 V HA 0.602 4.722 4.120 -0.000 0.000 0.291 413 V C -0.635 175.367 176.094 -0.153 0.000 1.020 413 V CA -0.611 61.587 62.300 -0.171 0.000 0.848 413 V CB 1.451 33.174 31.823 -0.167 0.000 0.990 413 V HN 0.935 nan 8.190 nan 0.000 0.430 414 N N 2.659 121.268 118.700 -0.151 0.000 2.407 414 N HA 0.254 4.994 4.740 -0.000 0.000 0.277 414 N C 0.502 175.871 175.510 -0.236 0.000 0.995 414 N CA -0.144 52.807 53.050 -0.164 0.000 0.903 414 N CB 2.276 40.711 38.487 -0.087 0.000 1.218 414 N HN 0.641 nan 8.380 nan 0.000 0.487 415 S N 2.285 117.729 115.700 -0.426 0.000 2.568 415 S HA 0.171 4.641 4.470 -0.000 0.000 0.232 415 S C 0.212 174.509 174.600 -0.505 0.000 0.975 415 S CA -0.129 57.760 58.200 -0.518 0.000 0.949 415 S CB -0.171 62.652 63.200 -0.629 0.000 0.829 415 S HN 0.603 nan 8.310 nan 0.000 0.479 416 H N -0.215 118.808 119.070 -0.077 0.000 3.058 416 H HA 0.319 4.875 4.556 -0.000 0.000 0.266 416 H C 1.612 176.915 175.328 -0.042 0.000 1.135 416 H CA 0.410 56.423 56.048 -0.058 0.000 1.174 416 H CB 0.161 29.892 29.762 -0.051 0.000 1.581 416 H HN 0.433 nan 8.280 nan 0.000 0.553 417 T N 0.554 115.136 114.554 0.047 0.000 2.894 417 T HA 0.054 4.404 4.350 -0.000 0.000 0.258 417 T C 0.849 175.579 174.700 0.051 0.000 1.043 417 T CA 0.059 62.188 62.100 0.050 0.000 1.141 417 T CB -0.193 68.701 68.868 0.043 0.000 0.873 417 T HN -0.079 nan 8.240 nan 0.000 0.449 418 I N 1.771 122.361 120.570 0.033 0.000 2.648 418 I HA 0.396 4.566 4.170 -0.000 0.000 0.284 418 I C 1.134 177.268 176.117 0.028 0.000 1.153 418 I CA 0.488 61.813 61.300 0.042 0.000 1.426 418 I CB 0.086 38.103 38.000 0.028 0.000 1.381 418 I HN 0.459 nan 8.210 nan 0.000 0.571 419 G N 5.992 114.819 108.800 0.044 0.000 2.738 419 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.262 419 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.262 419 G C -0.192 174.710 174.900 0.003 0.000 1.032 419 G CA -0.670 44.440 45.100 0.017 0.000 1.278 419 G HN 0.626 nan 8.290 nan 0.000 0.537 420 R N 0.062 120.591 120.500 0.048 0.000 2.808 420 R HA 0.535 4.875 4.340 -0.000 0.000 0.272 420 R C 0.199 176.555 176.300 0.092 0.000 0.995 420 R CA -1.277 54.780 56.100 -0.072 0.000 0.917 420 R CB 1.234 31.455 30.300 -0.133 0.000 1.217 420 R HN 0.572 nan 8.270 nan 0.000 0.471 421 Y N 0.383 120.729 120.300 0.077 0.000 2.973 421 Y HA -0.253 4.297 4.550 -0.000 0.000 0.210 421 Y C 0.213 176.200 175.900 0.145 0.000 1.191 421 Y CA -0.046 58.088 58.100 0.057 0.000 0.991 421 Y CB -1.708 36.709 38.460 -0.071 0.000 1.231 421 Y HN 0.430 nan 8.280 nan 0.000 0.504 422 I N 1.067 121.712 120.570 0.126 0.000 2.662 422 I HA 0.001 4.171 4.170 -0.000 0.000 0.285 422 I C 0.616 176.732 176.117 -0.002 0.000 1.161 422 I CA 0.710 62.016 61.300 0.011 0.000 1.415 422 I CB 0.378 38.354 38.000 -0.041 0.000 1.385 422 I HN 0.244 nan 8.210 nan 0.000 0.552 423 S N 4.056 119.723 115.700 -0.055 0.000 2.599 423 S HA 0.717 5.187 4.470 -0.000 0.000 0.294 423 S C -0.269 174.325 174.600 -0.009 0.000 1.094 423 S CA -0.689 57.447 58.200 -0.106 0.000 0.931 423 S CB 2.486 65.494 63.200 -0.320 0.000 1.093 423 S HN 0.700 nan 8.310 nan 0.000 0.488 424 T N 0.713 115.310 114.554 0.072 0.000 2.889 424 T HA 0.389 4.739 4.350 -0.000 0.000 0.315 424 T C -1.341 173.596 174.700 0.396 0.000 1.291 424 T CA -0.758 61.458 62.100 0.193 0.000 1.028 424 T CB 1.229 70.100 68.868 0.005 0.000 1.235 424 T HN 0.639 nan 8.240 nan 0.000 0.491 425 K N 2.108 122.734 120.400 0.378 0.000 2.414 425 K HA 0.585 4.905 4.320 -0.000 0.000 0.272 425 K C 0.201 176.923 176.600 0.204 0.000 0.993 425 K CA -0.258 56.216 56.287 0.311 0.000 0.964 425 K CB 0.436 33.010 32.500 0.123 0.000 0.925 425 K HN 0.679 nan 8.250 nan 0.000 0.487 426 A N 2.981 125.900 122.820 0.164 0.000 2.351 426 A HA 0.250 4.570 4.320 -0.000 0.000 0.257 426 A C -0.488 177.106 177.584 0.016 0.000 1.087 426 A CA -0.691 51.397 52.037 0.085 0.000 0.798 426 A CB 0.751 19.793 19.000 0.070 0.000 1.033 426 A HN 0.537 nan 8.150 nan 0.000 0.488 427 V N 2.051 121.943 119.914 -0.038 0.000 2.446 427 V HA 0.437 4.557 4.120 -0.000 0.000 0.276 427 V C 1.534 177.581 176.094 -0.079 0.000 1.030 427 V CA 1.641 63.859 62.300 -0.137 0.000 1.033 427 V CB -0.156 31.555 31.823 -0.186 0.000 0.993 427 V HN 1.848 nan 8.190 nan 0.000 0.477 428 G N 4.157 112.912 108.800 -0.075 0.000 2.241 428 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.244 428 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.244 428 G C 0.270 175.163 174.900 -0.011 0.000 0.998 428 G CA 0.593 45.670 45.100 -0.038 0.000 0.621 428 G HN 1.459 nan 8.290 nan 0.000 0.519 429 S N -1.436 114.265 115.700 0.001 0.000 2.705 429 S HA 0.647 5.117 4.470 -0.000 0.000 0.280 429 S C 0.016 174.637 174.600 0.035 0.000 1.174 429 S CA 0.014 58.224 58.200 0.016 0.000 0.823 429 S CB 1.197 64.408 63.200 0.018 0.000 1.162 429 S HN 0.082 nan 8.310 nan 0.000 0.487 430 N N 0.891 119.614 118.700 0.039 0.000 2.276 430 N HA 0.353 5.093 4.740 -0.000 0.000 0.212 430 N C 0.327 175.921 175.510 0.141 0.000 1.127 430 N CA 0.254 53.337 53.050 0.054 0.000 0.834 430 N CB 0.232 38.724 38.487 0.007 0.000 1.014 430 N HN 0.800 nan 8.380 nan 0.000 0.491 431 A N 0.847 123.742 122.820 0.125 0.000 2.445 431 A HA 0.170 4.490 4.320 -0.000 0.000 0.242 431 A C 0.675 178.390 177.584 0.218 0.000 1.075 431 A CA -0.335 51.780 52.037 0.130 0.000 0.777 431 A CB 0.438 19.474 19.000 0.060 0.000 1.013 431 A HN 0.280 nan 8.150 nan 0.000 0.493 432 R N 2.428 122.985 120.500 0.095 0.000 2.216 432 R HA 0.365 4.705 4.340 -0.000 0.000 0.332 432 R C -0.347 175.856 176.300 -0.162 0.000 1.056 432 R CA -0.114 55.853 56.100 -0.221 0.000 0.901 432 R CB 0.246 30.090 30.300 -0.761 0.000 1.039 432 R HN 0.825 nan 8.270 nan 0.000 0.456 433 M N 5.088 124.640 119.600 -0.080 0.000 2.063 433 M HA 0.131 4.611 4.480 -0.000 0.000 0.348 433 M C -0.815 175.440 176.300 -0.075 0.000 1.180 433 M CA -0.372 54.903 55.300 -0.041 0.000 1.059 433 M CB 0.954 33.569 32.600 0.024 0.000 1.544 433 M HN 0.534 nan 8.290 nan 0.000 0.447 434 D N 4.619 124.980 120.400 -0.065 0.000 2.348 434 D HA 0.171 4.811 4.640 -0.000 0.000 0.253 434 D C 0.365 176.662 176.300 -0.006 0.000 1.161 434 D CA 0.016 53.994 54.000 -0.037 0.000 0.876 434 D CB 1.230 42.025 40.800 -0.008 0.000 1.160 434 D HN 0.604 nan 8.370 nan 0.000 0.459 435 V N 1.352 121.276 119.914 0.016 0.000 3.070 435 V HA 0.137 4.257 4.120 -0.000 0.000 0.345 435 V C 1.447 177.611 176.094 0.116 0.000 1.403 435 V CA -0.253 62.074 62.300 0.044 0.000 1.155 435 V CB 0.017 31.859 31.823 0.032 0.000 1.140 435 V HN 0.424 nan 8.190 nan 0.000 0.505 436 T N 1.978 116.583 114.554 0.084 0.000 2.684 436 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 436 T C 1.521 176.268 174.700 0.078 0.000 1.036 436 T CA 2.398 64.556 62.100 0.096 0.000 1.148 436 T CB -0.464 68.406 68.868 0.005 0.000 0.863 436 T HN 0.873 nan 8.240 nan 0.000 0.436 437 D N 0.967 121.375 120.400 0.013 0.000 2.403 437 D HA -0.100 4.540 4.640 -0.000 0.000 0.227 437 D C 1.524 177.777 176.300 -0.079 0.000 0.995 437 D CA 0.598 54.574 54.000 -0.039 0.000 0.928 437 D CB -0.065 40.707 40.800 -0.047 0.000 0.887 437 D HN 0.210 nan 8.370 nan 0.000 0.529 438 K N -0.553 119.818 120.400 -0.050 0.000 2.334 438 K HA 0.031 4.351 4.320 -0.000 0.000 0.195 438 K C 1.188 177.638 176.600 -0.251 0.000 1.045 438 K CA 0.213 56.409 56.287 -0.151 0.000 1.004 438 K CB -0.053 32.343 32.500 -0.173 0.000 0.837 438 K HN 0.292 nan 8.250 nan 0.000 0.510 439 Y N 1.446 121.728 120.300 -0.029 0.000 2.497 439 Y HA 0.065 4.615 4.550 -0.000 0.000 0.265 439 Y C 0.705 176.571 175.900 -0.056 0.000 1.111 439 Y CA 0.141 58.229 58.100 -0.021 0.000 1.288 439 Y CB 0.647 39.110 38.460 0.004 0.000 1.082 439 Y HN -0.095 nan 8.280 nan 0.000 0.536 440 K N -2.241 118.193 120.400 0.056 0.000 2.578 440 K HA 0.269 4.589 4.320 -0.000 0.000 0.287 440 K C -1.729 174.859 176.600 -0.020 0.000 1.010 440 K CA -0.903 55.413 56.287 0.049 0.000 0.889 440 K CB 0.938 33.472 32.500 0.057 0.000 1.514 440 K HN -0.178 nan 8.250 nan 0.000 0.424 441 Y N 0.494 120.830 120.300 0.061 0.000 2.289 441 Y HA 0.273 4.823 4.550 -0.000 0.000 0.332 441 Y C -1.933 173.984 175.900 0.028 0.000 1.324 441 Y CA -1.696 56.432 58.100 0.047 0.000 1.478 441 Y CB 0.263 38.759 38.460 0.060 0.000 1.378 441 Y HN 0.432 nan 8.280 nan 0.000 0.558 442 P HA 0.004 nan 4.420 nan 0.000 0.268 442 P C -0.875 176.456 177.300 0.052 0.000 1.204 442 P CA -0.047 63.093 63.100 0.066 0.000 0.768 442 P CB 0.468 32.193 31.700 0.042 0.000 0.842 443 E N 1.896 122.092 120.200 -0.008 0.000 2.414 443 E HA 0.213 4.563 4.350 -0.000 0.000 0.263 443 E C 1.387 177.858 176.600 -0.216 0.000 1.000 443 E CA 1.035 57.406 56.400 -0.048 0.000 0.914 443 E CB -0.177 29.466 29.700 -0.095 0.000 0.948 443 E HN 0.776 nan 8.360 nan 0.000 0.444 444 G N 2.260 110.931 108.800 -0.216 0.000 2.171 444 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.238 444 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.238 444 G C 0.019 174.892 174.900 -0.044 0.000 1.039 444 G CA 0.417 45.398 45.100 -0.198 0.000 0.759 444 G HN 0.713 nan 8.290 nan 0.000 0.501 445 S N -1.315 114.396 115.700 0.018 0.000 2.536 445 S HA 0.641 5.111 4.470 -0.000 0.000 0.287 445 S C 0.594 175.208 174.600 0.022 0.000 1.101 445 S CA -0.064 58.150 58.200 0.023 0.000 0.950 445 S CB 2.352 65.582 63.200 0.051 0.000 1.056 445 S HN -0.061 nan 8.310 nan 0.000 0.481 446 D N 1.393 121.793 120.400 0.000 0.000 2.228 446 D HA -0.143 4.497 4.640 -0.000 0.000 0.203 446 D C 1.530 177.803 176.300 -0.045 0.000 0.988 446 D CA 1.607 55.601 54.000 -0.011 0.000 0.864 446 D CB 0.033 40.821 40.800 -0.020 0.000 0.928 446 D HN 0.589 nan 8.370 nan 0.000 0.469 447 Q N 0.600 120.336 119.800 -0.108 0.000 2.050 447 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 447 Q C 1.912 177.835 176.000 -0.128 0.000 0.980 447 Q CA 1.339 56.962 55.803 -0.300 0.000 0.840 447 Q CB -0.456 27.886 28.738 -0.661 0.000 0.898 447 Q HN 0.297 nan 8.270 nan 0.000 0.424 448 E N 0.721 120.945 120.200 0.040 0.000 2.045 448 E HA -0.256 4.093 4.350 -0.000 0.000 0.212 448 E C 1.739 178.444 176.600 0.175 0.000 1.039 448 E CA 1.773 58.269 56.400 0.159 0.000 0.860 448 E CB -0.093 29.702 29.700 0.159 0.000 0.776 448 E HN 0.082 nan 8.360 nan 0.000 0.467 449 R N 0.281 120.853 120.500 0.119 0.000 2.096 449 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 449 R C 2.504 178.901 176.300 0.161 0.000 1.127 449 R CA 1.648 57.828 56.100 0.133 0.000 0.968 449 R CB -1.143 29.193 30.300 0.061 0.000 0.861 449 R HN 0.546 nan 8.270 nan 0.000 0.440 450 Q N 0.521 120.365 119.800 0.073 0.000 2.112 450 Q HA -0.130 4.210 4.340 -0.000 0.000 0.206 450 Q C 1.886 177.922 176.000 0.060 0.000 0.987 450 Q CA 1.821 57.644 55.803 0.034 0.000 0.858 450 Q CB 0.112 28.824 28.738 -0.043 0.000 0.905 450 Q HN 0.125 nan 8.270 nan 0.000 0.420 451 V N 0.213 120.187 119.914 0.099 0.000 2.515 451 V HA -0.203 3.917 4.120 -0.000 0.000 0.250 451 V C 1.864 178.068 176.094 0.183 0.000 1.058 451 V CA 1.519 63.913 62.300 0.158 0.000 1.064 451 V CB -0.633 31.371 31.823 0.302 0.000 0.675 451 V HN 0.385 nan 8.190 nan 0.000 0.461 452 F N 1.090 121.126 119.950 0.144 0.000 2.102 452 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 452 F C 2.651 178.441 175.800 -0.016 0.000 1.105 452 F CA 1.698 59.770 58.000 0.120 0.000 1.239 452 F CB -0.183 38.910 39.000 0.155 0.000 0.991 452 F HN 0.133 nan 8.300 nan 0.000 0.474 453 Q N 0.658 120.549 119.800 0.153 0.000 2.061 453 Q HA -0.265 4.074 4.340 -0.000 0.000 0.204 453 Q C 2.257 178.208 176.000 -0.082 0.000 0.984 453 Q CA 1.883 57.709 55.803 0.038 0.000 0.846 453 Q CB -0.892 27.883 28.738 0.061 0.000 0.902 453 Q HN 0.484 nan 8.270 nan 0.000 0.421 454 K N 0.706 121.061 120.400 -0.075 0.000 1.991 454 K HA -0.169 4.151 4.320 -0.000 0.000 0.212 454 K C 2.129 178.597 176.600 -0.220 0.000 1.049 454 K CA 1.491 57.711 56.287 -0.111 0.000 0.932 454 K CB -0.177 32.281 32.500 -0.070 0.000 0.717 454 K HN 0.137 nan 8.250 nan 0.000 0.441 455 A N 1.460 124.056 122.820 -0.375 0.000 1.851 455 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 455 A C 2.114 179.401 177.584 -0.496 0.000 1.195 455 A CA 1.629 53.305 52.037 -0.602 0.000 0.622 455 A CB -0.907 17.320 19.000 -1.288 0.000 0.831 455 A HN 0.423 nan 8.150 nan 0.000 0.444 456 L N 0.344 121.237 121.223 -0.550 0.000 2.043 456 L HA -0.124 4.215 4.340 -0.000 0.000 0.212 456 L C 2.402 179.134 176.870 -0.230 0.000 1.075 456 L CA 2.413 57.002 54.840 -0.417 0.000 0.752 456 L CB -1.220 40.591 42.059 -0.414 0.000 0.891 456 L HN 0.347 nan 8.230 nan 0.000 0.432 457 G N -1.107 107.583 108.800 -0.184 0.000 2.432 457 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 457 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 457 G C 1.670 176.501 174.900 -0.116 0.000 1.135 457 G CA 0.789 45.819 45.100 -0.117 0.000 0.767 457 G HN 0.447 nan 8.290 nan 0.000 0.550 458 K N -0.349 119.963 120.400 -0.148 0.000 2.288 458 K HA 0.200 4.520 4.320 -0.000 0.000 0.201 458 K C 1.696 178.224 176.600 -0.121 0.000 1.048 458 K CA 0.275 56.485 56.287 -0.129 0.000 0.956 458 K CB -0.022 32.389 32.500 -0.149 0.000 0.746 458 K HN 0.271 nan 8.250 nan 0.000 0.461 459 L N 0.267 121.406 121.223 -0.140 0.000 2.653 459 L HA 0.140 4.480 4.340 -0.000 0.000 0.231 459 L C -0.057 176.762 176.870 -0.085 0.000 1.153 459 L CA -0.044 54.727 54.840 -0.114 0.000 0.933 459 L CB 0.242 42.219 42.059 -0.136 0.000 1.175 459 L HN -0.056 nan 8.230 nan 0.000 0.473 481 S N 1.081 116.785 115.700 0.006 0.000 2.849 481 S HA 0.468 4.938 4.470 -0.000 0.000 0.244 481 S C 0.317 174.921 174.600 0.007 0.000 1.297 481 S CA -0.337 57.867 58.200 0.005 0.000 1.241 481 S CB -0.202 63.001 63.200 0.004 0.000 0.958 481 S HN 0.233 nan 8.310 nan 0.000 0.489 482 I N 2.603 123.178 120.570 0.008 0.000 2.627 482 I HA 0.395 4.565 4.170 -0.000 0.000 0.288 482 I C -0.525 175.597 176.117 0.009 0.000 1.202 482 I CA -1.041 60.265 61.300 0.009 0.000 1.050 482 I CB 2.200 40.207 38.000 0.011 0.000 1.264 482 I HN 0.478 nan 8.210 nan 0.000 0.429 483 I N 2.680 123.256 120.570 0.010 0.000 2.377 483 I HA 0.957 5.127 4.170 -0.000 0.000 0.293 483 I C 0.128 176.254 176.117 0.014 0.000 0.987 483 I CA -0.404 60.902 61.300 0.010 0.000 1.185 483 I CB 2.002 40.008 38.000 0.009 0.000 1.341 483 I HN 0.566 nan 8.210 nan 0.000 0.455 484 G N 5.301 114.110 108.800 0.014 0.000 2.667 484 G HA2 0.677 4.637 3.960 -0.000 0.000 0.298 484 G HA3 0.677 4.637 3.960 -0.000 0.000 0.298 484 G C -1.594 173.318 174.900 0.020 0.000 1.377 484 G CA -0.914 44.198 45.100 0.021 0.000 0.964 484 G HN 0.882 nan 8.290 nan 0.000 0.493 485 K N 0.853 121.269 120.400 0.026 0.000 2.527 485 K HA 0.644 4.964 4.320 -0.000 0.000 0.260 485 K C -1.500 175.119 176.600 0.031 0.000 0.937 485 K CA -1.005 55.297 56.287 0.024 0.000 0.826 485 K CB 2.380 34.892 32.500 0.020 0.000 1.359 485 K HN 0.349 nan 8.250 nan 0.000 0.434 486 L N 2.278 123.519 121.223 0.031 0.000 2.289 486 L HA 0.474 4.814 4.340 -0.000 0.000 0.285 486 L C -0.348 176.533 176.870 0.018 0.000 1.049 486 L CA -0.612 54.246 54.840 0.031 0.000 0.804 486 L CB 1.283 43.365 42.059 0.040 0.000 1.195 486 L HN 0.581 nan 8.230 nan 0.000 0.428 487 K N 2.512 122.916 120.400 0.007 0.000 2.422 487 K HA 0.495 4.815 4.320 -0.000 0.000 0.251 487 K C -1.194 175.397 176.600 -0.015 0.000 0.933 487 K CA -0.835 55.451 56.287 -0.001 0.000 0.798 487 K CB 2.984 35.484 32.500 -0.000 0.000 1.238 487 K HN 0.195 nan 8.250 nan 0.000 0.428 488 V N 1.606 121.510 119.914 -0.017 0.000 2.686 488 V HA 0.397 4.517 4.120 -0.000 0.000 0.295 488 V C -0.006 176.072 176.094 -0.026 0.000 1.055 488 V CA -0.311 61.974 62.300 -0.026 0.000 1.050 488 V CB 1.245 33.055 31.823 -0.022 0.000 0.984 488 V HN 0.896 nan 8.190 nan 0.000 0.482 489 A N 3.448 126.249 122.820 -0.033 0.000 2.359 489 A HA 0.876 5.196 4.320 -0.000 0.000 0.303 489 A C 0.188 177.757 177.584 -0.025 0.000 1.066 489 A CA 0.113 52.133 52.037 -0.028 0.000 0.730 489 A CB 1.100 20.081 19.000 -0.032 0.000 1.211 489 A HN 2.103 nan 8.150 nan 0.000 0.439 490 G N 1.326 110.115 108.800 -0.019 0.000 2.795 490 G HA2 0.208 4.168 3.960 -0.000 0.000 0.664 490 G HA3 0.208 4.168 3.960 -0.000 0.000 0.664 490 G C -0.068 174.823 174.900 -0.014 0.000 1.381 490 G CA -0.231 44.860 45.100 -0.015 0.000 0.853 490 G HN 2.133 nan 8.290 nan 0.000 0.545 491 M N -0.115 119.479 119.600 -0.010 0.000 2.144 491 M HA 0.701 5.181 4.480 -0.000 0.000 0.356 491 M C 0.118 176.418 176.300 -0.001 0.000 1.217 491 M CA -0.638 54.656 55.300 -0.010 0.000 1.087 491 M CB 1.018 33.610 32.600 -0.012 0.000 1.609 491 M HN 0.432 nan 8.290 nan 0.000 0.467 492 L N 4.339 125.560 121.223 -0.004 0.000 2.360 492 L HA 0.688 5.028 4.340 -0.000 0.000 0.276 492 L C 0.064 176.946 176.870 0.020 0.000 1.121 492 L CA -0.220 54.621 54.840 0.002 0.000 0.845 492 L CB 0.736 42.787 42.059 -0.013 0.000 1.143 492 L HN 1.002 nan 8.230 nan 0.000 0.452 493 A N 3.091 125.942 122.820 0.052 0.000 2.555 493 A HA 0.482 4.802 4.320 -0.000 0.000 0.297 493 A C -0.870 176.817 177.584 0.173 0.000 1.060 493 A CA -0.566 51.519 52.037 0.079 0.000 0.710 493 A CB 1.248 20.273 19.000 0.041 0.000 1.282 493 A HN 0.273 nan 8.150 nan 0.000 0.399 494 V N 2.533 122.595 119.914 0.246 0.000 2.434 494 V HA 0.446 4.566 4.120 -0.000 0.000 0.281 494 V C 1.450 177.759 176.094 0.358 0.000 1.005 494 V CA 2.137 64.709 62.300 0.453 0.000 1.089 494 V CB -0.032 32.158 31.823 0.611 0.000 0.978 494 V HN 2.192 nan 8.190 nan 0.000 0.474 495 G N 4.768 113.673 108.800 0.175 0.000 2.617 495 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.197 495 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.197 495 G C 0.263 175.087 174.900 -0.126 0.000 1.017 495 G CA -0.387 44.533 45.100 -0.300 0.000 0.713 495 G HN 0.542 nan 8.290 nan 0.000 0.481 496 K N 1.325 121.779 120.400 0.089 0.000 2.109 496 K HA 0.534 4.853 4.320 -0.000 0.000 0.243 496 K C 0.363 177.098 176.600 0.226 0.000 1.006 496 K CA -0.287 56.062 56.287 0.104 0.000 0.917 496 K CB 1.009 33.553 32.500 0.074 0.000 1.081 496 K HN 0.544 nan 8.250 nan 0.000 0.468 497 E N 0.004 120.304 120.200 0.167 0.000 2.319 497 E HA 0.224 4.573 4.350 -0.000 0.000 0.268 497 E C -0.858 175.834 176.600 0.153 0.000 1.050 497 E CA -0.844 55.681 56.400 0.209 0.000 0.878 497 E CB 1.069 30.841 29.700 0.120 0.000 1.066 497 E HN 0.021 nan 8.360 nan 0.000 0.406 498 V N 2.990 122.995 119.914 0.153 0.000 2.498 498 V HA 0.201 4.321 4.120 -0.000 0.000 0.279 498 V C -0.291 175.771 176.094 -0.053 0.000 1.048 498 V CA -0.629 61.678 62.300 0.012 0.000 0.967 498 V CB 0.775 32.561 31.823 -0.061 0.000 0.988 498 V HN 0.689 nan 8.190 nan 0.000 0.473 499 N N 4.651 123.312 118.700 -0.066 0.000 2.504 499 N HA 0.586 5.326 4.740 -0.000 0.000 0.280 499 N C -1.184 174.267 175.510 -0.097 0.000 1.052 499 N CA -0.404 52.592 53.050 -0.091 0.000 0.887 499 N CB 2.438 40.893 38.487 -0.053 0.000 1.323 499 N HN 0.368 nan 8.380 nan 0.000 0.509 500 L N 1.248 122.387 121.223 -0.140 0.000 2.230 500 L HA 0.687 5.027 4.340 -0.000 0.000 0.255 500 L C -0.684 176.124 176.870 -0.104 0.000 1.039 500 L CA -0.913 53.861 54.840 -0.110 0.000 0.846 500 L CB 2.114 44.101 42.059 -0.120 0.000 1.419 500 L HN 0.175 nan 8.230 nan 0.000 0.435 501 V N 1.558 121.438 119.914 -0.058 0.000 2.752 501 V HA 0.331 4.451 4.120 -0.000 0.000 0.302 501 V C -1.162 174.941 176.094 0.015 0.000 1.133 501 V CA -0.611 61.670 62.300 -0.031 0.000 0.919 501 V CB 1.916 33.727 31.823 -0.019 0.000 1.026 501 V HN 0.506 nan 8.190 nan 0.000 0.429 502 L N 6.171 127.432 121.223 0.063 0.000 2.295 502 L HA 0.508 4.848 4.340 -0.000 0.000 0.288 502 L C -0.490 176.434 176.870 0.089 0.000 1.079 502 L CA 0.439 55.339 54.840 0.100 0.000 0.830 502 L CB 0.277 42.445 42.059 0.182 0.000 1.200 502 L HN 0.575 nan 8.230 nan 0.000 0.438 503 L N 5.810 127.068 121.223 0.057 0.000 2.290 503 L HA 0.364 4.704 4.340 -0.000 0.000 0.284 503 L C -0.567 176.330 176.870 0.045 0.000 1.078 503 L CA -0.304 54.564 54.840 0.047 0.000 0.815 503 L CB 1.139 43.216 42.059 0.031 0.000 1.162 503 L HN 0.517 nan 8.230 nan 0.000 0.435 504 L N 4.544 125.794 121.223 0.045 0.000 2.371 504 L HA 0.605 4.945 4.340 -0.000 0.000 0.262 504 L C -0.530 176.357 176.870 0.028 0.000 1.006 504 L CA -0.386 54.475 54.840 0.036 0.000 0.818 504 L CB 2.058 44.140 42.059 0.039 0.000 1.354 504 L HN 0.439 nan 8.230 nan 0.000 0.415 505 K N 1.371 121.784 120.400 0.021 0.000 2.527 505 K HA 0.478 4.798 4.320 -0.000 0.000 0.260 505 K C -1.545 175.064 176.600 0.014 0.000 0.937 505 K CA -0.756 55.541 56.287 0.017 0.000 0.826 505 K CB 1.824 34.333 32.500 0.015 0.000 1.359 505 K HN 0.527 nan 8.250 nan 0.000 0.434 506 N N 3.926 122.633 118.700 0.012 0.000 2.501 506 N HA 0.212 4.952 4.740 -0.000 0.000 0.245 506 N C -0.297 175.217 175.510 0.008 0.000 0.974 506 N CA -0.414 52.642 53.050 0.010 0.000 0.941 506 N CB 0.854 39.347 38.487 0.010 0.000 1.122 506 N HN 0.499 nan 8.380 nan 0.000 0.507 507 L N 1.227 122.455 121.223 0.007 0.000 2.591 507 L HA 0.245 4.585 4.340 -0.000 0.000 0.228 507 L C 0.936 177.808 176.870 0.005 0.000 1.133 507 L CA 0.400 55.243 54.840 0.006 0.000 0.880 507 L CB -1.074 40.988 42.059 0.005 0.000 1.033 507 L HN 0.471 nan 8.230 nan 0.000 0.450 508 S N 0.416 116.119 115.700 0.005 0.000 2.562 508 S HA 0.228 4.698 4.470 -0.000 0.000 0.275 508 S C 1.248 175.850 174.600 0.004 0.000 1.281 508 S CA -0.705 57.498 58.200 0.004 0.000 1.045 508 S CB 0.641 63.843 63.200 0.004 0.000 0.962 508 S HN 0.464 nan 8.310 nan 0.000 0.503 509 R N 2.067 122.569 120.500 0.003 0.000 2.541 509 R HA 0.271 4.611 4.340 -0.000 0.000 0.245 509 R C -0.592 175.710 176.300 0.003 0.000 1.154 509 R CA -0.258 55.844 56.100 0.003 0.000 1.179 509 R CB -0.552 29.749 30.300 0.002 0.000 1.189 509 R HN 0.384 nan 8.270 nan 0.000 0.526 510 D N 0.605 121.007 120.400 0.003 0.000 2.934 510 D HA 0.143 4.783 4.640 -0.000 0.000 0.230 510 D C -0.808 175.494 176.300 0.003 0.000 1.204 510 D CA -0.607 53.394 54.000 0.003 0.000 0.873 510 D CB 2.171 42.972 40.800 0.002 0.000 1.645 510 D HN -0.075 nan 8.370 nan 0.000 0.502 511 T N 3.640 118.196 114.554 0.004 0.000 2.928 511 T HA 0.226 4.576 4.350 -0.000 0.000 0.305 511 T C -0.018 174.684 174.700 0.004 0.000 1.035 511 T CA 0.027 62.129 62.100 0.004 0.000 1.145 511 T CB 0.414 69.284 68.868 0.004 0.000 0.963 511 T HN 0.121 nan 8.240 nan 0.000 0.545 512 K N 2.134 122.537 120.400 0.005 0.000 2.426 512 K HA 0.425 4.745 4.320 -0.000 0.000 0.251 512 K C -0.487 176.115 176.600 0.004 0.000 0.941 512 K CA -0.721 55.569 56.287 0.004 0.000 0.808 512 K CB 2.166 34.669 32.500 0.005 0.000 1.265 512 K HN 0.408 nan 8.250 nan 0.000 0.432 513 T N 1.349 115.905 114.554 0.002 0.000 2.832 513 T HA 0.239 4.589 4.350 -0.000 0.000 0.313 513 T C -0.613 174.087 174.700 0.001 0.000 1.035 513 T CA -0.389 61.712 62.100 0.001 0.000 0.950 513 T CB 0.450 69.318 68.868 0.000 0.000 0.984 513 T HN 0.245 nan 8.240 nan 0.000 0.486 514 V N 5.697 125.611 119.914 -0.000 0.000 2.398 514 V HA 0.717 4.837 4.120 -0.000 0.000 0.286 514 V C 0.049 176.137 176.094 -0.009 0.000 1.026 514 V CA -0.514 61.785 62.300 -0.001 0.000 0.868 514 V CB 1.620 33.444 31.823 0.002 0.000 0.982 514 V HN 0.953 nan 8.190 nan 0.000 0.443 515 T N 4.246 118.797 114.554 -0.006 0.000 2.758 515 T HA 0.713 5.062 4.350 -0.000 0.000 0.285 515 T C -0.656 174.036 174.700 -0.014 0.000 0.981 515 T CA -0.624 61.467 62.100 -0.014 0.000 0.965 515 T CB 1.189 70.054 68.868 -0.004 0.000 0.927 515 T HN 0.511 nan 8.240 nan 0.000 0.448 516 V N 4.219 124.109 119.914 -0.039 0.000 2.435 516 V HA 0.496 4.616 4.120 -0.000 0.000 0.290 516 V C -0.351 175.728 176.094 -0.026 0.000 1.030 516 V CA -0.981 61.300 62.300 -0.032 0.000 0.881 516 V CB 1.398 33.184 31.823 -0.060 0.000 0.983 516 V HN 0.877 nan 8.190 nan 0.000 0.445 517 N N 5.276 123.983 118.700 0.011 0.000 2.407 517 N HA 0.694 5.434 4.740 -0.000 0.000 0.277 517 N C -0.910 174.636 175.510 0.060 0.000 0.995 517 N CA -0.343 52.719 53.050 0.019 0.000 0.903 517 N CB 2.114 40.619 38.487 0.031 0.000 1.218 517 N HN 0.594 nan 8.380 nan 0.000 0.487 518 M N 0.458 120.092 119.600 0.056 0.000 2.644 518 M HA 0.539 5.019 4.480 -0.000 0.000 0.304 518 M C 0.064 176.423 176.300 0.098 0.000 1.215 518 M CA -0.692 54.704 55.300 0.160 0.000 0.871 518 M CB 2.522 35.340 32.600 0.363 0.000 1.740 518 M HN 0.512 nan 8.290 nan 0.000 0.464 519 T N -1.149 113.584 114.554 0.299 0.000 2.821 519 T HA 0.908 5.258 4.350 -0.000 0.000 0.306 519 T C -1.655 173.367 174.700 0.536 0.000 1.313 519 T CA -0.935 61.363 62.100 0.330 0.000 1.012 519 T CB 1.923 71.028 68.868 0.395 0.000 1.298 519 T HN 0.917 nan 8.240 nan 0.000 0.502 520 A N 0.976 124.089 122.820 0.488 0.000 2.375 520 A HA 0.695 5.015 4.320 -0.000 0.000 0.295 520 A C -1.835 175.921 177.584 0.286 0.000 1.066 520 A CA -0.881 51.421 52.037 0.442 0.000 0.722 520 A CB 0.714 19.986 19.000 0.453 0.000 1.206 520 A HN 0.720 nan 8.150 nan 0.000 0.435 521 W N 1.460 122.863 121.300 0.171 0.000 2.702 521 W HA 0.557 5.217 4.660 -0.000 0.000 0.331 521 W C 0.517 177.117 176.519 0.136 0.000 1.049 521 W CA -0.117 57.306 57.345 0.129 0.000 1.230 521 W CB 2.092 31.603 29.460 0.086 0.000 1.408 521 W HN 0.759 nan 8.180 nan 0.000 0.492 522 T N 1.625 116.387 114.554 0.347 0.000 2.907 522 T HA 0.709 5.059 4.350 -0.000 0.000 0.298 522 T C -0.193 174.685 174.700 0.297 0.000 1.017 522 T CA -0.410 61.864 62.100 0.290 0.000 1.118 522 T CB 0.829 69.872 68.868 0.292 0.000 0.948 522 T HN 0.445 nan 8.240 nan 0.000 0.531 523 I N -1.123 119.588 120.570 0.235 0.000 3.279 523 I HA 0.699 4.869 4.170 -0.000 0.000 0.315 523 I C -1.330 174.896 176.117 0.182 0.000 1.187 523 I CA -1.818 59.596 61.300 0.189 0.000 0.953 523 I CB 1.825 39.913 38.000 0.145 0.000 1.279 523 I HN 0.385 nan 8.210 nan 0.000 0.465 524 I N 1.800 122.451 120.570 0.135 0.000 2.676 524 I HA 0.188 4.358 4.170 -0.000 0.000 0.309 524 I C 0.833 177.009 176.117 0.098 0.000 0.990 524 I CA -0.498 60.909 61.300 0.179 0.000 1.168 524 I CB 1.313 39.408 38.000 0.158 0.000 1.343 524 I HN 0.949 nan 8.210 nan 0.000 0.482 525 Y N 2.905 123.245 120.300 0.066 0.000 2.465 525 Y HA -0.224 4.326 4.550 -0.000 0.000 0.289 525 Y C 1.613 177.390 175.900 -0.205 0.000 1.150 525 Y CA 1.595 59.677 58.100 -0.030 0.000 1.293 525 Y CB -0.847 37.546 38.460 -0.113 0.000 0.977 525 Y HN 0.735 nan 8.280 nan 0.000 0.556 526 N N -0.498 117.530 118.700 -1.119 0.000 2.463 526 N HA 0.181 4.921 4.740 -0.000 0.000 0.181 526 N C 1.601 176.626 175.510 -0.808 0.000 1.078 526 N CA 0.624 52.716 53.050 -1.597 0.000 0.902 526 N CB 0.155 37.194 38.487 -2.412 0.000 0.970 526 N HN 0.500 nan 8.380 nan 0.000 0.451 527 G N -0.350 108.212 108.800 -0.396 0.000 2.428 527 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.199 527 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.199 527 G C 0.087 174.892 174.900 -0.159 0.000 1.005 527 G CA -0.028 44.952 45.100 -0.198 0.000 0.671 527 G HN 0.321 nan 8.290 nan 0.000 0.485 528 T N 3.033 117.470 114.554 -0.194 0.000 2.709 528 T HA 0.294 4.644 4.350 -0.000 0.000 0.269 528 T C 0.817 175.505 174.700 -0.019 0.000 1.008 528 T CA 0.502 62.541 62.100 -0.101 0.000 1.194 528 T CB 0.102 68.932 68.868 -0.062 0.000 0.986 528 T HN 0.381 nan 8.240 nan 0.000 0.508 529 L N 4.761 125.963 121.223 -0.034 0.000 2.319 529 L HA 0.198 4.537 4.340 -0.000 0.000 0.280 529 L C 1.453 178.441 176.870 0.195 0.000 1.099 529 L CA -0.575 54.294 54.840 0.049 0.000 0.828 529 L CB 0.747 42.675 42.059 -0.219 0.000 1.150 529 L HN 0.474 nan 8.230 nan 0.000 0.442 530 V N 2.123 122.225 119.914 0.314 0.000 2.391 530 V HA 0.085 4.205 4.120 -0.000 0.000 0.237 530 V C 0.405 176.717 176.094 0.363 0.000 1.046 530 V CA 0.771 63.249 62.300 0.297 0.000 1.053 530 V CB -0.094 31.890 31.823 0.269 0.000 0.704 530 V HN 0.774 nan 8.190 nan 0.000 0.475 531 H N -0.425 118.746 119.070 0.168 0.000 3.014 531 H HA 0.308 4.863 4.556 -0.000 0.000 0.337 531 H C -1.310 173.592 175.328 -0.710 0.000 1.320 531 H CA -0.591 55.265 56.048 -0.321 0.000 1.128 531 H CB 2.082 31.440 29.762 -0.674 0.000 1.862 531 H HN 0.368 nan 8.280 nan 0.000 0.536 532 E N 2.254 121.582 120.200 -1.454 0.000 2.167 532 E HA 0.298 4.648 4.350 -0.000 0.000 0.284 532 E C 0.233 176.587 176.600 -0.411 0.000 1.016 532 E CA -0.423 55.187 56.400 -1.316 0.000 0.817 532 E CB 1.036 29.808 29.700 -1.546 0.000 1.080 532 E HN 0.423 nan 8.360 nan 0.000 0.397 533 V N 2.172 122.010 119.914 -0.127 0.000 3.621 533 V HA 0.365 4.485 4.120 -0.000 0.000 0.263 533 V C 0.058 176.292 176.094 0.234 0.000 1.272 533 V CA -0.267 62.113 62.300 0.133 0.000 1.080 533 V CB -0.379 31.611 31.823 0.279 0.000 0.816 533 V HN 0.639 nan 8.190 nan 0.000 0.451 534 W N 1.077 122.356 121.300 -0.035 0.000 3.256 534 W HA 0.692 5.352 4.660 -0.000 0.000 0.324 534 W C -0.986 175.533 176.519 0.001 0.000 1.196 534 W CA -0.895 56.458 57.345 0.013 0.000 1.206 534 W CB 1.679 31.180 29.460 0.067 0.000 1.385 534 W HN -0.001 nan 8.180 nan 0.000 0.522 535 K N 4.230 124.135 120.400 -0.825 0.000 2.502 535 K HA 0.610 4.930 4.320 -0.000 0.000 0.257 535 K C -2.093 173.831 176.600 -1.126 0.000 0.938 535 K CA -0.485 55.339 56.287 -0.771 0.000 0.819 535 K CB 2.234 34.514 32.500 -0.367 0.000 1.333 535 K HN 0.476 nan 8.250 nan 0.000 0.434 536 D N 0.380 120.296 120.400 -0.806 0.000 2.842 536 D HA 0.295 4.935 4.640 -0.000 0.000 0.248 536 D C -1.873 174.293 176.300 -0.223 0.000 1.140 536 D CA -0.127 53.570 54.000 -0.504 0.000 0.728 536 D CB 1.848 42.313 40.800 -0.558 0.000 1.595 536 D HN 0.435 nan 8.370 nan 0.000 0.450 537 S N 0.200 115.835 115.700 -0.108 0.000 2.667 537 S HA 1.066 5.536 4.470 -0.000 0.000 0.292 537 S C -1.391 173.157 174.600 -0.086 0.000 1.126 537 S CA -0.320 57.834 58.200 -0.077 0.000 0.881 537 S CB 1.914 65.078 63.200 -0.060 0.000 1.132 537 S HN 0.948 nan 8.310 nan 0.000 0.492 538 A N 1.177 123.926 122.820 -0.118 0.000 2.562 538 A HA 0.587 4.907 4.320 -0.000 0.000 0.305 538 A C -0.933 176.587 177.584 -0.107 0.000 1.059 538 A CA -0.646 51.309 52.037 -0.137 0.000 0.835 538 A CB 0.734 19.553 19.000 -0.301 0.000 1.299 538 A HN 0.515 nan 8.150 nan 0.000 0.392 539 T N 3.973 118.492 114.554 -0.059 0.000 2.767 539 T HA 0.689 5.039 4.350 -0.000 0.000 0.284 539 T C 0.120 174.803 174.700 -0.027 0.000 0.973 539 T CA -0.122 61.956 62.100 -0.037 0.000 0.996 539 T CB 0.608 69.464 68.868 -0.020 0.000 0.927 539 T HN 0.869 nan 8.240 nan 0.000 0.456 540 M N 0.684 120.271 119.600 -0.022 0.000 2.619 540 M HA 0.726 5.206 4.480 -0.000 0.000 0.297 540 M C -0.608 175.692 176.300 -0.000 0.000 1.229 540 M CA -0.969 54.327 55.300 -0.007 0.000 0.860 540 M CB 2.355 34.952 32.600 -0.005 0.000 1.741 540 M HN 0.381 nan 8.290 nan 0.000 0.462 541 S N 2.541 118.245 115.700 0.006 0.000 2.528 541 S HA 0.561 5.030 4.470 -0.000 0.000 0.303 541 S C -0.881 173.725 174.600 0.010 0.000 1.123 541 S CA -0.722 57.481 58.200 0.007 0.000 1.138 541 S CB -0.087 63.117 63.200 0.007 0.000 0.984 541 S HN 0.687 nan 8.310 nan 0.000 0.474 542 L N 4.779 126.008 121.223 0.010 0.000 2.281 542 L HA 0.396 4.736 4.340 -0.000 0.000 0.285 542 L C 0.538 177.414 176.870 0.010 0.000 1.074 542 L CA -0.622 54.226 54.840 0.012 0.000 0.817 542 L CB 0.581 42.647 42.059 0.013 0.000 1.168 542 L HN 0.526 nan 8.230 nan 0.000 0.434 543 D N 4.519 124.925 120.400 0.010 0.000 2.360 543 D HA 0.184 4.824 4.640 -0.000 0.000 0.242 543 D C -2.217 174.088 176.300 0.008 0.000 1.184 543 D CA -1.107 52.898 54.000 0.008 0.000 0.930 543 D CB 0.756 41.561 40.800 0.009 0.000 1.161 543 D HN 0.204 nan 8.370 nan 0.000 0.447 544 P HA -0.074 nan 4.420 nan 0.000 0.263 544 P C 0.390 177.695 177.300 0.007 0.000 1.175 544 P CA 0.892 63.996 63.100 0.006 0.000 0.761 544 P CB 0.426 32.129 31.700 0.005 0.000 0.794 545 E N 0.303 120.507 120.200 0.007 0.000 3.904 545 E HA -0.310 4.040 4.350 -0.000 0.000 0.316 545 E C 0.237 176.843 176.600 0.010 0.000 0.643 545 E CA 1.687 58.092 56.400 0.008 0.000 1.129 545 E CB -1.639 28.065 29.700 0.007 0.000 1.635 545 E HN 0.701 nan 8.360 nan 0.000 0.424 546 E N 0.889 121.095 120.200 0.011 0.000 2.481 546 E HA 0.001 4.351 4.350 -0.000 0.000 0.263 546 E C -0.431 176.179 176.600 0.016 0.000 0.992 546 E CA 0.577 56.985 56.400 0.013 0.000 0.938 546 E CB 0.388 30.096 29.700 0.014 0.000 0.933 546 E HN 0.235 nan 8.360 nan 0.000 0.453 547 E N 1.133 121.343 120.200 0.018 0.000 2.195 547 E HA 0.605 4.955 4.350 -0.000 0.000 0.271 547 E C -1.188 175.428 176.600 0.028 0.000 0.923 547 E CA -0.891 55.522 56.400 0.021 0.000 0.790 547 E CB 1.963 31.674 29.700 0.019 0.000 1.155 547 E HN 0.557 nan 8.360 nan 0.000 0.402 548 A N 2.461 125.302 122.820 0.035 0.000 2.479 548 A HA 0.592 4.912 4.320 -0.000 0.000 0.296 548 A C -1.100 176.519 177.584 0.059 0.000 1.121 548 A CA -0.708 51.358 52.037 0.048 0.000 0.743 548 A CB 1.379 20.410 19.000 0.051 0.000 1.323 548 A HN 0.645 nan 8.150 nan 0.000 0.415 549 E N 1.123 121.367 120.200 0.075 0.000 2.621 549 E HA 0.173 4.523 4.350 -0.000 0.000 0.263 549 E C -1.707 174.963 176.600 0.117 0.000 1.033 549 E CA -0.377 56.070 56.400 0.078 0.000 0.778 549 E CB 1.258 30.985 29.700 0.044 0.000 1.426 549 E HN 0.691 nan 8.360 nan 0.000 0.394 550 H N 4.131 123.230 119.070 0.048 0.000 2.782 550 H HA 0.182 4.738 4.556 -0.000 0.000 0.285 550 H C -2.225 173.143 175.328 0.067 0.000 1.093 550 H CA -1.888 54.201 56.048 0.069 0.000 1.410 550 H CB 0.706 30.523 29.762 0.092 0.000 1.439 550 H HN 0.193 nan 8.280 nan 0.000 0.469 551 P HA 0.120 nan 4.420 nan 0.000 0.275 551 P C -0.616 176.464 177.300 -0.366 0.000 1.227 551 P CA -0.022 62.923 63.100 -0.259 0.000 0.781 551 P CB 1.502 33.109 31.700 -0.155 0.000 0.906 552 I N 2.816 123.209 120.570 -0.296 0.000 2.411 552 I HA 0.346 4.516 4.170 -0.000 0.000 0.284 552 I C 0.391 176.225 176.117 -0.472 0.000 1.012 552 I CA -0.539 60.458 61.300 -0.505 0.000 1.119 552 I CB 1.773 39.414 38.000 -0.598 0.000 1.261 552 I HN 0.220 nan 8.210 nan 0.000 0.448 553 K N 8.088 128.230 120.400 -0.429 0.000 2.413 553 K HA 0.663 4.983 4.320 -0.000 0.000 0.257 553 K C -1.465 174.978 176.600 -0.262 0.000 0.946 553 K CA -0.504 55.632 56.287 -0.251 0.000 0.823 553 K CB 1.626 34.079 32.500 -0.078 0.000 1.109 553 K HN 0.569 nan 8.250 nan 0.000 0.427 554 I N 3.732 124.199 120.570 -0.171 0.000 2.410 554 I HA 0.140 4.310 4.170 -0.000 0.000 0.286 554 I C 0.247 176.470 176.117 0.177 0.000 1.009 554 I CA -0.825 60.481 61.300 0.011 0.000 1.111 554 I CB 1.950 39.976 38.000 0.042 0.000 1.262 554 I HN 0.652 nan 8.210 nan 0.000 0.443 555 S N 4.856 120.647 115.700 0.152 0.000 2.603 555 S HA 0.097 4.567 4.470 -0.000 0.000 0.268 555 S C 0.986 175.571 174.600 -0.026 0.000 1.317 555 S CA -0.242 58.024 58.200 0.109 0.000 1.012 555 S CB 0.963 64.202 63.200 0.065 0.000 0.926 555 S HN 0.639 nan 8.310 nan 0.000 0.539 556 Y N 2.437 122.593 120.300 -0.242 0.000 2.128 556 Y HA -0.110 4.440 4.550 -0.000 0.000 0.284 556 Y C 2.489 178.019 175.900 -0.617 0.000 1.154 556 Y CA 1.957 59.656 58.100 -0.669 0.000 1.149 556 Y CB -1.216 37.075 38.460 -0.280 0.000 0.976 556 Y HN 0.847 nan 8.280 nan 0.000 0.505 557 A N 0.280 122.880 122.820 -0.367 0.000 1.948 557 A HA -0.295 4.025 4.320 -0.000 0.000 0.220 557 A C 2.158 179.552 177.584 -0.317 0.000 1.177 557 A CA 2.111 53.929 52.037 -0.365 0.000 0.636 557 A CB -0.807 18.111 19.000 -0.135 0.000 0.815 557 A HN 0.712 nan 8.150 nan 0.000 0.449 558 Q N -1.722 117.964 119.800 -0.191 0.000 2.020 558 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 558 Q C 2.016 178.034 176.000 0.029 0.000 0.982 558 Q CA 2.030 57.822 55.803 -0.018 0.000 0.838 558 Q CB -0.339 28.475 28.738 0.128 0.000 0.899 558 Q HN 1.043 nan 8.270 nan 0.000 0.423 559 Y N 0.002 120.318 120.300 0.027 0.000 2.510 559 Y HA 0.146 4.696 4.550 -0.000 0.000 0.273 559 Y C 1.745 177.613 175.900 -0.054 0.000 1.119 559 Y CA 0.571 58.710 58.100 0.065 0.000 1.286 559 Y CB -0.534 37.990 38.460 0.107 0.000 1.061 559 Y HN 0.128 nan 8.280 nan 0.000 0.542 560 E N 1.676 121.542 120.200 -0.557 0.000 2.130 560 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 560 E C 1.852 178.245 176.600 -0.344 0.000 0.998 560 E CA 1.942 58.015 56.400 -0.545 0.000 0.806 560 E CB -0.387 28.566 29.700 -1.246 0.000 0.738 560 E HN 0.492 nan 8.360 nan 0.000 0.459 561 R N -0.818 119.409 120.500 -0.455 0.000 2.120 561 R HA -0.095 4.244 4.340 -0.000 0.000 0.234 561 R C 0.991 176.807 176.300 -0.807 0.000 1.123 561 R CA 1.646 57.309 56.100 -0.727 0.000 0.975 561 R CB -0.183 29.438 30.300 -1.132 0.000 0.866 561 R HN 0.416 nan 8.270 nan 0.000 0.446 562 Y N -0.769 119.496 120.300 -0.058 0.000 2.557 562 Y HA 0.225 4.775 4.550 -0.000 0.000 0.247 562 Y C 0.049 176.007 175.900 0.097 0.000 1.164 562 Y CA -0.878 57.221 58.100 -0.002 0.000 1.218 562 Y CB 0.342 38.787 38.460 -0.024 0.000 1.210 562 Y HN -0.073 nan 8.280 nan 0.000 0.529 563 L N 2.277 123.634 121.223 0.222 0.000 2.367 563 L HA 0.312 4.652 4.340 -0.000 0.000 0.275 563 L C -0.269 176.719 176.870 0.196 0.000 1.129 563 L CA -0.187 54.800 54.840 0.246 0.000 0.839 563 L CB 0.313 42.568 42.059 0.326 0.000 1.133 563 L HN -0.093 nan 8.230 nan 0.000 0.453 564 K N 2.081 122.607 120.400 0.211 0.000 2.267 564 K HA 0.346 4.666 4.320 -0.000 0.000 0.236 564 K C 1.329 178.066 176.600 0.229 0.000 1.030 564 K CA 0.232 56.648 56.287 0.216 0.000 0.930 564 K CB 1.148 33.794 32.500 0.243 0.000 1.182 564 K HN 0.701 nan 8.250 nan 0.000 0.474 565 S N 0.100 115.947 115.700 0.245 0.000 2.423 565 S HA -0.212 4.258 4.470 -0.000 0.000 0.238 565 S C 0.974 175.699 174.600 0.209 0.000 1.028 565 S CA 1.728 60.056 58.200 0.214 0.000 1.000 565 S CB -0.297 63.016 63.200 0.187 0.000 0.797 565 S HN 0.475 nan 8.310 nan 0.000 0.487 566 D N 2.061 122.606 120.400 0.243 0.000 2.178 566 D HA -0.082 4.558 4.640 -0.000 0.000 0.201 566 D C 0.211 176.629 176.300 0.197 0.000 0.980 566 D CA 0.982 55.126 54.000 0.241 0.000 0.842 566 D CB -0.511 40.466 40.800 0.296 0.000 0.948 566 D HN 0.408 nan 8.370 nan 0.000 0.472 567 N N -0.139 118.675 118.700 0.190 0.000 2.754 567 N HA -0.174 4.566 4.740 -0.000 0.000 0.248 567 N C -0.578 175.004 175.510 0.121 0.000 1.093 567 N CA 0.658 53.801 53.050 0.155 0.000 0.699 567 N CB -1.565 37.010 38.487 0.147 0.000 1.016 567 N HN 0.385 nan 8.380 nan 0.000 0.552 568 M N 0.323 120.011 119.600 0.146 0.000 2.456 568 M HA 0.574 5.054 4.480 -0.000 0.000 0.324 568 M C -0.044 176.333 176.300 0.128 0.000 1.124 568 M CA -0.444 54.938 55.300 0.137 0.000 0.959 568 M CB 2.142 34.852 32.600 0.184 0.000 1.692 568 M HN -0.058 nan 8.290 nan 0.000 0.444 569 I N 1.576 122.210 120.570 0.105 0.000 2.534 569 I HA 0.419 4.589 4.170 -0.000 0.000 0.288 569 I C -0.577 175.632 176.117 0.153 0.000 1.077 569 I CA -0.777 60.600 61.300 0.128 0.000 1.051 569 I CB 2.339 40.373 38.000 0.056 0.000 1.234 569 I HN 0.634 nan 8.210 nan 0.000 0.425 570 R N 6.632 127.261 120.500 0.215 0.000 2.196 570 R HA 0.453 4.793 4.340 -0.000 0.000 0.340 570 R C -0.971 175.484 176.300 0.258 0.000 1.043 570 R CA -0.284 55.948 56.100 0.220 0.000 0.883 570 R CB 0.311 30.742 30.300 0.219 0.000 1.078 570 R HN 0.416 nan 8.270 nan 0.000 0.462 571 I N 4.411 125.104 120.570 0.204 0.000 2.331 571 I HA 0.299 4.469 4.170 -0.000 0.000 0.292 571 I C -0.017 176.228 176.117 0.214 0.000 0.998 571 I CA -0.207 61.222 61.300 0.214 0.000 1.267 571 I CB 1.296 39.371 38.000 0.125 0.000 1.386 571 I HN 0.639 nan 8.210 nan 0.000 0.476 572 T N 4.823 119.532 114.554 0.259 0.000 2.907 572 T HA 0.815 5.165 4.350 -0.000 0.000 0.292 572 T C -0.511 174.286 174.700 0.162 0.000 1.043 572 T CA -0.714 61.490 62.100 0.174 0.000 1.003 572 T CB 2.415 71.413 68.868 0.217 0.000 1.084 572 T HN 0.700 nan 8.240 nan 0.000 0.483 573 A N 1.889 124.744 122.820 0.059 0.000 2.476 573 A HA 0.647 4.967 4.320 -0.000 0.000 0.280 573 A C -1.012 176.570 177.584 -0.004 0.000 1.081 573 A CA -0.573 51.509 52.037 0.075 0.000 0.753 573 A CB 0.949 20.016 19.000 0.112 0.000 1.248 573 A HN 0.646 nan 8.150 nan 0.000 0.424 574 V N 2.222 122.137 119.914 0.002 0.000 2.333 574 V HA 0.312 4.432 4.120 -0.000 0.000 0.274 574 V C -0.056 176.048 176.094 0.017 0.000 1.028 574 V CA -0.468 61.823 62.300 -0.016 0.000 0.851 574 V CB 0.651 32.471 31.823 -0.004 0.000 1.000 574 V HN 0.954 nan 8.190 nan 0.000 0.456 575 C N 4.908 124.216 119.300 0.013 0.000 2.341 575 C HA 0.831 5.291 4.460 -0.000 0.000 0.338 575 C C 0.099 175.106 174.990 0.029 0.000 1.257 575 C CA -0.978 58.051 59.018 0.019 0.000 1.883 575 C CB 0.852 28.601 27.740 0.014 0.000 2.334 575 C HN 0.899 nan 8.230 nan 0.000 0.524 576 K N 1.791 122.208 120.400 0.029 0.000 2.535 576 K HA 0.687 5.007 4.320 -0.000 0.000 0.250 576 K C -1.584 175.029 176.600 0.022 0.000 0.948 576 K CA -0.220 56.089 56.287 0.036 0.000 0.796 576 K CB 1.137 33.670 32.500 0.056 0.000 1.216 576 K HN 0.513 nan 8.250 nan 0.000 0.432 577 V N 5.782 125.707 119.914 0.019 0.000 2.483 577 V HA 0.509 4.629 4.120 -0.000 0.000 0.295 577 V C -2.151 173.947 176.094 0.007 0.000 1.035 577 V CA -2.347 59.959 62.300 0.010 0.000 0.896 577 V CB 1.510 33.338 31.823 0.008 0.000 0.986 577 V HN 0.807 nan 8.190 nan 0.000 0.447 578 P HA 0.032 nan 4.420 nan 0.000 0.263 578 P C 0.057 177.352 177.300 -0.009 0.000 1.168 578 P CA 0.797 63.894 63.100 -0.005 0.000 0.759 578 P CB 0.174 31.870 31.700 -0.006 0.000 0.782 579 D N -0.605 119.785 120.400 -0.017 0.000 3.006 579 D HA -0.203 4.437 4.640 -0.000 0.000 0.208 579 D C -0.081 176.209 176.300 -0.017 0.000 1.116 579 D CA 1.572 55.558 54.000 -0.022 0.000 0.998 579 D CB -1.151 39.637 40.800 -0.019 0.000 1.124 579 D HN 0.552 nan 8.370 nan 0.000 0.413 580 E N -0.162 120.035 120.200 -0.006 0.000 2.202 580 E HA 0.539 4.889 4.350 -0.000 0.000 0.272 580 E C -0.069 176.541 176.600 0.017 0.000 0.951 580 E CA -0.594 55.809 56.400 0.004 0.000 0.813 580 E CB 1.215 30.920 29.700 0.008 0.000 1.151 580 E HN -0.015 nan 8.360 nan 0.000 0.398 581 S N 1.730 117.446 115.700 0.026 0.000 2.587 581 S HA 0.023 4.493 4.470 -0.000 0.000 0.260 581 S C -0.055 174.590 174.600 0.075 0.000 1.353 581 S CA -0.385 57.852 58.200 0.061 0.000 0.995 581 S CB 0.374 63.609 63.200 0.059 0.000 0.912 581 S HN 0.370 nan 8.310 nan 0.000 0.568 582 E N 0.309 120.584 120.200 0.124 0.000 2.349 582 E HA 0.370 4.720 4.350 -0.000 0.000 0.265 582 E C -0.966 175.662 176.600 0.047 0.000 1.064 582 E CA -0.258 56.201 56.400 0.098 0.000 0.886 582 E CB 0.663 30.451 29.700 0.147 0.000 1.036 582 E HN 0.241 nan 8.360 nan 0.000 0.413 583 V N 3.114 123.041 119.914 0.021 0.000 2.275 583 V HA 0.157 4.276 4.120 -0.000 0.000 0.272 583 V C -0.680 175.394 176.094 -0.033 0.000 1.028 583 V CA -0.744 61.554 62.300 -0.004 0.000 0.810 583 V CB 1.071 32.895 31.823 0.002 0.000 1.043 583 V HN 0.413 nan 8.190 nan 0.000 0.453 584 V N 6.116 125.985 119.914 -0.074 0.000 2.370 584 V HA 0.201 4.321 4.120 -0.000 0.000 0.257 584 V C 0.249 176.254 176.094 -0.149 0.000 1.064 584 V CA -0.196 62.006 62.300 -0.164 0.000 0.975 584 V CB 1.109 32.771 31.823 -0.268 0.000 1.067 584 V HN 0.569 nan 8.190 nan 0.000 0.485 585 V N 6.320 126.170 119.914 -0.107 0.000 2.383 585 V HA 0.446 4.566 4.120 -0.000 0.000 0.275 585 V C 0.158 176.218 176.094 -0.057 0.000 1.036 585 V CA -0.563 61.704 62.300 -0.055 0.000 0.889 585 V CB 1.205 33.025 31.823 -0.004 0.000 0.985 585 V HN 1.002 nan 8.190 nan 0.000 0.459 586 E N 4.620 124.804 120.200 -0.027 0.000 2.288 586 E HA 0.899 5.249 4.350 -0.000 0.000 0.268 586 E C -0.860 175.781 176.600 0.068 0.000 0.885 586 E CA -1.346 55.070 56.400 0.028 0.000 0.767 586 E CB 2.890 32.620 29.700 0.050 0.000 1.220 586 E HN 0.422 nan 8.360 nan 0.000 0.427 587 R N 1.654 122.212 120.500 0.096 0.000 2.572 587 R HA 0.223 4.563 4.340 -0.000 0.000 0.273 587 R C -2.135 174.228 176.300 0.105 0.000 1.168 587 R CA -0.325 55.828 56.100 0.089 0.000 1.021 587 R CB 0.920 31.257 30.300 0.062 0.000 1.249 587 R HN 0.552 nan 8.270 nan 0.000 0.423 588 D N 4.927 125.395 120.400 0.112 0.000 2.210 588 D HA 0.383 5.023 4.640 -0.000 0.000 0.249 588 D C 0.221 176.576 176.300 0.092 0.000 1.078 588 D CA -0.082 53.990 54.000 0.120 0.000 0.875 588 D CB 1.230 42.118 40.800 0.147 0.000 1.175 588 D HN 0.554 nan 8.370 nan 0.000 0.440 589 I N -1.402 119.215 120.570 0.077 0.000 2.693 589 I HA 0.588 4.758 4.170 -0.000 0.000 0.303 589 I C -0.603 175.546 176.117 0.052 0.000 1.025 589 I CA -0.982 60.346 61.300 0.046 0.000 1.086 589 I CB 1.936 39.940 38.000 0.007 0.000 1.268 589 I HN 0.087 nan 8.210 nan 0.000 0.440 590 I N 4.963 125.558 120.570 0.042 0.000 2.418 590 I HA 0.349 4.519 4.170 -0.000 0.000 0.287 590 I C -1.041 175.092 176.117 0.026 0.000 1.008 590 I CA -0.696 60.635 61.300 0.052 0.000 1.104 590 I CB 1.926 39.967 38.000 0.068 0.000 1.264 590 I HN 0.394 nan 8.210 nan 0.000 0.438 591 L N 5.940 127.179 121.223 0.026 0.000 2.289 591 L HA 0.343 4.683 4.340 -0.000 0.000 0.285 591 L C 0.113 177.018 176.870 0.058 0.000 1.049 591 L CA -0.133 54.723 54.840 0.027 0.000 0.804 591 L CB 0.610 42.675 42.059 0.011 0.000 1.195 591 L HN 0.436 nan 8.230 nan 0.000 0.428 592 D N 2.394 122.819 120.400 0.043 0.000 2.345 592 D HA 0.103 4.743 4.640 -0.000 0.000 0.247 592 D C -0.048 176.280 176.300 0.045 0.000 1.108 592 D CA -0.121 53.900 54.000 0.033 0.000 0.894 592 D CB 0.885 41.688 40.800 0.005 0.000 1.203 592 D HN 0.403 nan 8.370 nan 0.000 0.430 593 N N 2.042 120.760 118.700 0.031 0.000 2.503 593 N HA 0.196 4.935 4.740 -0.000 0.000 0.267 593 N C -2.100 173.355 175.510 -0.092 0.000 1.214 593 N CA -0.832 52.212 53.050 -0.010 0.000 0.959 593 N CB 0.532 39.025 38.487 0.009 0.000 1.142 593 N HN 0.207 nan 8.380 nan 0.000 0.455 594 P HA 0.015 nan 4.420 nan 0.000 0.270 594 P C -0.365 176.897 177.300 -0.064 0.000 1.223 594 P CA 0.023 63.007 63.100 -0.193 0.000 0.785 594 P CB 0.213 31.693 31.700 -0.367 0.000 0.923 595 T N 1.562 116.063 114.554 -0.087 0.000 2.940 595 T HA 0.225 4.575 4.350 -0.000 0.000 0.309 595 T C 0.167 174.889 174.700 0.035 0.000 1.056 595 T CA 0.284 62.358 62.100 -0.042 0.000 1.137 595 T CB -0.054 68.768 68.868 -0.077 0.000 0.976 595 T HN 0.282 nan 8.240 nan 0.000 0.547 596 L N 3.313 124.561 121.223 0.043 0.000 2.381 596 L HA 0.588 4.928 4.340 -0.000 0.000 0.274 596 L C -0.411 176.463 176.870 0.006 0.000 0.988 596 L CA -0.063 54.810 54.840 0.056 0.000 0.824 596 L CB 2.009 44.079 42.059 0.019 0.000 1.263 596 L HN 0.670 nan 8.230 nan 0.000 0.410 597 T N 5.287 119.838 114.554 -0.005 0.000 2.908 597 T HA 0.695 5.045 4.350 -0.000 0.000 0.290 597 T C -0.691 174.010 174.700 0.001 0.000 1.034 597 T CA -0.529 61.564 62.100 -0.012 0.000 1.010 597 T CB 1.581 70.430 68.868 -0.031 0.000 1.068 597 T HN 0.463 nan 8.240 nan 0.000 0.481 598 L N 1.948 123.171 121.223 0.001 0.000 2.365 598 L HA 0.650 4.989 4.340 -0.000 0.000 0.273 598 L C -0.293 176.562 176.870 -0.025 0.000 1.000 598 L CA -0.735 54.109 54.840 0.007 0.000 0.819 598 L CB 2.057 44.138 42.059 0.037 0.000 1.284 598 L HN 0.638 nan 8.230 nan 0.000 0.418 599 E N 1.661 121.828 120.200 -0.055 0.000 2.321 599 E HA 0.423 4.773 4.350 -0.000 0.000 0.278 599 E C -1.340 175.201 176.600 -0.098 0.000 0.902 599 E CA -0.795 55.565 56.400 -0.067 0.000 0.758 599 E CB 3.184 32.844 29.700 -0.066 0.000 1.213 599 E HN 0.344 nan 8.360 nan 0.000 0.426 600 V N 1.053 120.921 119.914 -0.076 0.000 2.407 600 V HA 0.260 4.380 4.120 -0.000 0.000 0.278 600 V C 0.566 176.615 176.094 -0.074 0.000 1.037 600 V CA -0.716 61.535 62.300 -0.082 0.000 0.900 600 V CB 0.814 32.606 31.823 -0.052 0.000 0.983 600 V HN 0.667 nan 8.190 nan 0.000 0.459 601 L N 3.847 125.019 121.223 -0.086 0.000 2.591 601 L HA 0.292 4.631 4.340 -0.000 0.000 0.228 601 L C 0.625 177.465 176.870 -0.050 0.000 1.133 601 L CA 0.648 55.447 54.840 -0.068 0.000 0.880 601 L CB -1.960 40.053 42.059 -0.077 0.000 1.033 601 L HN 1.099 nan 8.230 nan 0.000 0.450 602 N N -1.792 116.881 118.700 -0.045 0.000 3.344 602 N HA 0.163 4.903 4.740 -0.000 0.000 0.296 602 N C -0.705 174.789 175.510 -0.026 0.000 1.571 602 N CA -0.798 52.232 53.050 -0.032 0.000 0.844 602 N CB 0.924 39.394 38.487 -0.029 0.000 1.718 602 N HN -0.054 nan 8.380 nan 0.000 0.589 603 E N -0.423 119.766 120.200 -0.019 0.000 2.259 603 E HA 0.485 4.835 4.350 -0.000 0.000 0.281 603 E C -0.771 175.823 176.600 -0.011 0.000 1.037 603 E CA -0.741 55.651 56.400 -0.014 0.000 0.854 603 E CB 0.728 30.422 29.700 -0.011 0.000 1.051 603 E HN 0.634 nan 8.360 nan 0.000 0.409 604 A N 5.371 128.185 122.820 -0.010 0.000 2.362 604 A HA 0.352 4.672 4.320 -0.000 0.000 0.276 604 A C -0.066 177.517 177.584 -0.001 0.000 1.153 604 A CA -0.118 51.916 52.037 -0.005 0.000 0.813 604 A CB 0.403 19.401 19.000 -0.003 0.000 1.081 604 A HN 0.707 nan 8.150 nan 0.000 0.507 605 R N 2.343 122.844 120.500 0.002 0.000 2.698 605 R HA 0.510 4.850 4.340 -0.000 0.000 0.275 605 R C -1.257 175.047 176.300 0.006 0.000 1.001 605 R CA -0.715 55.387 56.100 0.003 0.000 0.896 605 R CB 1.781 32.082 30.300 0.002 0.000 1.218 605 R HN 0.513 nan 8.270 nan 0.000 0.462 606 V N 5.062 124.980 119.914 0.007 0.000 2.644 606 V HA -0.065 4.055 4.120 -0.000 0.000 0.305 606 V C 1.160 177.260 176.094 0.010 0.000 1.053 606 V CA 0.913 63.217 62.300 0.008 0.000 1.186 606 V CB 0.552 32.379 31.823 0.006 0.000 0.895 606 V HN 0.967 nan 8.190 nan 0.000 0.490 607 R N 0.678 121.185 120.500 0.012 0.000 3.977 607 R HA -0.176 4.164 4.340 -0.000 0.000 0.428 607 R C 0.063 176.371 176.300 0.013 0.000 1.079 607 R CA 1.396 57.504 56.100 0.013 0.000 1.269 607 R CB -0.819 29.489 30.300 0.012 0.000 1.856 607 R HN 0.761 nan 8.270 nan 0.000 0.551 608 K N 0.506 120.913 120.400 0.012 0.000 2.259 608 K HA 0.407 4.727 4.320 -0.000 0.000 0.252 608 K C -2.644 173.962 176.600 0.011 0.000 0.936 608 K CA -2.073 54.220 56.287 0.010 0.000 0.810 608 K CB 2.015 34.519 32.500 0.006 0.000 1.143 608 K HN -0.257 nan 8.250 nan 0.000 0.427 609 P HA -0.010 nan 4.420 nan 0.000 0.268 609 P C -1.120 176.182 177.300 0.003 0.000 1.205 609 P CA -0.314 62.793 63.100 0.012 0.000 0.771 609 P CB 0.657 32.364 31.700 0.012 0.000 0.858 610 V N 3.595 123.509 119.914 0.001 0.000 2.488 610 V HA 0.359 4.478 4.120 -0.000 0.000 0.293 610 V C -1.065 175.001 176.094 -0.047 0.000 1.027 610 V CA -0.770 61.519 62.300 -0.020 0.000 0.862 610 V CB 1.102 32.917 31.823 -0.014 0.000 1.008 610 V HN 0.401 nan 8.190 nan 0.000 0.428 611 N N 4.954 123.610 118.700 -0.073 0.000 2.520 611 N HA 0.594 5.334 4.740 -0.000 0.000 0.273 611 N C -0.578 174.798 175.510 -0.223 0.000 1.155 611 N CA -0.169 52.802 53.050 -0.132 0.000 0.967 611 N CB 1.690 40.117 38.487 -0.101 0.000 1.092 611 N HN 0.544 nan 8.380 nan 0.000 0.457 612 V N 0.866 120.513 119.914 -0.444 0.000 3.040 612 V HA 0.550 4.670 4.120 -0.000 0.000 0.312 612 V C -0.651 175.000 176.094 -0.738 0.000 1.115 612 V CA -0.945 61.001 62.300 -0.591 0.000 0.998 612 V CB 1.960 33.330 31.823 -0.755 0.000 1.042 612 V HN 0.759 nan 8.190 nan 0.000 0.433 613 Q N 2.422 121.951 119.800 -0.452 0.000 2.289 613 Q HA 0.649 4.989 4.340 -0.000 0.000 0.270 613 Q C -1.120 174.826 176.000 -0.089 0.000 1.038 613 Q CA -0.704 54.942 55.803 -0.261 0.000 0.812 613 Q CB 2.655 31.307 28.738 -0.143 0.000 1.300 613 Q HN 0.735 nan 8.270 nan 0.000 0.427 614 M N 4.420 124.053 119.600 0.055 0.000 2.277 614 M HA 0.477 4.957 4.480 -0.000 0.000 0.350 614 M C -1.984 174.333 176.300 0.029 0.000 1.180 614 M CA -0.508 54.851 55.300 0.098 0.000 1.103 614 M CB 0.779 33.499 32.600 0.199 0.000 1.577 614 M HN 0.881 nan 8.290 nan 0.000 0.459 615 L N 5.543 126.763 121.223 -0.005 0.000 2.385 615 L HA 0.628 4.968 4.340 -0.000 0.000 0.273 615 L C -1.445 175.407 176.870 -0.030 0.000 0.990 615 L CA -0.582 54.241 54.840 -0.029 0.000 0.821 615 L CB 2.192 44.224 42.059 -0.045 0.000 1.279 615 L HN 0.736 nan 8.230 nan 0.000 0.412 616 F N 1.312 121.109 119.950 -0.256 0.000 2.591 616 F HA 0.623 5.150 4.527 -0.000 0.000 0.309 616 F C -0.859 174.810 175.800 -0.219 0.000 1.098 616 F CA -0.355 57.438 58.000 -0.344 0.000 0.937 616 F CB 2.355 40.922 39.000 -0.722 0.000 1.250 616 F HN 0.281 nan 8.300 nan 0.000 0.447 617 S N 3.753 118.727 115.700 -1.211 0.000 2.561 617 S HA 0.275 4.745 4.470 -0.000 0.000 0.303 617 S C -1.165 172.833 174.600 -1.003 0.000 1.110 617 S CA -0.698 57.022 58.200 -0.800 0.000 1.034 617 S CB 1.157 64.080 63.200 -0.462 0.000 1.010 617 S HN 0.598 nan 8.310 nan 0.000 0.482 618 N N 4.319 122.750 118.700 -0.448 0.000 2.402 618 N HA 0.249 4.989 4.740 -0.000 0.000 0.252 618 N C -1.464 173.997 175.510 -0.081 0.000 1.118 618 N CA -1.975 51.008 53.050 -0.112 0.000 0.945 618 N CB 0.916 39.487 38.487 0.139 0.000 1.147 618 N HN 0.259 nan 8.380 nan 0.000 0.495 619 P HA -0.001 nan 4.420 nan 0.000 0.245 619 P C 0.103 177.395 177.300 -0.013 0.000 1.206 619 P CA 0.410 63.477 63.100 -0.055 0.000 0.781 619 P CB 0.508 32.161 31.700 -0.078 0.000 0.994 620 L N 0.150 121.401 121.223 0.047 0.000 2.479 620 L HA 0.207 4.547 4.340 -0.000 0.000 0.249 620 L C 1.583 178.450 176.870 -0.004 0.000 1.178 620 L CA -0.348 54.481 54.840 -0.018 0.000 0.811 620 L CB 0.138 42.198 42.059 0.003 0.000 1.187 620 L HN -0.253 nan 8.230 nan 0.000 0.480 621 D N -0.543 119.852 120.400 -0.008 0.000 2.333 621 D HA -0.013 4.627 4.640 -0.000 0.000 0.208 621 D C 0.394 176.708 176.300 0.022 0.000 0.984 621 D CA 0.507 54.512 54.000 0.007 0.000 0.873 621 D CB 0.421 41.227 40.800 0.010 0.000 0.935 621 D HN 0.617 nan 8.370 nan 0.000 0.521 622 E N 1.484 121.704 120.200 0.034 0.000 2.222 622 E HA 0.444 4.794 4.350 -0.000 0.000 0.267 622 E C -2.743 173.888 176.600 0.052 0.000 0.963 622 E CA -2.123 54.299 56.400 0.037 0.000 0.837 622 E CB 2.030 31.752 29.700 0.037 0.000 1.183 622 E HN -0.192 nan 8.360 nan 0.000 0.403 623 P HA 0.048 nan 4.420 nan 0.000 0.276 623 P C -0.143 177.210 177.300 0.088 0.000 1.244 623 P CA -0.514 62.633 63.100 0.078 0.000 0.801 623 P CB 1.213 32.950 31.700 0.063 0.000 1.006 624 V N 0.353 120.355 119.914 0.146 0.000 2.481 624 V HA 0.714 4.834 4.120 -0.000 0.000 0.286 624 V C 0.219 176.381 176.094 0.113 0.000 1.042 624 V CA -0.706 61.684 62.300 0.150 0.000 0.928 624 V CB 0.940 32.949 31.823 0.310 0.000 0.986 624 V HN 0.718 nan 8.190 nan 0.000 0.462 625 R N 1.407 121.938 120.500 0.052 0.000 2.867 625 R HA 0.657 4.997 4.340 -0.000 0.000 0.268 625 R C -1.110 175.175 176.300 -0.025 0.000 1.014 625 R CA -0.576 55.537 56.100 0.022 0.000 0.946 625 R CB 1.431 31.738 30.300 0.011 0.000 1.208 625 R HN 0.639 nan 8.270 nan 0.000 0.477 626 D N -0.025 120.350 120.400 -0.042 0.000 2.767 626 D HA -0.112 4.528 4.640 -0.000 0.000 0.239 626 D C -0.835 175.370 176.300 -0.160 0.000 1.103 626 D CA 0.367 54.318 54.000 -0.082 0.000 0.710 626 D CB -1.715 39.040 40.800 -0.075 0.000 1.084 626 D HN 0.586 nan 8.370 nan 0.000 0.435 627 C N 0.667 119.864 119.300 -0.171 0.000 2.464 627 C HA 0.517 4.976 4.460 -0.000 0.000 0.370 627 C C 1.035 175.805 174.990 -0.366 0.000 1.267 627 C CA -0.821 57.967 59.018 -0.383 0.000 1.781 627 C CB 0.373 28.007 27.740 -0.177 0.000 2.431 627 C HN 0.175 nan 8.230 nan 0.000 0.556 628 V N 5.530 125.138 119.914 -0.510 0.000 2.540 628 V HA 0.459 4.579 4.120 -0.000 0.000 0.302 628 V C -0.151 175.749 176.094 -0.323 0.000 1.035 628 V CA -0.468 61.641 62.300 -0.318 0.000 0.873 628 V CB 1.727 33.403 31.823 -0.245 0.000 0.992 628 V HN 0.799 nan 8.190 nan 0.000 0.428 629 L N 5.832 126.973 121.223 -0.135 0.000 2.307 629 L HA 0.636 4.976 4.340 -0.000 0.000 0.284 629 L C -0.984 175.827 176.870 -0.098 0.000 1.023 629 L CA -0.431 54.392 54.840 -0.029 0.000 0.810 629 L CB 1.547 43.655 42.059 0.082 0.000 1.231 629 L HN 0.559 nan 8.230 nan 0.000 0.423 630 M N 6.027 125.568 119.600 -0.098 0.000 2.134 630 M HA 0.413 4.893 4.480 -0.000 0.000 0.310 630 M C -0.938 175.287 176.300 -0.126 0.000 0.966 630 M CA -0.526 54.698 55.300 -0.126 0.000 0.922 630 M CB 1.611 34.134 32.600 -0.129 0.000 1.537 630 M HN 0.212 nan 8.290 nan 0.000 0.424 631 V N 3.805 123.610 119.914 -0.181 0.000 2.604 631 V HA 0.658 4.778 4.120 -0.000 0.000 0.305 631 V C -0.202 175.804 176.094 -0.147 0.000 1.043 631 V CA -0.480 61.708 62.300 -0.187 0.000 0.888 631 V CB 2.361 33.953 31.823 -0.385 0.000 0.995 631 V HN 0.947 nan 8.190 nan 0.000 0.429 632 E N 2.816 122.956 120.200 -0.099 0.000 2.425 632 E HA 0.837 5.187 4.350 -0.000 0.000 0.272 632 E C -0.511 176.054 176.600 -0.059 0.000 1.061 632 E CA -0.912 55.439 56.400 -0.082 0.000 0.877 632 E CB 2.297 31.938 29.700 -0.100 0.000 1.590 632 E HN 1.169 nan 8.360 nan 0.000 0.462 633 G N 0.368 109.136 108.800 -0.053 0.000 2.177 633 G HA2 0.182 4.142 3.960 -0.000 0.000 0.202 633 G HA3 0.182 4.142 3.960 -0.000 0.000 0.202 633 G C -0.910 173.988 174.900 -0.005 0.000 1.581 633 G CA -0.519 44.560 45.100 -0.035 0.000 0.983 633 G HN 0.411 nan 8.290 nan 0.000 0.689 634 S N 0.442 116.146 115.700 0.007 0.000 2.525 634 S HA 0.457 4.927 4.470 -0.000 0.000 0.285 634 S C 1.627 176.255 174.600 0.047 0.000 1.283 634 S CA 1.712 59.939 58.200 0.044 0.000 1.072 634 S CB 1.033 64.286 63.200 0.090 0.000 0.867 634 S HN 2.430 nan 8.310 nan 0.000 0.492 635 G N 2.310 111.136 108.800 0.043 0.000 2.213 635 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.236 635 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.236 635 G C 0.505 175.422 174.900 0.028 0.000 0.991 635 G CA 0.286 45.405 45.100 0.032 0.000 0.629 635 G HN 0.599 nan 8.290 nan 0.000 0.517 636 L N -0.681 120.561 121.223 0.031 0.000 2.609 636 L HA 0.598 4.938 4.340 -0.000 0.000 0.230 636 L C 0.980 177.875 176.870 0.041 0.000 1.064 636 L CA 0.323 55.185 54.840 0.037 0.000 0.873 636 L CB 0.331 42.415 42.059 0.042 0.000 1.139 636 L HN 0.160 nan 8.230 nan 0.000 0.490 637 L N -0.324 120.917 121.223 0.029 0.000 2.479 637 L HA 0.461 4.801 4.340 -0.000 0.000 0.255 637 L C -1.279 175.602 176.870 0.017 0.000 1.026 637 L CA -0.638 54.215 54.840 0.022 0.000 0.842 637 L CB 3.079 45.141 42.059 0.004 0.000 1.444 637 L HN -0.136 nan 8.230 nan 0.000 0.409 638 L N 1.492 122.724 121.223 0.014 0.000 2.276 638 L HA 0.647 4.987 4.340 -0.000 0.000 0.286 638 L C 0.704 177.576 176.870 0.003 0.000 1.024 638 L CA -0.079 54.771 54.840 0.016 0.000 0.826 638 L CB 0.954 43.025 42.059 0.021 0.000 1.211 638 L HN 0.912 nan 8.230 nan 0.000 0.422 639 G N 3.491 112.293 108.800 0.003 0.000 2.553 639 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.242 639 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.242 639 G C -0.594 174.288 174.900 -0.031 0.000 1.277 639 G CA -0.431 44.664 45.100 -0.008 0.000 0.910 639 G HN 0.672 nan 8.290 nan 0.000 0.576 640 N N -0.111 118.567 118.700 -0.036 0.000 2.372 640 N HA 0.527 5.267 4.740 -0.000 0.000 0.291 640 N C -1.012 174.450 175.510 -0.080 0.000 1.024 640 N CA -0.632 52.382 53.050 -0.061 0.000 0.873 640 N CB 1.568 40.029 38.487 -0.044 0.000 1.206 640 N HN 0.815 nan 8.380 nan 0.000 0.486 641 L N 3.091 124.238 121.223 -0.126 0.000 2.272 641 L HA 0.464 4.804 4.340 -0.000 0.000 0.289 641 L C -0.172 176.597 176.870 -0.168 0.000 1.032 641 L CA -0.236 54.508 54.840 -0.160 0.000 0.810 641 L CB 0.572 42.477 42.059 -0.256 0.000 1.205 641 L HN 0.452 nan 8.230 nan 0.000 0.422 642 K N 6.463 126.786 120.400 -0.127 0.000 2.235 642 K HA 0.559 4.879 4.320 -0.000 0.000 0.266 642 K C -1.495 175.044 176.600 -0.101 0.000 0.980 642 K CA -0.534 55.684 56.287 -0.114 0.000 0.849 642 K CB 0.935 33.381 32.500 -0.090 0.000 1.098 642 K HN 0.713 nan 8.250 nan 0.000 0.445 643 I N 3.460 123.973 120.570 -0.095 0.000 2.512 643 I HA 0.147 4.317 4.170 -0.000 0.000 0.287 643 I C -0.661 175.434 176.117 -0.036 0.000 1.069 643 I CA -0.944 60.324 61.300 -0.053 0.000 1.056 643 I CB 1.999 39.976 38.000 -0.038 0.000 1.229 643 I HN 0.415 nan 8.210 nan 0.000 0.429 644 D N 6.034 126.418 120.400 -0.026 0.000 2.351 644 D HA 0.296 4.936 4.640 -0.000 0.000 0.251 644 D C -0.365 175.944 176.300 0.015 0.000 1.137 644 D CA 0.094 54.079 54.000 -0.026 0.000 0.879 644 D CB 2.310 43.096 40.800 -0.023 0.000 1.181 644 D HN 0.054 nan 8.370 nan 0.000 0.448 645 V N 4.599 124.527 119.914 0.023 0.000 2.448 645 V HA 0.305 4.425 4.120 -0.000 0.000 0.295 645 V C -1.904 174.235 176.094 0.074 0.000 1.025 645 V CA -1.557 60.798 62.300 0.091 0.000 0.859 645 V CB 1.798 33.748 31.823 0.212 0.000 0.988 645 V HN 0.455 nan 8.190 nan 0.000 0.431 646 P HA 0.070 nan 4.420 nan 0.000 0.271 646 P C 0.075 177.427 177.300 0.086 0.000 1.233 646 P CA -0.091 63.046 63.100 0.062 0.000 0.789 646 P CB 0.307 32.039 31.700 0.054 0.000 0.951 647 T N 1.814 116.408 114.554 0.067 0.000 2.800 647 T HA -0.011 4.339 4.350 -0.000 0.000 0.283 647 T C 0.334 175.096 174.700 0.103 0.000 0.999 647 T CA 0.483 62.631 62.100 0.079 0.000 1.176 647 T CB -0.508 68.392 68.868 0.053 0.000 0.973 647 T HN 0.223 nan 8.240 nan 0.000 0.519 648 L N 5.052 126.365 121.223 0.149 0.000 2.272 648 L HA 0.621 4.961 4.340 -0.000 0.000 0.289 648 L C 0.744 177.691 176.870 0.128 0.000 1.032 648 L CA -0.008 54.926 54.840 0.157 0.000 0.810 648 L CB 0.670 42.879 42.059 0.249 0.000 1.205 648 L HN 0.688 nan 8.230 nan 0.000 0.422 649 G N 5.094 113.945 108.800 0.084 0.000 2.653 649 G HA2 0.367 4.327 3.960 -0.000 0.000 0.265 649 G HA3 0.367 4.327 3.960 -0.000 0.000 0.265 649 G C -2.604 172.331 174.900 0.059 0.000 1.237 649 G CA -1.010 44.128 45.100 0.064 0.000 0.946 649 G HN 0.583 nan 8.290 nan 0.000 0.522 650 P HA 0.098 nan 4.420 nan 0.000 0.268 650 P C -0.323 176.980 177.300 0.004 0.000 1.205 650 P CA 0.040 63.157 63.100 0.029 0.000 0.771 650 P CB 1.021 32.733 31.700 0.020 0.000 0.858 651 K N -1.166 119.224 120.400 -0.016 0.000 3.363 651 K HA -0.205 4.115 4.320 -0.000 0.000 0.313 651 K C 0.164 176.734 176.600 -0.050 0.000 1.259 651 K CA 1.244 57.505 56.287 -0.044 0.000 0.942 651 K CB -1.976 30.503 32.500 -0.034 0.000 1.229 651 K HN 0.654 nan 8.250 nan 0.000 0.440 652 E N 0.363 120.544 120.200 -0.032 0.000 2.250 652 E HA 0.400 4.750 4.350 -0.000 0.000 0.265 652 E C 0.073 176.641 176.600 -0.054 0.000 1.033 652 E CA -0.826 55.558 56.400 -0.027 0.000 0.888 652 E CB 1.407 31.112 29.700 0.009 0.000 1.151 652 E HN 0.136 nan 8.360 nan 0.000 0.412 653 R N 0.880 121.354 120.500 -0.044 0.000 2.494 653 R HA 0.287 4.627 4.340 -0.000 0.000 0.305 653 R C -0.994 175.303 176.300 -0.005 0.000 0.959 653 R CA -0.364 55.699 56.100 -0.062 0.000 0.864 653 R CB 1.753 32.004 30.300 -0.082 0.000 1.159 653 R HN 0.429 nan 8.270 nan 0.000 0.446 654 S N 2.777 118.491 115.700 0.023 0.000 2.525 654 S HA 0.382 4.851 4.470 -0.000 0.000 0.278 654 S C -0.603 174.017 174.600 0.035 0.000 1.234 654 S CA -0.630 57.610 58.200 0.067 0.000 1.058 654 S CB 0.672 63.953 63.200 0.136 0.000 0.983 654 S HN 0.564 nan 8.310 nan 0.000 0.495 655 R N 4.243 124.769 120.500 0.044 0.000 2.468 655 R HA 0.439 4.779 4.340 -0.000 0.000 0.302 655 R C -1.911 174.421 176.300 0.054 0.000 1.041 655 R CA -0.365 55.753 56.100 0.029 0.000 0.899 655 R CB 1.314 31.619 30.300 0.009 0.000 1.167 655 R HN 0.535 nan 8.270 nan 0.000 0.483 656 V N 5.149 125.109 119.914 0.077 0.000 2.417 656 V HA 0.508 4.628 4.120 -0.000 0.000 0.291 656 V C 0.303 176.459 176.094 0.104 0.000 1.024 656 V CA -0.723 61.652 62.300 0.126 0.000 0.861 656 V CB 1.930 33.876 31.823 0.205 0.000 0.985 656 V HN 0.541 nan 8.190 nan 0.000 0.436 657 R N 3.975 124.520 120.500 0.076 0.000 2.604 657 R HA 0.825 5.165 4.340 -0.000 0.000 0.287 657 R C -1.209 175.145 176.300 0.091 0.000 0.970 657 R CA -0.413 55.668 56.100 -0.032 0.000 0.946 657 R CB 1.983 32.259 30.300 -0.040 0.000 1.127 657 R HN 0.711 nan 8.270 nan 0.000 0.473 658 F N -1.441 118.513 119.950 0.007 0.000 2.719 658 F HA 0.448 4.975 4.527 -0.000 0.000 0.309 658 F C -1.704 174.099 175.800 0.004 0.000 1.138 658 F CA -1.398 56.606 58.000 0.007 0.000 0.943 658 F CB 1.177 40.182 39.000 0.009 0.000 1.304 658 F HN 0.237 nan 8.300 nan 0.000 0.445 659 D N 2.484 123.029 120.400 0.243 0.000 2.269 659 D HA 0.706 5.346 4.640 -0.000 0.000 0.244 659 D C -0.352 176.081 176.300 0.221 0.000 0.992 659 D CA -0.123 53.958 54.000 0.134 0.000 0.894 659 D CB 2.455 43.296 40.800 0.069 0.000 1.248 659 D HN 0.853 nan 8.370 nan 0.000 0.468 660 I N -2.142 118.516 120.570 0.146 0.000 2.934 660 I HA 0.633 4.803 4.170 -0.000 0.000 0.306 660 I C -1.517 174.643 176.117 0.072 0.000 1.110 660 I CA -1.201 60.179 61.300 0.134 0.000 1.019 660 I CB 2.256 40.354 38.000 0.162 0.000 1.227 660 I HN 0.073 nan 8.210 nan 0.000 0.434 661 L N 5.259 126.516 121.223 0.057 0.000 2.401 661 L HA 0.652 4.992 4.340 -0.000 0.000 0.263 661 L C -2.558 174.332 176.870 0.033 0.000 1.004 661 L CA -1.732 53.131 54.840 0.039 0.000 0.881 661 L CB 1.005 43.085 42.059 0.034 0.000 1.219 661 L HN 0.425 nan 8.230 nan 0.000 0.441 662 P HA 0.127 nan 4.420 nan 0.000 0.265 662 P C -0.115 177.197 177.300 0.020 0.000 1.187 662 P CA 0.326 63.441 63.100 0.024 0.000 0.766 662 P CB 0.690 32.401 31.700 0.019 0.000 0.820 663 S N 1.590 117.301 115.700 0.019 0.000 2.733 663 S HA 0.230 4.700 4.470 -0.000 0.000 0.247 663 S C 0.413 175.017 174.600 0.007 0.000 1.043 663 S CA -0.377 57.832 58.200 0.016 0.000 1.066 663 S CB 0.370 63.583 63.200 0.021 0.000 1.045 663 S HN 0.451 nan 8.310 nan 0.000 0.586 664 R N 1.662 122.164 120.500 0.004 0.000 2.584 664 R HA 0.494 4.834 4.340 -0.000 0.000 0.276 664 R C -1.206 175.092 176.300 -0.002 0.000 1.046 664 R CA -0.117 55.979 56.100 -0.007 0.000 0.906 664 R CB 1.796 32.084 30.300 -0.020 0.000 1.215 664 R HN 0.302 nan 8.270 nan 0.000 0.449 665 S N 1.618 117.315 115.700 -0.005 0.000 2.646 665 S HA 0.923 5.393 4.470 -0.000 0.000 0.276 665 S C 0.406 175.006 174.600 0.000 0.000 1.222 665 S CA 0.249 58.449 58.200 -0.000 0.000 1.014 665 S CB 1.806 65.007 63.200 0.001 0.000 0.991 665 S HN 1.160 nan 8.310 nan 0.000 0.533 666 G N 0.206 109.009 108.800 0.004 0.000 2.331 666 G HA2 0.085 4.045 3.960 -0.000 0.000 0.479 666 G HA3 0.085 4.045 3.960 -0.000 0.000 0.479 666 G C -0.672 174.234 174.900 0.009 0.000 1.262 666 G CA -0.563 44.541 45.100 0.007 0.000 1.029 666 G HN 0.978 nan 8.290 nan 0.000 0.487 667 T N 2.870 117.431 114.554 0.012 0.000 2.775 667 T HA 0.463 4.813 4.350 -0.000 0.000 0.287 667 T C 0.323 175.033 174.700 0.017 0.000 0.909 667 T CA -0.000 62.107 62.100 0.012 0.000 1.081 667 T CB 0.312 69.187 68.868 0.012 0.000 0.891 667 T HN 0.501 nan 8.240 nan 0.000 0.544 668 K N 2.684 123.093 120.400 0.015 0.000 2.123 668 K HA 0.376 4.696 4.320 -0.000 0.000 0.248 668 K C 0.008 176.615 176.600 0.012 0.000 0.969 668 K CA -0.757 55.541 56.287 0.018 0.000 0.882 668 K CB 1.373 33.885 32.500 0.019 0.000 1.080 668 K HN 0.516 nan 8.250 nan 0.000 0.441 669 Q N 2.133 121.939 119.800 0.009 0.000 2.363 669 Q HA 0.263 4.603 4.340 -0.000 0.000 0.265 669 Q C -1.413 174.582 176.000 -0.009 0.000 1.032 669 Q CA -0.801 54.999 55.803 -0.004 0.000 0.746 669 Q CB 1.069 29.797 28.738 -0.016 0.000 1.237 669 Q HN 0.410 nan 8.270 nan 0.000 0.475 670 L N 5.535 126.760 121.223 0.004 0.000 2.281 670 L HA 0.428 4.768 4.340 -0.000 0.000 0.285 670 L C -1.408 175.463 176.870 0.001 0.000 1.074 670 L CA 0.055 54.904 54.840 0.015 0.000 0.817 670 L CB 0.707 42.798 42.059 0.053 0.000 1.168 670 L HN 0.647 nan 8.230 nan 0.000 0.434 671 L N 5.105 126.315 121.223 -0.022 0.000 2.334 671 L HA 0.920 5.260 4.340 -0.000 0.000 0.272 671 L C -0.268 176.588 176.870 -0.024 0.000 1.020 671 L CA -0.774 54.045 54.840 -0.035 0.000 0.812 671 L CB 1.741 43.751 42.059 -0.081 0.000 1.264 671 L HN 0.753 nan 8.230 nan 0.000 0.439 672 A N 1.277 124.091 122.820 -0.010 0.000 2.488 672 A HA 0.569 4.889 4.320 -0.000 0.000 0.298 672 A C -1.769 175.820 177.584 0.009 0.000 1.044 672 A CA -0.482 51.556 52.037 0.001 0.000 0.693 672 A CB 1.846 20.874 19.000 0.047 0.000 1.272 672 A HN 0.710 nan 8.150 nan 0.000 0.402 673 D N 0.727 121.126 120.400 -0.002 0.000 2.502 673 D HA 0.592 5.232 4.640 -0.000 0.000 0.249 673 D C -1.544 174.774 176.300 0.031 0.000 1.092 673 D CA -0.031 53.970 54.000 0.001 0.000 0.839 673 D CB 0.855 41.624 40.800 -0.052 0.000 1.264 673 D HN 0.301 nan 8.370 nan 0.000 0.511 674 F N 3.282 123.158 119.950 -0.123 0.000 2.382 674 F HA 0.502 5.029 4.527 -0.000 0.000 0.361 674 F C -1.029 174.669 175.800 -0.170 0.000 1.109 674 F CA -0.431 57.464 58.000 -0.175 0.000 1.031 674 F CB 1.199 40.034 39.000 -0.276 0.000 1.234 674 F HN 0.188 nan 8.300 nan 0.000 0.445 675 S N 5.131 120.521 115.700 -0.517 0.000 2.482 675 S HA 0.737 5.207 4.470 -0.000 0.000 0.303 675 S C -0.823 173.486 174.600 -0.484 0.000 1.091 675 S CA -0.589 57.403 58.200 -0.347 0.000 1.057 675 S CB 0.978 64.047 63.200 -0.219 0.000 1.031 675 S HN 0.824 nan 8.310 nan 0.000 0.485 676 C N 2.177 121.324 119.300 -0.256 0.000 3.285 676 C HA 0.601 5.061 4.460 -0.000 0.000 0.320 676 C C 1.614 176.563 174.990 -0.069 0.000 1.411 676 C CA -0.953 57.956 59.018 -0.182 0.000 1.429 676 C CB 0.795 28.478 27.740 -0.096 0.000 1.812 676 C HN 0.870 nan 8.230 nan 0.000 0.454 677 N N 1.315 119.979 118.700 -0.059 0.000 2.192 677 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 677 N C 1.027 176.487 175.510 -0.083 0.000 1.013 677 N CA 1.647 54.662 53.050 -0.058 0.000 0.863 677 N CB -0.312 38.144 38.487 -0.052 0.000 0.990 677 N HN 0.740 nan 8.380 nan 0.000 0.430 678 K N -0.744 119.576 120.400 -0.134 0.000 2.352 678 K HA 0.166 4.486 4.320 -0.000 0.000 0.194 678 K C -0.302 176.001 176.600 -0.495 0.000 1.038 678 K CA 0.087 56.171 56.287 -0.338 0.000 1.023 678 K CB 0.415 32.629 32.500 -0.477 0.000 0.840 678 K HN 0.221 nan 8.250 nan 0.000 0.519 679 F N 2.693 122.700 119.950 0.095 0.000 2.809 679 F HA 0.237 4.764 4.527 -0.000 0.000 0.369 679 F C -2.361 173.456 175.800 0.029 0.000 1.225 679 F CA -2.090 55.968 58.000 0.098 0.000 1.201 679 F CB 1.705 40.788 39.000 0.138 0.000 1.527 679 F HN -0.187 nan 8.300 nan 0.000 0.565 680 P HA 0.150 nan 4.420 nan 0.000 0.276 680 P C 0.046 177.402 177.300 0.093 0.000 1.230 680 P CA 0.296 63.448 63.100 0.087 0.000 0.776 680 P CB 1.583 33.337 31.700 0.091 0.000 0.888 681 A N 3.567 126.402 122.820 0.025 0.000 2.136 681 A HA -0.179 4.141 4.320 -0.000 0.000 0.274 681 A C 0.157 177.774 177.584 0.055 0.000 1.388 681 A CA 0.328 52.380 52.037 0.025 0.000 0.741 681 A CB -2.406 16.613 19.000 0.032 0.000 1.173 681 A HN 0.487 nan 8.150 nan 0.000 0.329 682 I N 2.338 122.944 120.570 0.060 0.000 2.365 682 I HA 0.274 4.444 4.170 -0.000 0.000 0.291 682 I C 0.666 176.807 176.117 0.040 0.000 1.004 682 I CA -0.367 60.963 61.300 0.050 0.000 1.311 682 I CB 1.209 39.222 38.000 0.023 0.000 1.401 682 I HN 0.403 nan 8.210 nan 0.000 0.491 683 K N 5.615 126.026 120.400 0.019 0.000 2.156 683 K HA 0.847 5.167 4.320 -0.000 0.000 0.254 683 K C -0.854 175.749 176.600 0.005 0.000 0.950 683 K CA -0.741 55.552 56.287 0.011 0.000 0.849 683 K CB 2.457 34.953 32.500 -0.006 0.000 1.100 683 K HN 0.641 nan 8.250 nan 0.000 0.434 684 A N 2.593 125.417 122.820 0.007 0.000 2.422 684 A HA 0.678 4.998 4.320 -0.000 0.000 0.302 684 A C -1.148 176.436 177.584 -0.000 0.000 1.041 684 A CA -0.797 51.243 52.037 0.005 0.000 0.708 684 A CB 1.568 20.580 19.000 0.020 0.000 1.257 684 A HN 0.824 nan 8.150 nan 0.000 0.414 685 M N 2.745 122.340 119.600 -0.009 0.000 2.393 685 M HA 0.777 5.257 4.480 -0.000 0.000 0.299 685 M C -2.356 173.939 176.300 -0.008 0.000 1.103 685 M CA -0.959 54.333 55.300 -0.014 0.000 0.910 685 M CB 1.813 34.395 32.600 -0.031 0.000 1.659 685 M HN 0.695 nan 8.290 nan 0.000 0.445 686 L N 3.746 124.967 121.223 -0.002 0.000 2.441 686 L HA 0.516 4.855 4.340 -0.000 0.000 0.270 686 L C -1.204 175.665 176.870 -0.001 0.000 0.973 686 L CA 0.108 54.947 54.840 -0.001 0.000 0.842 686 L CB 2.194 44.258 42.059 0.008 0.000 1.239 686 L HN 0.765 nan 8.230 nan 0.000 0.406 687 S N 5.906 121.602 115.700 -0.006 0.000 2.474 687 S HA 0.652 5.122 4.470 -0.000 0.000 0.276 687 S C -0.300 174.299 174.600 -0.001 0.000 1.227 687 S CA -0.361 57.837 58.200 -0.003 0.000 1.050 687 S CB -0.156 63.041 63.200 -0.005 0.000 0.939 687 S HN 0.505 nan 8.310 nan 0.000 0.490 688 I N 4.047 124.619 120.570 0.003 0.000 2.465 688 I HA 0.346 4.516 4.170 -0.000 0.000 0.291 688 I C -0.718 175.402 176.117 0.004 0.000 1.014 688 I CA -0.831 60.471 61.300 0.003 0.000 1.093 688 I CB 1.971 39.976 38.000 0.008 0.000 1.267 688 I HN 0.455 nan 8.210 nan 0.000 0.431 689 D N 6.348 126.749 120.400 0.002 0.000 2.443 689 D HA 0.235 4.875 4.640 -0.000 0.000 0.221 689 D C -0.350 175.951 176.300 0.003 0.000 1.097 689 D CA -0.129 53.873 54.000 0.003 0.000 0.865 689 D CB 2.012 42.812 40.800 0.001 0.000 1.034 689 D HN 0.056 nan 8.370 nan 0.000 0.511 690 V N 2.228 122.145 119.914 0.005 0.000 2.432 690 V HA 0.401 4.521 4.120 -0.000 0.000 0.271 690 V C 0.851 176.947 176.094 0.004 0.000 1.046 690 V CA -0.760 61.542 62.300 0.005 0.000 0.945 690 V CB 0.955 32.782 31.823 0.007 0.000 0.992 690 V HN 0.552 nan 8.190 nan 0.000 0.471 691 A N 3.965 126.787 122.820 0.003 0.000 2.322 691 A HA 0.562 4.882 4.320 -0.000 0.000 0.269 691 A C 0.224 177.810 177.584 0.004 0.000 1.094 691 A CA -0.292 51.746 52.037 0.003 0.000 0.807 691 A CB 0.588 19.589 19.000 0.002 0.000 1.047 691 A HN 0.872 nan 8.150 nan 0.000 0.487 692 E N 0.000 120.202 120.200 0.004 0.000 2.725 692 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 692 E CA 0.000 56.403 56.400 0.004 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