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 6cgt_1_A DATA FIRST_RESID 1 DATA SEQUENCE DPDTAVTNKQ SFSTDVIYQV FTDRFLDGNP SNNPTGAAYD ATcSNLKLYc DATA SEQUENCE GGDWQGLINK INDNYFSDLG VTALWISQPV ENIFATINYS GVTNTAYHGY DATA SEQUENCE WARDFKKTNP YFGTMADFQN LITTAHAKGI KIVIDFAPNH TSPAMETDTS DATA SEQUENCE FAENGRLYDN GTLVGGYTND TNGYFHHNGG SDFSSLENGI YKNTYDLADF DATA SEQUENCE NHNNATIDKY FKDAIKLWLD MGVDGIRVDA VKHMPLGWQK SWMSSIYAHK DATA SEQUENCE PVFTFGEWFL GSAASDADNT DFANKSGMSL LDFRFNSAVR NVFRDNTSNM DATA SEQUENCE YALDSMINST ATDYNQVNDQ VTFIDNHDMD RFKTSAVNNR RLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYLTGNG DPDNRAKMPS FSKSTTAFNV ISKLAPLRKS DATA SEQUENCE NPAIAYGSTQ QRWINNDVYV YERKFGKSVA VVAVNRNLST SASITGLSTS DATA SEQUENCE LPTGSYTDVL GGVLNGNNIT STNGSINNFT LAAGATAVWQ YTTAETTPTI DATA SEQUENCE GHVGPVMGKP GNVVTIDGRG FGSTKGTVYF GTTAVTGAAI TSWEDTQIKV DATA SEQUENCE TIPSVAAGNY AVKVAASGVN SNAYNNFTIL TGDQVTVRFV VNNASTTLGQ DATA SEQUENCE NLYLTGNVAE LGNWSTGSTA IGPAFNQVIH QYPTWYYDVS VPAGKQLEFK DATA SEQUENCE FFKKNGSTIT WESGSNHTFT TPASGTATVT VNWQ 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 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.277 176.300 -0.039 0.000 2.045 1 D CA 0.000 53.982 54.000 -0.030 0.000 0.868 1 D CB 0.000 40.775 40.800 -0.042 0.000 0.688 2 P HA 0.025 nan 4.420 nan 0.000 0.269 2 P C 0.981 178.238 177.300 -0.071 0.000 1.217 2 P CA -0.108 62.956 63.100 -0.059 0.000 0.783 2 P CB 0.733 32.396 31.700 -0.062 0.000 0.898 3 D N -0.104 120.252 120.400 -0.074 0.000 2.182 3 D HA -0.175 4.455 4.640 -0.017 0.000 0.201 3 D C 1.325 177.570 176.300 -0.092 0.000 0.986 3 D CA 1.868 55.829 54.000 -0.065 0.000 0.847 3 D CB -1.096 39.681 40.800 -0.038 0.000 0.942 3 D HN 0.429 nan 8.370 nan 0.000 0.467 4 T N -1.106 113.390 114.554 -0.098 0.000 3.129 4 T HA 0.374 4.714 4.350 -0.017 0.000 0.251 4 T C 0.943 175.556 174.700 -0.144 0.000 1.117 4 T CA 0.217 62.239 62.100 -0.130 0.000 1.034 4 T CB -0.329 68.470 68.868 -0.115 0.000 0.968 4 T HN 0.300 nan 8.240 nan 0.000 0.526 5 A N 0.511 123.254 122.820 -0.128 0.000 2.429 5 A HA 0.423 4.733 4.320 -0.017 0.000 0.242 5 A C 1.606 179.083 177.584 -0.178 0.000 1.088 5 A CA -0.031 51.928 52.037 -0.130 0.000 0.784 5 A CB 0.013 18.951 19.000 -0.104 0.000 1.038 5 A HN 0.331 nan 8.150 nan 0.000 0.501 6 V N 0.723 120.529 119.914 -0.180 0.000 3.380 6 V HA -0.066 4.044 4.120 -0.017 0.000 0.268 6 V C 2.028 177.950 176.094 -0.287 0.000 1.168 6 V CA 2.257 64.414 62.300 -0.239 0.000 1.156 6 V CB -0.833 30.863 31.823 -0.211 0.000 0.785 6 V HN 1.118 nan 8.190 nan 0.000 0.487 7 T N -2.560 111.865 114.554 -0.215 0.000 3.144 7 T HA 0.084 4.424 4.350 -0.017 0.000 0.249 7 T C 0.868 175.481 174.700 -0.146 0.000 1.089 7 T CA 0.090 62.081 62.100 -0.183 0.000 0.989 7 T CB -0.547 68.250 68.868 -0.119 0.000 0.992 7 T HN 0.346 nan 8.240 nan 0.000 0.540 8 N N 2.011 120.604 118.700 -0.179 0.000 3.188 8 N HA 0.210 4.940 4.740 -0.017 0.000 0.279 8 N C 0.720 176.125 175.510 -0.174 0.000 1.213 8 N CA -0.338 52.620 53.050 -0.154 0.000 1.138 8 N CB 0.256 38.641 38.487 -0.170 0.000 1.417 8 N HN 0.393 nan 8.380 nan 0.000 0.526 9 K N 0.709 121.067 120.400 -0.070 0.000 2.555 9 K HA -0.056 4.254 4.320 -0.017 0.000 0.193 9 K C 0.399 177.128 176.600 0.215 0.000 1.032 9 K CA 0.745 57.067 56.287 0.058 0.000 1.004 9 K CB 0.345 32.910 32.500 0.109 0.000 0.804 9 K HN 0.419 nan 8.250 nan 0.000 0.496 10 Q N -0.260 119.618 119.800 0.130 0.000 2.282 10 Q HA 0.150 4.480 4.340 -0.017 0.000 0.206 10 Q C -0.130 176.012 176.000 0.237 0.000 0.878 10 Q CA -0.067 55.864 55.803 0.212 0.000 0.944 10 Q CB 1.493 30.302 28.738 0.117 0.000 1.100 10 Q HN -0.005 nan 8.270 nan 0.000 0.509 11 S N -0.963 114.762 115.700 0.043 0.000 2.546 11 S HA 0.581 5.041 4.470 -0.017 0.000 0.272 11 S C -1.292 173.077 174.600 -0.386 0.000 1.140 11 S CA -0.590 57.470 58.200 -0.233 0.000 0.920 11 S CB 0.433 63.477 63.200 -0.259 0.000 1.083 11 S HN 0.137 nan 8.310 nan 0.000 0.476 12 F N 1.999 121.434 119.950 -0.859 0.000 2.772 12 F HA 0.323 4.841 4.527 -0.016 0.000 0.316 12 F C 1.968 177.424 175.800 -0.574 0.000 1.114 12 F CA -0.263 57.344 58.000 -0.656 0.000 1.191 12 F CB 0.335 38.913 39.000 -0.704 0.000 1.065 12 F HN 0.525 nan 8.300 nan 0.000 0.534 13 S N -0.404 114.988 115.700 -0.513 0.000 2.419 13 S HA -0.188 4.272 4.470 -0.017 0.000 0.233 13 S C 2.310 176.618 174.600 -0.486 0.000 1.016 13 S CA 1.951 59.836 58.200 -0.525 0.000 0.974 13 S CB -0.478 62.289 63.200 -0.720 0.000 0.786 13 S HN 0.571 nan 8.310 nan 0.000 0.492 14 T N -0.105 114.178 114.554 -0.452 0.000 3.067 14 T HA 0.054 4.394 4.350 -0.017 0.000 0.261 14 T C 0.369 174.911 174.700 -0.263 0.000 1.110 14 T CA 0.113 61.999 62.100 -0.357 0.000 1.113 14 T CB -0.157 68.531 68.868 -0.300 0.000 0.917 14 T HN 0.191 nan 8.240 nan 0.000 0.499 15 D N 0.796 121.046 120.400 -0.250 0.000 2.423 15 D HA 0.478 5.108 4.640 -0.017 0.000 0.255 15 D C -0.800 175.442 176.300 -0.098 0.000 1.174 15 D CA -0.428 53.472 54.000 -0.167 0.000 1.008 15 D CB 2.129 42.832 40.800 -0.161 0.000 1.101 15 D HN 0.054 nan 8.370 nan 0.000 0.516 16 V N 1.690 121.578 119.914 -0.044 0.000 2.482 16 V HA 0.264 4.374 4.120 -0.017 0.000 0.295 16 V C 0.196 176.330 176.094 0.067 0.000 1.026 16 V CA -0.684 61.612 62.300 -0.006 0.000 0.856 16 V CB 1.497 33.305 31.823 -0.026 0.000 1.001 16 V HN 0.353 nan 8.190 nan 0.000 0.424 17 I N 4.283 124.920 120.570 0.112 0.000 2.519 17 I HA 0.282 4.442 4.170 -0.017 0.000 0.287 17 I C -0.746 175.505 176.117 0.223 0.000 1.047 17 I CA -0.379 61.039 61.300 0.196 0.000 1.381 17 I CB 0.730 38.881 38.000 0.252 0.000 1.417 17 I HN 0.618 nan 8.210 nan 0.000 0.540 18 Y N 5.852 126.191 120.300 0.064 0.000 2.555 18 Y HA 0.196 4.737 4.550 -0.016 0.000 0.326 18 Y C 0.107 176.002 175.900 -0.008 0.000 0.984 18 Y CA -0.635 57.471 58.100 0.009 0.000 1.298 18 Y CB 0.773 39.155 38.460 -0.130 0.000 1.094 18 Y HN 0.513 nan 8.280 nan 0.000 0.500 19 Q N 5.472 125.135 119.800 -0.228 0.000 2.286 19 Q HA 0.385 4.715 4.340 -0.017 0.000 0.265 19 Q C -1.512 174.246 176.000 -0.405 0.000 1.080 19 Q CA -0.143 55.405 55.803 -0.425 0.000 0.906 19 Q CB 0.797 29.124 28.738 -0.685 0.000 1.227 19 Q HN 0.580 nan 8.270 nan 0.000 0.409 20 V N 5.743 125.407 119.914 -0.417 0.000 2.628 20 V HA 0.422 4.532 4.120 -0.017 0.000 0.306 20 V C -1.289 174.538 176.094 -0.446 0.000 1.045 20 V CA -0.708 61.312 62.300 -0.466 0.000 0.905 20 V CB 1.437 32.966 31.823 -0.490 0.000 0.997 20 V HN 0.794 nan 8.190 nan 0.000 0.436 21 F N 5.534 125.010 119.950 -0.789 0.000 2.406 21 F HA 0.321 4.838 4.527 -0.018 0.000 0.358 21 F C 1.770 177.323 175.800 -0.411 0.000 1.161 21 F CA 0.304 58.021 58.000 -0.472 0.000 1.185 21 F CB 0.807 39.617 39.000 -0.317 0.000 1.421 21 F HN 0.768 nan 8.300 nan 0.000 0.576 22 T N 1.464 115.816 114.554 -0.336 0.000 2.616 22 T HA -0.393 3.947 4.350 -0.017 0.000 0.261 22 T C 1.727 176.335 174.700 -0.153 0.000 1.105 22 T CA 2.388 64.280 62.100 -0.347 0.000 1.159 22 T CB -0.328 68.036 68.868 -0.840 0.000 0.856 22 T HN 0.620 nan 8.240 nan 0.000 0.449 23 D N 0.274 120.641 120.400 -0.054 0.000 2.116 23 D HA -0.125 4.505 4.640 -0.017 0.000 0.193 23 D C 2.215 178.619 176.300 0.174 0.000 0.998 23 D CA 1.029 55.152 54.000 0.205 0.000 0.836 23 D CB 0.012 41.033 40.800 0.368 0.000 0.951 23 D HN 0.119 nan 8.370 nan 0.000 0.449 24 R N -0.668 119.926 120.500 0.156 0.000 2.307 24 R HA 0.003 4.333 4.340 -0.017 0.000 0.199 24 R C 1.714 178.115 176.300 0.168 0.000 1.000 24 R CA 0.074 56.247 56.100 0.122 0.000 1.023 24 R CB -0.691 29.685 30.300 0.126 0.000 0.908 24 R HN 0.339 nan 8.270 nan 0.000 0.473 25 F N -0.059 119.877 119.950 -0.024 0.000 2.092 25 F HA 0.215 4.732 4.527 -0.017 0.000 0.286 25 F C 0.686 176.605 175.800 0.198 0.000 1.116 25 F CA 0.840 58.890 58.000 0.084 0.000 1.185 25 F CB 0.453 39.488 39.000 0.058 0.000 1.034 25 F HN -0.177 nan 8.300 nan 0.000 0.479 26 L N 1.368 122.764 121.223 0.288 0.000 2.661 26 L HA 0.186 4.516 4.340 -0.017 0.000 0.263 26 L C -1.619 175.348 176.870 0.161 0.000 0.956 26 L CA -0.582 54.352 54.840 0.156 0.000 0.918 26 L CB 1.071 43.165 42.059 0.058 0.000 1.280 26 L HN 0.007 nan 8.230 nan 0.000 0.416 27 D N 2.888 123.369 120.400 0.135 0.000 2.357 27 D HA 0.174 4.804 4.640 -0.017 0.000 0.265 27 D C 1.028 177.393 176.300 0.108 0.000 1.334 27 D CA 0.432 54.513 54.000 0.136 0.000 0.984 27 D CB 1.300 42.185 40.800 0.141 0.000 1.077 27 D HN 0.723 nan 8.370 nan 0.000 0.514 28 G N 3.182 112.048 108.800 0.111 0.000 3.088 28 G HA2 -0.064 3.886 3.960 -0.017 0.000 0.217 28 G HA3 -0.064 3.886 3.960 -0.017 0.000 0.217 28 G C 0.507 175.455 174.900 0.080 0.000 1.159 28 G CA -0.306 44.849 45.100 0.090 0.000 0.760 28 G HN 0.497 nan 8.290 nan 0.000 0.550 29 N N -0.403 118.346 118.700 0.081 0.000 2.655 29 N HA 0.248 4.978 4.740 -0.017 0.000 0.277 29 N C -2.829 172.711 175.510 0.050 0.000 1.177 29 N CA -1.259 51.828 53.050 0.062 0.000 0.882 29 N CB 2.169 40.697 38.487 0.069 0.000 1.481 29 N HN -0.250 nan 8.380 nan 0.000 0.547 30 P HA 0.136 nan 4.420 nan 0.000 0.236 30 P C 0.835 178.106 177.300 -0.048 0.000 1.177 30 P CA 0.505 63.603 63.100 -0.002 0.000 0.773 30 P CB 0.500 32.205 31.700 0.008 0.000 0.878 31 S N 0.567 116.252 115.700 -0.025 0.000 2.423 31 S HA -0.136 4.324 4.470 -0.017 0.000 0.231 31 S C 1.551 176.120 174.600 -0.052 0.000 1.014 31 S CA 1.577 59.753 58.200 -0.040 0.000 0.965 31 S CB -0.980 62.208 63.200 -0.020 0.000 0.785 31 S HN 0.420 nan 8.310 nan 0.000 0.495 32 N N 1.209 119.892 118.700 -0.029 0.000 2.412 32 N HA 0.022 4.752 4.740 -0.017 0.000 0.184 32 N C -0.465 175.056 175.510 0.018 0.000 1.101 32 N CA -0.052 52.985 53.050 -0.021 0.000 0.881 32 N CB -0.404 38.084 38.487 0.002 0.000 0.969 32 N HN 0.105 nan 8.380 nan 0.000 0.459 33 N N 2.454 121.113 118.700 -0.069 0.000 2.454 33 N HA 0.154 4.884 4.740 -0.017 0.000 0.254 33 N C -2.308 173.043 175.510 -0.265 0.000 1.228 33 N CA -1.113 51.817 53.050 -0.200 0.000 0.900 33 N CB 0.003 38.179 38.487 -0.518 0.000 1.089 33 N HN 0.264 nan 8.380 nan 0.000 0.449 34 P HA -0.002 nan 4.420 nan 0.000 0.270 34 P C -0.022 177.125 177.300 -0.256 0.000 1.223 34 P CA -0.145 62.769 63.100 -0.310 0.000 0.785 34 P CB 0.397 31.680 31.700 -0.695 0.000 0.923 35 T N 0.057 114.529 114.554 -0.137 0.000 2.897 35 T HA 0.399 4.739 4.350 -0.017 0.000 0.294 35 T C 1.487 176.176 174.700 -0.018 0.000 1.004 35 T CA 0.685 62.732 62.100 -0.089 0.000 1.106 35 T CB -0.282 68.546 68.868 -0.067 0.000 0.949 35 T HN 0.663 nan 8.240 nan 0.000 0.520 36 G N 4.268 113.081 108.800 0.023 0.000 2.714 36 G HA2 -0.424 3.526 3.960 -0.017 0.000 0.368 36 G HA3 -0.424 3.526 3.960 -0.017 0.000 0.368 36 G C 1.602 176.549 174.900 0.078 0.000 1.034 36 G CA 1.902 47.039 45.100 0.063 0.000 0.867 36 G HN 1.776 nan 8.290 nan 0.000 0.751 37 A N -0.306 122.543 122.820 0.048 0.000 1.984 37 A HA 0.045 4.355 4.320 -0.017 0.000 0.224 37 A C 2.453 180.077 177.584 0.067 0.000 1.256 37 A CA 3.703 55.770 52.037 0.050 0.000 0.679 37 A CB -0.785 18.238 19.000 0.039 0.000 0.829 37 A HN 2.262 nan 8.150 nan 0.000 0.483 38 A N -3.272 119.594 122.820 0.077 0.000 2.676 38 A HA 0.558 4.868 4.320 -0.017 0.000 0.297 38 A C -0.229 177.452 177.584 0.162 0.000 1.132 38 A CA -0.198 51.907 52.037 0.112 0.000 0.972 38 A CB 0.017 19.090 19.000 0.121 0.000 1.197 38 A HN 0.678 nan 8.150 nan 0.000 0.524 39 Y N -0.236 120.063 120.300 -0.002 0.000 2.524 39 Y HA 0.630 5.170 4.550 -0.017 0.000 0.347 39 Y C -1.848 174.055 175.900 0.006 0.000 1.005 39 Y CA -1.424 56.673 58.100 -0.004 0.000 1.025 39 Y CB 1.877 40.307 38.460 -0.051 0.000 1.275 39 Y HN 0.169 nan 8.280 nan 0.000 0.460 40 D N 3.412 123.274 120.400 -0.897 0.000 2.616 40 D HA 0.426 5.056 4.640 -0.017 0.000 0.238 40 D C -0.159 175.627 176.300 -0.856 0.000 1.354 40 D CA 0.203 53.821 54.000 -0.635 0.000 0.970 40 D CB 1.826 42.444 40.800 -0.304 0.000 1.369 40 D HN 0.768 nan 8.370 nan 0.000 0.585 41 A N 2.436 124.877 122.820 -0.631 0.000 1.898 41 A HA -0.094 4.216 4.320 -0.017 0.000 0.216 41 A C 1.909 179.392 177.584 -0.169 0.000 1.181 41 A CA 2.097 53.954 52.037 -0.301 0.000 0.620 41 A CB -0.749 18.256 19.000 0.009 0.000 0.819 41 A HN 0.641 nan 8.150 nan 0.000 0.442 42 T N -4.631 109.836 114.554 -0.144 0.000 3.051 42 T HA -0.110 4.230 4.350 -0.017 0.000 0.269 42 T C 1.015 175.649 174.700 -0.111 0.000 1.127 42 T CA 0.820 62.861 62.100 -0.098 0.000 1.107 42 T CB -1.485 67.338 68.868 -0.075 0.000 0.898 42 T HN 1.133 nan 8.240 nan 0.000 0.517 43 c N 1.543 120.046 118.600 -0.161 0.000 3.989 43 c HA -0.230 4.330 4.570 -0.017 0.000 0.297 43 c C 2.044 176.063 174.090 -0.118 0.000 1.435 43 c CA 0.738 56.975 56.329 -0.152 0.000 2.040 43 c CB -2.829 39.610 42.510 -0.119 0.000 1.308 43 c HN 0.850 nan 8.230 nan 0.000 0.704 44 S N 0.625 116.260 115.700 -0.107 0.000 2.327 44 S HA -0.021 4.439 4.470 -0.017 0.000 0.213 44 S C 0.883 175.436 174.600 -0.080 0.000 1.032 44 S CA 1.098 59.250 58.200 -0.079 0.000 0.960 44 S CB -0.290 62.872 63.200 -0.063 0.000 0.900 44 S HN 0.906 nan 8.310 nan 0.000 0.469 45 N N 2.328 120.979 118.700 -0.082 0.000 2.416 45 N HA -0.006 4.724 4.740 -0.017 0.000 0.265 45 N C 0.576 176.017 175.510 -0.115 0.000 1.195 45 N CA -0.092 52.915 53.050 -0.072 0.000 0.943 45 N CB 0.780 39.236 38.487 -0.052 0.000 1.115 45 N HN 0.247 nan 8.380 nan 0.000 0.481 46 L N 3.672 124.825 121.223 -0.117 0.000 2.465 46 L HA 0.012 4.342 4.340 -0.017 0.000 0.224 46 L C 1.969 178.652 176.870 -0.311 0.000 1.145 46 L CA 0.939 55.654 54.840 -0.208 0.000 0.834 46 L CB -0.756 41.212 42.059 -0.152 0.000 0.944 46 L HN 0.534 nan 8.230 nan 0.000 0.451 47 K N -0.014 120.311 120.400 -0.125 0.000 2.366 47 K HA 0.135 4.445 4.320 -0.017 0.000 0.198 47 K C 0.862 177.450 176.600 -0.019 0.000 1.044 47 K CA 0.246 56.539 56.287 0.010 0.000 0.973 47 K CB 0.136 32.719 32.500 0.139 0.000 0.767 47 K HN 0.281 nan 8.250 nan 0.000 0.475 48 L N -0.056 121.102 121.223 -0.108 0.000 2.431 48 L HA 0.271 4.601 4.340 -0.017 0.000 0.260 48 L C 0.538 177.341 176.870 -0.113 0.000 1.098 48 L CA -1.176 53.647 54.840 -0.030 0.000 0.800 48 L CB 0.003 42.057 42.059 -0.007 0.000 1.210 48 L HN -0.120 nan 8.230 nan 0.000 0.465 49 Y N -1.051 119.215 120.300 -0.057 0.000 2.385 49 Y HA -0.017 4.523 4.550 -0.017 0.000 0.346 49 Y C 0.935 176.777 175.900 -0.096 0.000 1.270 49 Y CA 0.108 58.198 58.100 -0.017 0.000 1.472 49 Y CB 0.643 39.112 38.460 0.015 0.000 1.354 49 Y HN 0.537 nan 8.280 nan 0.000 0.611 50 c N -0.549 118.140 118.600 0.149 0.000 3.919 50 c HA 0.495 5.055 4.570 -0.017 0.000 0.422 50 c C 1.313 175.502 174.090 0.166 0.000 1.533 50 c CA 0.304 56.621 56.329 -0.020 0.000 2.014 50 c CB 0.021 42.505 42.510 -0.043 0.000 2.967 50 c HN 1.187 nan 8.230 nan 0.000 0.692 51 G N 0.485 109.494 108.800 0.347 0.000 2.650 51 G HA2 0.183 4.133 3.960 -0.017 0.000 0.193 51 G HA3 0.183 4.133 3.960 -0.017 0.000 0.193 51 G C 0.412 175.486 174.900 0.289 0.000 2.403 51 G CA 0.029 45.342 45.100 0.355 0.000 1.493 51 G HN 1.210 nan 8.290 nan 0.000 0.459 52 G N 1.987 110.920 108.800 0.223 0.000 2.924 52 G HA2 0.303 4.253 3.960 -0.017 0.000 0.330 52 G HA3 0.303 4.253 3.960 -0.017 0.000 0.330 52 G C 0.080 175.066 174.900 0.143 0.000 0.207 52 G CA 1.829 47.040 45.100 0.186 0.000 1.226 52 G HN 1.504 nan 8.290 nan 0.000 0.313 53 D N 1.085 121.553 120.400 0.114 0.000 2.758 53 D HA 0.507 5.137 4.640 -0.017 0.000 0.262 53 D C 0.769 177.120 176.300 0.084 0.000 1.113 53 D CA -1.031 52.987 54.000 0.030 0.000 1.114 53 D CB 0.282 41.137 40.800 0.092 0.000 1.363 53 D HN 0.230 nan 8.370 nan 0.000 0.617 54 W N -0.646 120.725 121.300 0.118 0.000 2.453 54 W HA 0.031 4.681 4.660 -0.016 0.000 0.289 54 W C 2.172 178.741 176.519 0.083 0.000 1.215 54 W CA 0.641 58.037 57.345 0.085 0.000 1.297 54 W CB -0.823 28.710 29.460 0.121 0.000 1.113 54 W HN 0.550 nan 8.180 nan 0.000 0.551 55 Q N 0.266 120.246 119.800 0.300 0.000 2.135 55 Q HA -0.110 4.220 4.340 -0.017 0.000 0.204 55 Q C 2.394 178.491 176.000 0.162 0.000 0.981 55 Q CA 2.537 58.457 55.803 0.196 0.000 0.856 55 Q CB -0.817 28.010 28.738 0.149 0.000 0.902 55 Q HN 0.163 nan 8.270 nan 0.000 0.425 56 G N 0.246 109.152 108.800 0.177 0.000 2.422 56 G HA2 -0.219 3.731 3.960 -0.017 0.000 0.218 56 G HA3 -0.219 3.731 3.960 -0.017 0.000 0.218 56 G C 1.281 176.306 174.900 0.207 0.000 1.146 56 G CA 0.924 46.121 45.100 0.161 0.000 0.769 56 G HN 0.372 nan 8.290 nan 0.000 0.547 57 L N 0.074 121.463 121.223 0.277 0.000 2.093 57 L HA 0.013 4.343 4.340 -0.017 0.000 0.208 57 L C 2.839 179.848 176.870 0.231 0.000 1.085 57 L CA 0.650 55.675 54.840 0.309 0.000 0.755 57 L CB -0.395 41.810 42.059 0.244 0.000 0.904 57 L HN 0.207 nan 8.230 nan 0.000 0.435 58 I N -0.165 120.502 120.570 0.162 0.000 2.252 58 I HA -0.258 3.902 4.170 -0.017 0.000 0.245 58 I C 2.214 178.376 176.117 0.075 0.000 1.102 58 I CA 0.966 62.329 61.300 0.105 0.000 1.385 58 I CB -0.495 37.556 38.000 0.085 0.000 1.064 58 I HN 0.319 nan 8.210 nan 0.000 0.414 59 N N 1.050 119.787 118.700 0.060 0.000 2.120 59 N HA -0.151 4.579 4.740 -0.017 0.000 0.188 59 N C 1.772 177.251 175.510 -0.051 0.000 1.024 59 N CA 1.180 54.233 53.050 0.003 0.000 0.852 59 N CB -0.157 38.324 38.487 -0.010 0.000 1.003 59 N HN 0.232 nan 8.380 nan 0.000 0.424 60 K N 0.650 121.010 120.400 -0.068 0.000 2.296 60 K HA 0.137 4.447 4.320 -0.017 0.000 0.200 60 K C 1.996 178.498 176.600 -0.164 0.000 1.048 60 K CA 0.143 56.297 56.287 -0.222 0.000 0.966 60 K CB -0.012 32.258 32.500 -0.382 0.000 0.754 60 K HN 0.270 nan 8.250 nan 0.000 0.466 61 I N 1.123 121.731 120.570 0.064 0.000 2.333 61 I HA -0.215 3.945 4.170 -0.017 0.000 0.246 61 I C 1.831 177.986 176.117 0.064 0.000 1.106 61 I CA 0.744 62.145 61.300 0.167 0.000 1.411 61 I CB -0.163 37.957 38.000 0.199 0.000 1.082 61 I HN 0.070 nan 8.210 nan 0.000 0.420 62 N N 1.048 119.769 118.700 0.034 0.000 2.120 62 N HA -0.167 4.563 4.740 -0.017 0.000 0.188 62 N C 1.094 176.602 175.510 -0.002 0.000 1.024 62 N CA 1.544 54.604 53.050 0.017 0.000 0.852 62 N CB -0.434 38.060 38.487 0.013 0.000 1.003 62 N HN 0.448 nan 8.380 nan 0.000 0.424 63 D N -0.011 120.373 120.400 -0.027 0.000 2.413 63 D HA -0.005 4.625 4.640 -0.017 0.000 0.237 63 D C -0.294 175.992 176.300 -0.023 0.000 1.171 63 D CA -0.179 53.802 54.000 -0.031 0.000 0.839 63 D CB -0.722 40.046 40.800 -0.052 0.000 0.950 63 D HN -0.122 nan 8.370 nan 0.000 0.499 64 N N -0.474 118.218 118.700 -0.013 0.000 2.693 64 N HA -0.304 4.426 4.740 -0.017 0.000 0.249 64 N C 0.211 175.709 175.510 -0.019 0.000 1.119 64 N CA 0.698 53.745 53.050 -0.004 0.000 0.717 64 N CB -2.050 36.439 38.487 0.003 0.000 1.071 64 N HN 0.511 nan 8.380 nan 0.000 0.555 65 Y N -0.150 120.023 120.300 -0.212 0.000 2.145 65 Y HA -0.113 4.428 4.550 -0.016 0.000 0.286 65 Y C 1.702 177.490 175.900 -0.185 0.000 1.145 65 Y CA 1.836 59.788 58.100 -0.247 0.000 1.148 65 Y CB -0.301 37.845 38.460 -0.523 0.000 0.981 65 Y HN 0.142 nan 8.280 nan 0.000 0.507 66 F N -0.785 119.171 119.950 0.010 0.000 2.456 66 F HA -0.064 4.453 4.527 -0.017 0.000 0.298 66 F C 2.487 178.199 175.800 -0.146 0.000 1.104 66 F CA 1.093 59.010 58.000 -0.138 0.000 1.435 66 F CB -0.918 38.035 39.000 -0.078 0.000 1.078 66 F HN -0.040 nan 8.300 nan 0.000 0.546 67 S N -0.415 115.322 115.700 0.063 0.000 2.395 67 S HA -0.109 4.351 4.470 -0.017 0.000 0.225 67 S C 1.473 176.069 174.600 -0.007 0.000 1.027 67 S CA 1.077 59.292 58.200 0.025 0.000 0.965 67 S CB -0.195 63.023 63.200 0.030 0.000 0.812 67 S HN 0.331 nan 8.310 nan 0.000 0.482 68 D N 1.122 121.522 120.400 0.001 0.000 2.317 68 D HA 0.038 4.668 4.640 -0.017 0.000 0.211 68 D C 1.636 177.972 176.300 0.060 0.000 0.966 68 D CA 0.299 54.343 54.000 0.073 0.000 0.876 68 D CB -0.089 40.794 40.800 0.138 0.000 0.927 68 D HN 0.224 nan 8.370 nan 0.000 0.519 69 L N -0.037 121.069 121.223 -0.194 0.000 2.162 69 L HA 0.182 4.512 4.340 -0.017 0.000 0.205 69 L C 1.626 178.302 176.870 -0.323 0.000 1.086 69 L CA 1.689 56.161 54.840 -0.614 0.000 0.778 69 L CB -0.138 41.470 42.059 -0.752 0.000 0.928 69 L HN 0.225 nan 8.230 nan 0.000 0.446 70 G N -1.042 107.660 108.800 -0.164 0.000 2.179 70 G HA2 -0.210 3.740 3.960 -0.017 0.000 0.220 70 G HA3 -0.210 3.740 3.960 -0.017 0.000 0.220 70 G C 0.358 175.207 174.900 -0.085 0.000 0.990 70 G CA 0.206 45.241 45.100 -0.108 0.000 0.646 70 G HN 0.721 nan 8.290 nan 0.000 0.517 71 V N -0.001 119.865 119.914 -0.080 0.000 2.740 71 V HA 0.696 4.806 4.120 -0.017 0.000 0.303 71 V C 1.174 177.238 176.094 -0.050 0.000 1.054 71 V CA 1.246 63.519 62.300 -0.046 0.000 1.106 71 V CB 1.266 33.064 31.823 -0.042 0.000 0.957 71 V HN 1.057 nan 8.190 nan 0.000 0.486 72 T N -0.105 114.423 114.554 -0.044 0.000 3.084 72 T HA 0.725 5.065 4.350 -0.017 0.000 0.270 72 T C 0.223 174.898 174.700 -0.042 0.000 1.008 72 T CA 0.332 62.397 62.100 -0.059 0.000 0.900 72 T CB 0.088 68.899 68.868 -0.094 0.000 1.084 72 T HN 1.907 nan 8.240 nan 0.000 0.538 73 A N 1.275 124.098 122.820 0.004 0.000 2.555 73 A HA 0.662 4.972 4.320 -0.017 0.000 0.297 73 A C -1.465 176.172 177.584 0.088 0.000 1.060 73 A CA -0.960 51.124 52.037 0.079 0.000 0.710 73 A CB 0.907 20.045 19.000 0.230 0.000 1.282 73 A HN 0.383 nan 8.150 nan 0.000 0.399 74 L N 1.406 122.659 121.223 0.050 0.000 2.317 74 L HA 0.634 4.964 4.340 -0.017 0.000 0.281 74 L C -0.594 176.396 176.870 0.200 0.000 1.024 74 L CA -0.507 54.352 54.840 0.033 0.000 0.810 74 L CB 1.603 43.563 42.059 -0.165 0.000 1.240 74 L HN 0.821 nan 8.230 nan 0.000 0.427 75 W N 6.670 127.988 121.300 0.029 0.000 2.299 75 W HA 0.570 5.219 4.660 -0.017 0.000 0.319 75 W C -0.466 176.040 176.519 -0.022 0.000 1.008 75 W CA -1.790 55.584 57.345 0.049 0.000 1.384 75 W CB 0.226 29.761 29.460 0.125 0.000 1.220 75 W HN 0.433 nan 8.180 nan 0.000 0.402 76 I N 2.199 122.896 120.570 0.212 0.000 3.156 76 I HA 0.549 4.709 4.170 -0.017 0.000 0.306 76 I C 0.535 176.654 176.117 0.004 0.000 1.048 76 I CA -0.665 60.642 61.300 0.013 0.000 1.207 76 I CB 0.668 38.710 38.000 0.069 0.000 1.456 76 I HN 0.177 nan 8.210 nan 0.000 0.616 77 S N 1.328 116.914 115.700 -0.191 0.000 2.585 77 S HA 0.047 4.507 4.470 -0.017 0.000 0.273 77 S C -0.098 174.460 174.600 -0.069 0.000 1.339 77 S CA -0.472 57.551 58.200 -0.296 0.000 1.028 77 S CB 0.726 63.669 63.200 -0.428 0.000 0.906 77 S HN 0.690 nan 8.310 nan 0.000 0.528 78 Q N 3.266 122.962 119.800 -0.173 0.000 2.520 78 Q HA -0.049 4.281 4.340 -0.017 0.000 0.320 78 Q C -1.436 174.589 176.000 0.042 0.000 1.104 78 Q CA -0.511 55.241 55.803 -0.086 0.000 1.062 78 Q CB 0.541 29.158 28.738 -0.202 0.000 1.005 78 Q HN 0.314 nan 8.270 nan 0.000 0.390 79 P HA -0.095 nan 4.420 nan 0.000 0.229 79 P C 0.347 177.718 177.300 0.119 0.000 1.160 79 P CA 0.634 63.847 63.100 0.189 0.000 0.777 79 P CB -0.190 31.377 31.700 -0.221 0.000 0.814 80 V N -1.039 118.840 119.914 -0.059 0.000 3.139 80 V HA 0.108 4.218 4.120 -0.017 0.000 0.307 80 V C 0.536 176.620 176.094 -0.016 0.000 1.095 80 V CA -0.899 61.440 62.300 0.066 0.000 1.160 80 V CB -0.249 31.534 31.823 -0.067 0.000 1.003 80 V HN 0.056 nan 8.190 nan 0.000 0.489 81 E N 3.092 123.295 120.200 0.005 0.000 2.351 81 E HA 0.100 4.440 4.350 -0.017 0.000 0.266 81 E C 0.007 176.486 176.600 -0.202 0.000 1.031 81 E CA -0.052 56.288 56.400 -0.101 0.000 0.911 81 E CB 0.161 29.812 29.700 -0.081 0.000 0.986 81 E HN 0.874 nan 8.360 nan 0.000 0.446 82 N N 3.340 121.905 118.700 -0.224 0.000 2.491 82 N HA 0.273 5.003 4.740 -0.017 0.000 0.279 82 N C 0.187 175.499 175.510 -0.330 0.000 1.236 82 N CA -0.691 52.248 53.050 -0.184 0.000 0.982 82 N CB 0.789 39.229 38.487 -0.079 0.000 1.194 82 N HN 0.512 nan 8.380 nan 0.000 0.582 83 I N -0.854 119.623 120.570 -0.156 0.000 2.648 83 I HA 0.065 4.225 4.170 -0.017 0.000 0.284 83 I C 0.082 176.117 176.117 -0.138 0.000 1.153 83 I CA -0.143 61.032 61.300 -0.208 0.000 1.426 83 I CB 0.142 38.128 38.000 -0.024 0.000 1.381 83 I HN 0.430 nan 8.210 nan 0.000 0.571 84 F N 4.522 124.528 119.950 0.094 0.000 2.710 84 F HA 0.316 4.833 4.527 -0.018 0.000 0.298 84 F C 1.891 177.746 175.800 0.092 0.000 1.137 84 F CA 0.177 58.249 58.000 0.121 0.000 1.444 84 F CB -0.871 38.182 39.000 0.087 0.000 1.111 84 F HN 0.650 nan 8.300 nan 0.000 0.580 85 A N 0.028 122.958 122.820 0.182 0.000 2.492 85 A HA 0.277 4.587 4.320 -0.017 0.000 0.236 85 A C 0.550 178.207 177.584 0.121 0.000 1.078 85 A CA 0.373 52.471 52.037 0.102 0.000 0.773 85 A CB -0.178 18.816 19.000 -0.010 0.000 1.023 85 A HN 0.133 nan 8.150 nan 0.000 0.504 86 T N 1.708 116.308 114.554 0.077 0.000 2.786 86 T HA 0.540 4.880 4.350 -0.017 0.000 0.283 86 T C -0.259 174.450 174.700 0.014 0.000 0.992 86 T CA -0.130 62.026 62.100 0.093 0.000 0.954 86 T CB -0.162 68.759 68.868 0.088 0.000 0.934 86 T HN 0.403 nan 8.240 nan 0.000 0.440 87 I N 4.283 124.857 120.570 0.006 0.000 2.428 87 I HA 0.417 4.577 4.170 -0.017 0.000 0.296 87 I C 0.217 176.258 176.117 -0.125 0.000 0.985 87 I CA -0.896 60.303 61.300 -0.168 0.000 1.260 87 I CB 1.471 39.257 38.000 -0.358 0.000 1.389 87 I HN 0.467 nan 8.210 nan 0.000 0.484 88 N N 4.922 123.515 118.700 -0.177 0.000 2.564 88 N HA 0.314 5.044 4.740 -0.017 0.000 0.248 88 N C -1.611 173.798 175.510 -0.167 0.000 0.986 88 N CA -0.393 52.602 53.050 -0.092 0.000 0.921 88 N CB 0.530 39.007 38.487 -0.018 0.000 1.136 88 N HN 0.267 nan 8.380 nan 0.000 0.509 89 Y N 2.006 122.377 120.300 0.117 0.000 2.341 89 Y HA 0.176 4.707 4.550 -0.033 0.000 0.340 89 Y C 0.732 176.661 175.900 0.049 0.000 0.997 89 Y CA -0.873 57.277 58.100 0.083 0.000 1.149 89 Y CB 1.186 39.700 38.460 0.089 0.000 1.171 89 Y HN 0.634 nan 8.280 nan 0.000 0.494 90 S N 1.540 117.331 115.700 0.151 0.000 3.247 90 S HA -0.211 4.249 4.470 -0.017 0.000 0.341 90 S C 1.190 175.833 174.600 0.073 0.000 0.924 90 S CA 0.734 58.985 58.200 0.085 0.000 1.323 90 S CB -1.851 61.394 63.200 0.075 0.000 0.918 90 S HN 1.973 nan 8.310 nan 0.000 0.523 91 G N -0.644 108.189 108.800 0.056 0.000 2.363 91 G HA2 -0.270 3.680 3.960 -0.017 0.000 0.238 91 G HA3 -0.270 3.680 3.960 -0.017 0.000 0.238 91 G C 0.508 175.444 174.900 0.061 0.000 1.062 91 G CA 0.154 45.282 45.100 0.047 0.000 0.629 91 G HN 2.226 nan 8.290 nan 0.000 0.514 92 V N 2.697 122.666 119.914 0.090 0.000 2.394 92 V HA 0.714 4.824 4.120 -0.017 0.000 0.282 92 V C 0.666 176.837 176.094 0.129 0.000 1.031 92 V CA 0.488 62.849 62.300 0.101 0.000 0.881 92 V CB 1.235 33.118 31.823 0.101 0.000 0.982 92 V HN 0.450 nan 8.190 nan 0.000 0.451 93 T N 6.937 121.553 114.554 0.103 0.000 2.930 93 T HA 0.210 4.550 4.350 -0.017 0.000 0.306 93 T C -0.075 174.731 174.700 0.176 0.000 1.045 93 T CA 0.247 62.415 62.100 0.113 0.000 1.134 93 T CB -0.069 68.851 68.868 0.088 0.000 0.961 93 T HN 0.838 nan 8.240 nan 0.000 0.545 94 N N 0.940 119.778 118.700 0.230 0.000 2.235 94 N HA 0.459 5.189 4.740 -0.017 0.000 0.293 94 N C -0.504 175.226 175.510 0.366 0.000 1.083 94 N CA -0.473 52.789 53.050 0.353 0.000 0.801 94 N CB 2.572 41.407 38.487 0.581 0.000 1.559 94 N HN 0.751 nan 8.380 nan 0.000 0.472 95 T N -2.320 112.426 114.554 0.320 0.000 2.910 95 T HA 0.628 4.968 4.350 -0.017 0.000 0.287 95 T C 0.325 174.974 174.700 -0.084 0.000 1.050 95 T CA -0.703 61.546 62.100 0.249 0.000 1.011 95 T CB 1.632 70.622 68.868 0.204 0.000 1.195 95 T HN 0.332 nan 8.240 nan 0.000 0.540 96 A N 0.490 123.210 122.820 -0.166 0.000 2.734 96 A HA 0.319 4.629 4.320 -0.017 0.000 0.279 96 A C 1.201 178.146 177.584 -1.065 0.000 1.386 96 A CA -0.390 51.221 52.037 -0.711 0.000 0.987 96 A CB -1.593 17.387 19.000 -0.034 0.000 1.041 96 A HN 0.943 nan 8.150 nan 0.000 0.569 97 Y N -0.036 119.529 120.300 -1.224 0.000 2.256 97 Y HA -0.334 4.205 4.550 -0.019 0.000 0.288 97 Y C 2.034 177.632 175.900 -0.504 0.000 1.155 97 Y CA 1.724 59.156 58.100 -1.113 0.000 1.203 97 Y CB -1.058 36.905 38.460 -0.828 0.000 0.980 97 Y HN 0.715 nan 8.280 nan 0.000 0.530 98 H N -1.194 117.250 119.070 -1.045 0.000 2.524 98 H HA 0.198 4.743 4.556 -0.018 0.000 0.282 98 H C 2.023 176.926 175.328 -0.709 0.000 1.016 98 H CA 0.626 56.245 56.048 -0.715 0.000 1.270 98 H CB -0.410 29.039 29.762 -0.521 0.000 1.394 98 H HN 0.552 nan 8.280 nan 0.000 0.568 99 G N 0.844 109.367 108.800 -0.462 0.000 2.199 99 G HA2 -0.348 3.602 3.960 -0.017 0.000 0.254 99 G HA3 -0.348 3.602 3.960 -0.017 0.000 0.254 99 G C 0.444 175.199 174.900 -0.242 0.000 0.982 99 G CA 0.397 45.306 45.100 -0.318 0.000 0.632 99 G HN 0.516 nan 8.290 nan 0.000 0.529 100 Y N -0.679 119.673 120.300 0.086 0.000 2.578 100 Y HA 0.269 4.809 4.550 -0.017 0.000 0.297 100 Y C 1.083 177.157 175.900 0.290 0.000 1.176 100 Y CA 0.094 58.237 58.100 0.071 0.000 1.315 100 Y CB 0.133 38.566 38.460 -0.044 0.000 1.031 100 Y HN 0.392 nan 8.280 nan 0.000 0.524 101 W N 1.387 122.839 121.300 0.255 0.000 1.818 101 W HA 0.648 5.298 4.660 -0.016 0.000 0.334 101 W C 0.224 176.738 176.519 -0.009 0.000 0.753 101 W CA -2.134 55.305 57.345 0.156 0.000 1.826 101 W CB -0.840 28.715 29.460 0.159 0.000 2.001 101 W HN -0.164 nan 8.180 nan 0.000 0.324 102 A N 1.730 124.615 122.820 0.108 0.000 2.531 102 A HA 0.247 4.557 4.320 -0.017 0.000 0.236 102 A C 1.419 178.963 177.584 -0.066 0.000 1.062 102 A CA 0.560 52.465 52.037 -0.221 0.000 0.760 102 A CB 0.685 19.231 19.000 -0.758 0.000 0.995 102 A HN 0.626 nan 8.150 nan 0.000 0.501 103 R N -0.371 120.056 120.500 -0.122 0.000 2.437 103 R HA 0.119 4.449 4.340 -0.017 0.000 0.184 103 R C -0.941 175.463 176.300 0.174 0.000 0.850 103 R CA 0.563 56.689 56.100 0.042 0.000 1.073 103 R CB 0.632 30.874 30.300 -0.097 0.000 1.336 103 R HN 0.751 nan 8.270 nan 0.000 0.640 104 D N -0.144 120.295 120.400 0.065 0.000 2.336 104 D HA 0.124 4.754 4.640 -0.017 0.000 0.248 104 D C -0.298 176.141 176.300 0.233 0.000 1.326 104 D CA -0.473 53.678 54.000 0.252 0.000 0.973 104 D CB 0.564 41.470 40.800 0.177 0.000 1.255 104 D HN 0.009 nan 8.370 nan 0.000 0.558 105 F N 1.823 121.980 119.950 0.345 0.000 2.494 105 F HA 0.016 4.533 4.527 -0.017 0.000 0.298 105 F C 2.136 178.200 175.800 0.439 0.000 1.106 105 F CA 0.784 59.022 58.000 0.397 0.000 1.452 105 F CB 0.044 39.296 39.000 0.421 0.000 1.085 105 F HN 0.246 nan 8.300 nan 0.000 0.569 106 K N -0.081 120.548 120.400 0.382 0.000 2.361 106 K HA 0.050 4.360 4.320 -0.017 0.000 0.196 106 K C 0.590 177.242 176.600 0.085 0.000 1.039 106 K CA 0.494 56.873 56.287 0.153 0.000 1.001 106 K CB 0.257 32.770 32.500 0.022 0.000 0.795 106 K HN 0.209 nan 8.250 nan 0.000 0.495 107 K N 0.807 121.314 120.400 0.178 0.000 2.245 107 K HA 0.175 4.485 4.320 -0.017 0.000 0.234 107 K C 0.152 176.929 176.600 0.296 0.000 1.021 107 K CA -0.590 55.781 56.287 0.140 0.000 0.898 107 K CB 1.455 34.009 32.500 0.091 0.000 1.163 107 K HN -0.062 nan 8.250 nan 0.000 0.459 108 T N -1.511 113.212 114.554 0.281 0.000 2.902 108 T HA 0.156 4.496 4.350 -0.017 0.000 0.280 108 T C 0.163 174.981 174.700 0.197 0.000 0.992 108 T CA -0.841 61.516 62.100 0.428 0.000 1.015 108 T CB 0.847 70.048 68.868 0.555 0.000 1.044 108 T HN 0.419 nan 8.240 nan 0.000 0.520 109 N N 2.611 121.381 118.700 0.117 0.000 2.420 109 N HA 0.217 4.947 4.740 -0.017 0.000 0.262 109 N C -1.247 174.142 175.510 -0.201 0.000 1.144 109 N CA -2.399 50.574 53.050 -0.128 0.000 0.952 109 N CB 1.114 39.380 38.487 -0.368 0.000 1.081 109 N HN 0.404 nan 8.380 nan 0.000 0.480 110 P HA -0.160 nan 4.420 nan 0.000 0.218 110 P C 0.631 177.694 177.300 -0.396 0.000 1.148 110 P CA 1.379 64.287 63.100 -0.320 0.000 0.822 110 P CB 0.036 31.476 31.700 -0.433 0.000 0.784 111 Y N -1.710 118.464 120.300 -0.211 0.000 2.352 111 Y HA -0.053 4.487 4.550 -0.016 0.000 0.292 111 Y C 2.269 178.128 175.900 -0.068 0.000 1.136 111 Y CA 0.773 58.740 58.100 -0.222 0.000 1.227 111 Y CB -1.061 37.173 38.460 -0.378 0.000 0.991 111 Y HN -0.118 nan 8.280 nan 0.000 0.545 112 F N -1.199 118.588 119.950 -0.271 0.000 2.530 112 F HA 0.462 4.979 4.527 -0.017 0.000 0.292 112 F C 1.419 176.638 175.800 -0.968 0.000 1.109 112 F CA 0.482 58.036 58.000 -0.743 0.000 1.450 112 F CB -0.257 38.032 39.000 -1.185 0.000 1.114 112 F HN -0.034 nan 8.300 nan 0.000 0.560 113 G N -0.610 107.932 108.800 -0.430 0.000 2.352 113 G HA2 0.344 4.294 3.960 -0.017 0.000 0.283 113 G HA3 0.344 4.294 3.960 -0.017 0.000 0.283 113 G C -0.918 174.090 174.900 0.180 0.000 1.308 113 G CA -0.311 44.767 45.100 -0.035 0.000 0.892 113 G HN 0.221 nan 8.290 nan 0.000 0.504 114 T N -2.458 112.337 114.554 0.401 0.000 2.910 114 T HA 0.570 4.910 4.350 -0.017 0.000 0.287 114 T C 1.580 176.564 174.700 0.473 0.000 1.050 114 T CA -0.259 62.048 62.100 0.345 0.000 1.011 114 T CB 1.508 70.493 68.868 0.195 0.000 1.195 114 T HN 0.401 nan 8.240 nan 0.000 0.540 115 M N 0.553 120.341 119.600 0.313 0.000 2.144 115 M HA -0.070 4.400 4.480 -0.017 0.000 0.260 115 M C 2.612 179.072 176.300 0.266 0.000 1.067 115 M CA 2.190 57.652 55.300 0.270 0.000 1.095 115 M CB -1.952 30.721 32.600 0.123 0.000 1.365 115 M HN 0.932 nan 8.290 nan 0.000 0.406 116 A N -0.099 122.844 122.820 0.205 0.000 1.968 116 A HA -0.139 4.171 4.320 -0.017 0.000 0.217 116 A C 1.803 179.490 177.584 0.171 0.000 1.169 116 A CA 1.552 53.680 52.037 0.152 0.000 0.638 116 A CB -0.499 18.567 19.000 0.110 0.000 0.812 116 A HN 0.413 nan 8.150 nan 0.000 0.446 117 D N -1.461 119.101 120.400 0.270 0.000 2.277 117 D HA -0.037 4.593 4.640 -0.017 0.000 0.208 117 D C 1.413 177.862 176.300 0.249 0.000 0.962 117 D CA 0.639 54.821 54.000 0.303 0.000 0.865 117 D CB -0.213 40.864 40.800 0.461 0.000 0.939 117 D HN 0.475 nan 8.370 nan 0.000 0.510 118 F N 1.390 121.421 119.950 0.134 0.000 2.234 118 F HA -0.077 4.440 4.527 -0.017 0.000 0.296 118 F C 2.367 178.083 175.800 -0.141 0.000 1.089 118 F CA 1.028 58.909 58.000 -0.198 0.000 1.343 118 F CB 0.118 39.017 39.000 -0.168 0.000 1.040 118 F HN -0.212 nan 8.300 nan 0.000 0.498 119 Q N 0.352 120.121 119.800 -0.053 0.000 2.079 119 Q HA -0.188 4.142 4.340 -0.017 0.000 0.200 119 Q C 1.935 177.817 176.000 -0.197 0.000 0.974 119 Q CA 2.011 57.745 55.803 -0.115 0.000 0.840 119 Q CB -0.445 28.290 28.738 -0.006 0.000 0.898 119 Q HN 0.435 nan 8.270 nan 0.000 0.430 120 N N -0.400 118.231 118.700 -0.116 0.000 2.061 120 N HA -0.193 4.537 4.740 -0.017 0.000 0.193 120 N C 1.452 176.852 175.510 -0.182 0.000 1.030 120 N CA 1.069 54.061 53.050 -0.098 0.000 0.856 120 N CB -0.168 38.311 38.487 -0.012 0.000 1.023 120 N HN 0.180 nan 8.380 nan 0.000 0.424 121 L N 0.411 121.449 121.223 -0.309 0.000 2.012 121 L HA -0.207 4.123 4.340 -0.017 0.000 0.210 121 L C 1.620 178.243 176.870 -0.412 0.000 1.073 121 L CA 1.153 55.761 54.840 -0.387 0.000 0.748 121 L CB -0.312 41.333 42.059 -0.690 0.000 0.891 121 L HN 0.248 nan 8.230 nan 0.000 0.431 122 I N -0.029 120.209 120.570 -0.554 0.000 2.072 122 I HA -0.280 3.880 4.170 -0.017 0.000 0.235 122 I C 2.797 178.594 176.117 -0.534 0.000 1.058 122 I CA 2.058 62.997 61.300 -0.601 0.000 1.320 122 I CB -1.937 35.717 38.000 -0.576 0.000 1.047 122 I HN 0.385 nan 8.210 nan 0.000 0.397 123 T N -1.060 113.285 114.554 -0.348 0.000 2.620 123 T HA -0.272 4.068 4.350 -0.017 0.000 0.267 123 T C 1.860 176.503 174.700 -0.095 0.000 1.044 123 T CA 2.633 64.626 62.100 -0.180 0.000 1.161 123 T CB -1.341 67.465 68.868 -0.104 0.000 0.862 123 T HN 0.284 nan 8.240 nan 0.000 0.438 124 T N 2.193 116.690 114.554 -0.094 0.000 2.674 124 T HA 0.120 4.460 4.350 -0.017 0.000 0.265 124 T C 2.540 177.236 174.700 -0.006 0.000 1.039 124 T CA 1.436 63.514 62.100 -0.035 0.000 1.150 124 T CB -0.959 67.893 68.868 -0.026 0.000 0.864 124 T HN 0.636 nan 8.240 nan 0.000 0.427 125 A N 0.957 123.756 122.820 -0.035 0.000 1.940 125 A HA -0.181 4.129 4.320 -0.017 0.000 0.219 125 A C 1.985 179.642 177.584 0.122 0.000 1.176 125 A CA 1.615 53.668 52.037 0.027 0.000 0.631 125 A CB -0.908 18.085 19.000 -0.012 0.000 0.814 125 A HN 0.706 nan 8.150 nan 0.000 0.446 126 H N -1.325 117.719 119.070 -0.043 0.000 2.470 126 H HA 0.088 4.634 4.556 -0.017 0.000 0.289 126 H C 2.489 177.799 175.328 -0.030 0.000 1.033 126 H CA 0.426 56.451 56.048 -0.038 0.000 1.331 126 H CB 0.124 29.863 29.762 -0.037 0.000 1.414 126 H HN 0.587 nan 8.280 nan 0.000 0.545 127 A N 1.234 124.117 122.820 0.105 0.000 1.898 127 A HA -0.141 4.169 4.320 -0.017 0.000 0.216 127 A C 1.970 179.574 177.584 0.034 0.000 1.181 127 A CA 1.308 53.376 52.037 0.051 0.000 0.620 127 A CB -0.125 18.894 19.000 0.031 0.000 0.819 127 A HN 0.097 nan 8.150 nan 0.000 0.442 128 K N -0.605 119.819 120.400 0.039 0.000 2.522 128 K HA 0.269 4.579 4.320 -0.017 0.000 0.194 128 K C 0.665 177.276 176.600 0.019 0.000 1.026 128 K CA 0.645 56.951 56.287 0.032 0.000 1.119 128 K CB -0.494 32.036 32.500 0.050 0.000 0.856 128 K HN 0.680 nan 8.250 nan 0.000 0.513 129 G N 1.354 110.159 108.800 0.009 0.000 2.333 129 G HA2 -0.249 3.701 3.960 -0.017 0.000 0.296 129 G HA3 -0.249 3.701 3.960 -0.017 0.000 0.296 129 G C -0.285 174.593 174.900 -0.038 0.000 1.059 129 G CA 0.151 45.233 45.100 -0.031 0.000 1.050 129 G HN 0.291 nan 8.290 nan 0.000 0.508 130 I N -0.486 120.081 120.570 -0.005 0.000 2.534 130 I HA 0.336 4.496 4.170 -0.017 0.000 0.288 130 I C 0.389 176.529 176.117 0.039 0.000 1.077 130 I CA -0.991 60.306 61.300 -0.005 0.000 1.051 130 I CB 1.892 39.897 38.000 0.009 0.000 1.234 130 I HN 0.017 nan 8.210 nan 0.000 0.425 131 K N 5.316 125.714 120.400 -0.004 0.000 2.138 131 K HA 0.545 4.855 4.320 -0.017 0.000 0.251 131 K C -0.718 175.980 176.600 0.162 0.000 1.015 131 K CA -0.526 55.797 56.287 0.059 0.000 0.917 131 K CB 1.218 33.695 32.500 -0.038 0.000 1.021 131 K HN 0.356 nan 8.250 nan 0.000 0.485 132 I N 2.676 123.382 120.570 0.227 0.000 2.411 132 I HA 0.194 4.354 4.170 -0.017 0.000 0.284 132 I C -0.456 175.809 176.117 0.247 0.000 1.012 132 I CA -0.622 60.790 61.300 0.188 0.000 1.119 132 I CB 1.289 39.341 38.000 0.085 0.000 1.261 132 I HN 0.268 nan 8.210 nan 0.000 0.448 133 V N 7.449 127.521 119.914 0.265 0.000 2.617 133 V HA 0.551 4.662 4.120 -0.017 0.000 0.298 133 V C 0.165 176.367 176.094 0.180 0.000 1.048 133 V CA -0.584 61.843 62.300 0.213 0.000 0.964 133 V CB 2.409 34.360 31.823 0.213 0.000 1.004 133 V HN 0.613 nan 8.190 nan 0.000 0.466 134 I N -0.181 120.434 120.570 0.076 0.000 2.730 134 I HA 0.648 4.808 4.170 -0.017 0.000 0.298 134 I C -0.666 175.465 176.117 0.023 0.000 1.089 134 I CA -0.760 60.594 61.300 0.091 0.000 1.041 134 I CB 2.102 40.119 38.000 0.029 0.000 1.235 134 I HN 0.350 nan 8.210 nan 0.000 0.423 135 D N 3.505 123.986 120.400 0.134 0.000 2.341 135 D HA 0.417 5.047 4.640 -0.017 0.000 0.245 135 D C -1.658 174.786 176.300 0.241 0.000 1.106 135 D CA 0.447 54.545 54.000 0.164 0.000 0.905 135 D CB 1.423 42.376 40.800 0.255 0.000 1.202 135 D HN 0.476 nan 8.370 nan 0.000 0.426 136 F N 1.232 121.221 119.950 0.065 0.000 2.630 136 F HA 0.445 4.963 4.527 -0.015 0.000 0.325 136 F C -1.043 174.865 175.800 0.179 0.000 1.184 136 F CA -0.849 57.235 58.000 0.141 0.000 1.011 136 F CB 1.596 40.691 39.000 0.158 0.000 1.268 136 F HN 0.282 nan 8.300 nan 0.000 0.480 137 A N 7.558 130.394 122.820 0.028 0.000 2.644 137 A HA 0.536 4.846 4.320 -0.017 0.000 0.343 137 A C -2.358 175.132 177.584 -0.157 0.000 1.324 137 A CA -1.213 50.828 52.037 0.008 0.000 0.846 137 A CB -0.025 19.034 19.000 0.099 0.000 1.128 137 A HN 0.440 nan 8.150 nan 0.000 0.484 138 P HA -0.009 nan 4.420 nan 0.000 0.255 138 P C 0.446 177.472 177.300 -0.456 0.000 1.301 138 P CA 0.414 62.981 63.100 -0.889 0.000 0.817 138 P CB 0.133 30.991 31.700 -1.404 0.000 1.259 139 N N 0.898 119.543 118.700 -0.093 0.000 2.446 139 N HA -0.077 4.653 4.740 -0.017 0.000 0.179 139 N C 0.605 176.356 175.510 0.403 0.000 1.054 139 N CA 0.311 53.473 53.050 0.188 0.000 0.905 139 N CB 0.003 38.651 38.487 0.269 0.000 0.973 139 N HN 0.283 nan 8.380 nan 0.000 0.448 140 H N -4.969 114.351 119.070 0.417 0.000 2.887 140 H HA 0.208 4.756 4.556 -0.015 0.000 0.290 140 H C -0.401 175.206 175.328 0.466 0.000 1.429 140 H CA -0.080 56.156 56.048 0.314 0.000 1.137 140 H CB 0.309 30.138 29.762 0.112 0.000 1.824 140 H HN -0.010 nan 8.280 nan 0.000 0.520 141 T N -0.325 114.412 114.554 0.305 0.000 3.507 141 T HA 0.357 4.697 4.350 -0.017 0.000 0.197 141 T C 0.718 175.590 174.700 0.287 0.000 0.847 141 T CA 0.752 63.034 62.100 0.303 0.000 1.531 141 T CB -0.584 68.376 68.868 0.154 0.000 1.834 141 T HN 0.855 nan 8.240 nan 0.000 0.433 142 S N 0.745 116.477 115.700 0.053 0.000 2.685 142 S HA 0.681 5.141 4.470 -0.017 0.000 0.282 142 S C -3.330 171.046 174.600 -0.373 0.000 1.159 142 S CA -1.643 56.474 58.200 -0.138 0.000 0.833 142 S CB 1.202 64.317 63.200 -0.141 0.000 1.151 142 S HN 0.175 nan 8.310 nan 0.000 0.485 143 P HA 0.447 nan 4.420 nan 0.000 0.266 143 P C -1.063 175.951 177.300 -0.477 0.000 1.193 143 P CA 0.340 63.135 63.100 -0.507 0.000 0.770 143 P CB 0.422 31.754 31.700 -0.615 0.000 0.836 144 A N 3.008 125.646 122.820 -0.303 0.000 2.577 144 A HA 0.633 4.943 4.320 -0.017 0.000 0.297 144 A C -1.364 176.175 177.584 -0.075 0.000 1.060 144 A CA -0.472 51.407 52.037 -0.263 0.000 0.697 144 A CB 1.003 19.662 19.000 -0.567 0.000 1.281 144 A HN 0.487 nan 8.150 nan 0.000 0.402 145 M N 2.316 122.012 119.600 0.160 0.000 2.036 145 M HA 0.296 4.766 4.480 -0.017 0.000 0.337 145 M C 0.981 177.329 176.300 0.081 0.000 1.012 145 M CA -0.330 55.014 55.300 0.073 0.000 0.962 145 M CB 0.964 33.573 32.600 0.016 0.000 1.423 145 M HN 1.016 nan 8.290 nan 0.000 0.405 146 E N 1.666 121.952 120.200 0.143 0.000 2.136 146 E HA -0.237 4.103 4.350 -0.017 0.000 0.208 146 E C 0.651 177.321 176.600 0.116 0.000 1.035 146 E CA 2.520 59.087 56.400 0.278 0.000 0.838 146 E CB 0.141 30.017 29.700 0.292 0.000 0.748 146 E HN 0.716 nan 8.360 nan 0.000 0.459 147 T N -1.751 112.835 114.554 0.054 0.000 3.284 147 T HA 0.233 4.573 4.350 -0.017 0.000 0.249 147 T C -0.405 174.300 174.700 0.008 0.000 0.944 147 T CA 0.039 62.148 62.100 0.015 0.000 0.919 147 T CB 0.174 69.037 68.868 -0.008 0.000 1.089 147 T HN 0.085 nan 8.240 nan 0.000 0.576 148 D N 0.891 121.310 120.400 0.033 0.000 2.266 148 D HA 0.071 4.701 4.640 -0.017 0.000 0.218 148 D C 1.094 177.434 176.300 0.068 0.000 1.311 148 D CA 0.009 54.030 54.000 0.036 0.000 0.918 148 D CB 0.814 41.623 40.800 0.015 0.000 1.530 148 D HN 0.171 nan 8.370 nan 0.000 0.514 149 T N -0.547 114.035 114.554 0.046 0.000 2.962 149 T HA -0.118 4.222 4.350 -0.017 0.000 0.270 149 T C 1.773 176.497 174.700 0.041 0.000 1.088 149 T CA 1.644 63.768 62.100 0.039 0.000 1.127 149 T CB 0.136 69.020 68.868 0.026 0.000 0.883 149 T HN 0.139 nan 8.240 nan 0.000 0.493 150 S N 0.306 116.038 115.700 0.053 0.000 2.382 150 S HA 0.022 4.482 4.470 -0.017 0.000 0.228 150 S C 0.470 175.122 174.600 0.087 0.000 1.027 150 S CA -0.135 58.098 58.200 0.055 0.000 0.991 150 S CB -0.878 62.351 63.200 0.048 0.000 0.823 150 S HN 0.572 nan 8.310 nan 0.000 0.469 151 F N 3.615 123.522 119.950 -0.072 0.000 2.519 151 F HA 0.417 4.945 4.527 0.001 0.000 0.381 151 F C 0.820 176.546 175.800 -0.123 0.000 1.076 151 F CA -0.099 57.836 58.000 -0.109 0.000 1.095 151 F CB -0.935 37.991 39.000 -0.124 0.000 1.046 151 F HN 0.524 nan 8.300 nan 0.000 0.559 152 A N 5.043 127.563 122.820 -0.501 0.000 5.813 152 A HA -0.329 3.981 4.320 -0.017 0.000 0.291 152 A C 1.302 178.732 177.584 -0.256 0.000 1.970 152 A CA 1.323 53.057 52.037 -0.505 0.000 0.717 152 A CB -1.292 17.184 19.000 -0.872 0.000 1.222 152 A HN 0.764 nan 8.150 nan 0.000 0.377 153 E N 1.239 121.299 120.200 -0.232 0.000 2.463 153 E HA 0.159 4.499 4.350 -0.017 0.000 0.193 153 E C 0.466 177.007 176.600 -0.099 0.000 1.041 153 E CA 0.394 56.731 56.400 -0.105 0.000 0.879 153 E CB -0.111 29.562 29.700 -0.044 0.000 0.997 153 E HN 0.643 nan 8.360 nan 0.000 0.478 154 N N 0.455 119.051 118.700 -0.173 0.000 2.758 154 N HA -0.210 4.520 4.740 -0.017 0.000 0.248 154 N C 0.643 176.044 175.510 -0.182 0.000 1.076 154 N CA 0.183 53.147 53.050 -0.143 0.000 0.696 154 N CB -0.950 37.510 38.487 -0.045 0.000 0.979 154 N HN 0.512 nan 8.380 nan 0.000 0.550 155 G N 0.279 108.929 108.800 -0.249 0.000 2.244 155 G HA2 -0.381 3.569 3.960 -0.017 0.000 0.274 155 G HA3 -0.381 3.569 3.960 -0.017 0.000 0.274 155 G C 0.311 175.148 174.900 -0.105 0.000 1.002 155 G CA 0.927 45.870 45.100 -0.262 0.000 0.740 155 G HN 0.671 nan 8.290 nan 0.000 0.516 156 R N -0.826 119.657 120.500 -0.028 0.000 2.537 156 R HA 0.263 4.593 4.340 -0.017 0.000 0.281 156 R C 0.278 176.633 176.300 0.092 0.000 0.988 156 R CA 0.006 56.119 56.100 0.022 0.000 1.077 156 R CB 0.299 30.615 30.300 0.026 0.000 0.932 156 R HN 0.319 nan 8.270 nan 0.000 0.409 157 L N 4.305 125.533 121.223 0.008 0.000 2.329 157 L HA 0.428 4.758 4.340 -0.017 0.000 0.279 157 L C -1.469 175.275 176.870 -0.210 0.000 1.014 157 L CA -0.439 54.430 54.840 0.048 0.000 0.814 157 L CB 1.137 43.218 42.059 0.036 0.000 1.257 157 L HN 0.403 nan 8.230 nan 0.000 0.424 158 Y N 1.790 122.124 120.300 0.056 0.000 2.598 158 Y HA 0.549 5.088 4.550 -0.018 0.000 0.340 158 Y C -0.514 175.492 175.900 0.177 0.000 1.038 158 Y CA -0.756 57.388 58.100 0.074 0.000 1.100 158 Y CB 1.647 40.152 38.460 0.075 0.000 1.281 158 Y HN 0.526 nan 8.280 nan 0.000 0.488 159 D N 1.643 122.235 120.400 0.320 0.000 2.469 159 D HA 0.116 4.746 4.640 -0.017 0.000 0.251 159 D C -0.428 175.994 176.300 0.204 0.000 1.173 159 D CA -0.335 53.858 54.000 0.322 0.000 0.882 159 D CB 0.387 41.336 40.800 0.249 0.000 1.129 159 D HN 0.666 nan 8.370 nan 0.000 0.549 160 N N 3.217 122.021 118.700 0.172 0.000 2.701 160 N HA -0.288 4.442 4.740 -0.017 0.000 0.252 160 N C 0.946 176.523 175.510 0.111 0.000 1.002 160 N CA 2.066 55.178 53.050 0.104 0.000 0.758 160 N CB -0.885 37.627 38.487 0.042 0.000 0.937 160 N HN 0.854 nan 8.380 nan 0.000 0.538 161 G N -3.123 105.780 108.800 0.172 0.000 2.604 161 G HA2 -0.252 3.698 3.960 -0.017 0.000 0.205 161 G HA3 -0.252 3.698 3.960 -0.017 0.000 0.205 161 G C 0.131 175.221 174.900 0.317 0.000 1.186 161 G CA 0.089 45.292 45.100 0.173 0.000 0.753 161 G HN 0.650 nan 8.290 nan 0.000 0.526 162 T N 2.640 117.324 114.554 0.216 0.000 2.829 162 T HA 0.387 4.727 4.350 -0.017 0.000 0.293 162 T C 0.474 175.244 174.700 0.117 0.000 0.970 162 T CA 0.362 62.558 62.100 0.160 0.000 1.168 162 T CB 1.545 70.469 68.868 0.092 0.000 0.911 162 T HN 0.862 nan 8.240 nan 0.000 0.535 163 L N 6.126 127.358 121.223 0.016 0.000 2.485 163 L HA 0.142 4.472 4.340 -0.017 0.000 0.279 163 L C 1.165 177.898 176.870 -0.229 0.000 1.124 163 L CA 0.111 54.751 54.840 -0.333 0.000 0.888 163 L CB 0.099 41.965 42.059 -0.322 0.000 1.217 163 L HN 0.527 nan 8.230 nan 0.000 0.464 164 V N 4.832 124.576 119.914 -0.284 0.000 2.244 164 V HA 0.212 4.322 4.120 -0.017 0.000 0.244 164 V C 1.261 177.233 176.094 -0.203 0.000 1.042 164 V CA 1.343 63.480 62.300 -0.272 0.000 1.006 164 V CB -0.955 30.597 31.823 -0.452 0.000 0.641 164 V HN 1.000 nan 8.190 nan 0.000 0.446 165 G N -2.254 106.430 108.800 -0.193 0.000 2.404 165 G HA2 0.512 4.462 3.960 -0.017 0.000 0.298 165 G HA3 0.512 4.462 3.960 -0.017 0.000 0.298 165 G C -0.543 174.434 174.900 0.128 0.000 1.577 165 G CA -0.211 44.911 45.100 0.037 0.000 0.847 165 G HN 0.489 nan 8.290 nan 0.000 0.598 166 G N -1.128 107.752 108.800 0.133 0.000 2.583 166 G HA2 0.463 4.413 3.960 -0.017 0.000 0.280 166 G HA3 0.463 4.413 3.960 -0.017 0.000 0.280 166 G C 0.382 175.348 174.900 0.111 0.000 1.376 166 G CA -0.171 44.983 45.100 0.090 0.000 1.043 166 G HN 0.662 nan 8.290 nan 0.000 0.538 167 Y N -0.407 119.770 120.300 -0.205 0.000 2.389 167 Y HA 0.208 4.749 4.550 -0.015 0.000 0.292 167 Y C 1.749 177.634 175.900 -0.024 0.000 1.117 167 Y CA 0.892 58.824 58.100 -0.281 0.000 1.195 167 Y CB 0.106 38.311 38.460 -0.424 0.000 1.076 167 Y HN 0.313 nan 8.280 nan 0.000 0.548 168 T N 2.419 117.004 114.554 0.053 0.000 2.897 168 T HA 0.108 4.448 4.350 -0.017 0.000 0.294 168 T C -0.324 174.349 174.700 -0.046 0.000 1.004 168 T CA -0.170 61.919 62.100 -0.018 0.000 1.106 168 T CB 0.390 69.268 68.868 0.017 0.000 0.949 168 T HN 0.338 nan 8.240 nan 0.000 0.520 169 N N 1.456 120.096 118.700 -0.099 0.000 2.738 169 N HA -0.151 4.579 4.740 -0.017 0.000 0.249 169 N C -0.805 174.666 175.510 -0.066 0.000 1.047 169 N CA 0.544 53.543 53.050 -0.086 0.000 0.707 169 N CB -1.050 37.411 38.487 -0.042 0.000 0.937 169 N HN 0.722 nan 8.380 nan 0.000 0.545 170 D N -0.299 120.034 120.400 -0.111 0.000 2.563 170 D HA 0.191 4.821 4.640 -0.017 0.000 0.222 170 D C 1.476 177.708 176.300 -0.114 0.000 1.145 170 D CA 0.271 54.261 54.000 -0.018 0.000 1.001 170 D CB 0.109 40.987 40.800 0.130 0.000 1.049 170 D HN 0.348 nan 8.370 nan 0.000 0.515 171 T N 0.446 114.930 114.554 -0.117 0.000 2.777 171 T HA -0.182 4.158 4.350 -0.017 0.000 0.266 171 T C 1.392 175.974 174.700 -0.196 0.000 1.040 171 T CA 0.911 62.926 62.100 -0.141 0.000 1.141 171 T CB -0.223 68.584 68.868 -0.101 0.000 0.868 171 T HN 0.301 nan 8.240 nan 0.000 0.444 172 N N 1.885 120.396 118.700 -0.315 0.000 2.381 172 N HA 0.051 4.781 4.740 -0.017 0.000 0.182 172 N C 1.337 176.554 175.510 -0.489 0.000 1.025 172 N CA 0.822 53.584 53.050 -0.481 0.000 0.888 172 N CB -0.515 37.445 38.487 -0.878 0.000 0.965 172 N HN 0.760 nan 8.380 nan 0.000 0.438 173 G N 1.175 109.748 108.800 -0.378 0.000 2.422 173 G HA2 -0.263 3.687 3.960 -0.017 0.000 0.290 173 G HA3 -0.263 3.687 3.960 -0.017 0.000 0.290 173 G C -0.127 174.633 174.900 -0.234 0.000 1.059 173 G CA -0.187 44.813 45.100 -0.166 0.000 1.242 173 G HN 0.360 nan 8.290 nan 0.000 0.520 174 Y N -1.068 119.156 120.300 -0.126 0.000 2.500 174 Y HA 0.471 5.011 4.550 -0.018 0.000 0.270 174 Y C 1.328 176.804 175.900 -0.706 0.000 1.134 174 Y CA -0.033 57.815 58.100 -0.420 0.000 1.293 174 Y CB 0.193 38.290 38.460 -0.605 0.000 1.063 174 Y HN 0.427 nan 8.280 nan 0.000 0.534 175 F N -2.248 117.635 119.950 -0.113 0.000 2.640 175 F HA 0.455 4.975 4.527 -0.013 0.000 0.324 175 F C -0.203 175.292 175.800 -0.508 0.000 1.077 175 F CA -1.647 56.124 58.000 -0.382 0.000 0.965 175 F CB 1.041 39.810 39.000 -0.386 0.000 1.351 175 F HN -0.252 nan 8.300 nan 0.000 0.487 176 H N -0.143 118.826 119.070 -0.168 0.000 2.467 176 H HA 0.372 4.918 4.556 -0.018 0.000 0.331 176 H C -0.748 174.298 175.328 -0.471 0.000 1.120 176 H CA -0.639 55.286 56.048 -0.205 0.000 1.270 176 H CB 0.935 30.685 29.762 -0.020 0.000 1.466 176 H HN 0.458 nan 8.280 nan 0.000 0.504 177 H N 2.598 121.726 119.070 0.096 0.000 2.429 177 H HA 0.138 4.683 4.556 -0.018 0.000 0.237 177 H C -0.305 175.033 175.328 0.016 0.000 1.378 177 H CA -0.193 55.859 56.048 0.007 0.000 1.170 177 H CB -0.086 29.594 29.762 -0.138 0.000 1.671 177 H HN 0.721 nan 8.280 nan 0.000 0.541 178 N N 0.600 119.351 118.700 0.086 0.000 2.275 178 N HA 0.235 4.965 4.740 -0.017 0.000 0.236 178 N C 0.907 176.421 175.510 0.008 0.000 1.154 178 N CA 0.274 53.337 53.050 0.022 0.000 0.866 178 N CB 1.466 39.938 38.487 -0.024 0.000 1.093 178 N HN 0.602 nan 8.380 nan 0.000 0.515 179 G N 0.028 108.851 108.800 0.037 0.000 2.750 179 G HA2 -0.179 3.771 3.960 -0.017 0.000 0.228 179 G HA3 -0.179 3.771 3.960 -0.017 0.000 0.228 179 G C 0.166 175.039 174.900 -0.045 0.000 1.367 179 G CA -0.671 44.429 45.100 0.000 0.000 0.871 179 G HN 0.339 nan 8.290 nan 0.000 0.560 180 G N -0.595 108.152 108.800 -0.088 0.000 2.442 180 G HA2 0.578 4.528 3.960 -0.017 0.000 0.249 180 G HA3 0.578 4.528 3.960 -0.017 0.000 0.249 180 G C 0.586 175.365 174.900 -0.201 0.000 1.263 180 G CA 1.343 46.350 45.100 -0.156 0.000 0.846 180 G HN 1.887 nan 8.290 nan 0.000 0.555 181 S N 0.153 115.681 115.700 -0.286 0.000 2.537 181 S HA 0.252 4.712 4.470 -0.017 0.000 0.275 181 S C 0.737 174.990 174.600 -0.579 0.000 1.272 181 S CA -0.200 57.801 58.200 -0.331 0.000 1.050 181 S CB 1.275 64.313 63.200 -0.271 0.000 0.961 181 S HN 0.644 nan 8.310 nan 0.000 0.496 182 D N 2.745 122.892 120.400 -0.421 0.000 2.402 182 D HA 0.124 4.754 4.640 -0.017 0.000 0.216 182 D C -0.034 176.071 176.300 -0.325 0.000 1.128 182 D CA -0.405 53.332 54.000 -0.438 0.000 0.833 182 D CB -0.692 39.979 40.800 -0.216 0.000 0.971 182 D HN 0.430 nan 8.370 nan 0.000 0.503 183 F N 0.602 120.497 119.950 -0.091 0.000 3.090 183 F HA -0.268 4.251 4.527 -0.014 0.000 0.282 183 F C 1.630 177.403 175.800 -0.044 0.000 0.923 183 F CA 0.351 58.307 58.000 -0.073 0.000 0.977 183 F CB -2.851 36.100 39.000 -0.083 0.000 0.954 183 F HN 0.222 nan 8.300 nan 0.000 0.695 184 S N -2.134 113.625 115.700 0.098 0.000 2.425 184 S HA 0.266 4.726 4.470 -0.017 0.000 0.225 184 S C 0.843 175.480 174.600 0.062 0.000 1.024 184 S CA 0.574 58.811 58.200 0.061 0.000 0.951 184 S CB 0.380 63.589 63.200 0.015 0.000 0.796 184 S HN 0.709 nan 8.310 nan 0.000 0.498 185 S N -0.069 115.667 115.700 0.060 0.000 2.618 185 S HA 0.617 5.077 4.470 -0.017 0.000 0.277 185 S C 0.237 174.871 174.600 0.056 0.000 1.138 185 S CA -0.762 57.475 58.200 0.061 0.000 0.844 185 S CB 1.344 64.569 63.200 0.042 0.000 1.127 185 S HN 0.108 nan 8.310 nan 0.000 0.474 186 L N 1.446 122.720 121.223 0.085 0.000 2.042 186 L HA -0.048 4.282 4.340 -0.017 0.000 0.210 186 L C 2.456 179.302 176.870 -0.040 0.000 1.076 186 L CA 2.680 57.564 54.840 0.073 0.000 0.749 186 L CB -0.937 41.255 42.059 0.223 0.000 0.893 186 L HN 1.010 nan 8.230 nan 0.000 0.432 187 E N -1.290 118.815 120.200 -0.159 0.000 2.216 187 E HA -0.245 4.095 4.350 -0.017 0.000 0.192 187 E C 1.918 178.422 176.600 -0.159 0.000 0.988 187 E CA 1.114 57.243 56.400 -0.452 0.000 0.834 187 E CB -0.678 28.314 29.700 -1.181 0.000 0.772 187 E HN 0.663 nan 8.360 nan 0.000 0.479 188 N N 0.569 119.223 118.700 -0.076 0.000 2.223 188 N HA -0.102 4.628 4.740 -0.017 0.000 0.185 188 N C 1.874 177.385 175.510 0.001 0.000 1.016 188 N CA 1.655 54.689 53.050 -0.027 0.000 0.863 188 N CB -0.265 38.214 38.487 -0.015 0.000 0.983 188 N HN 0.268 nan 8.380 nan 0.000 0.429 189 G N -0.636 108.186 108.800 0.036 0.000 2.623 189 G HA2 0.034 3.984 3.960 -0.017 0.000 0.214 189 G HA3 0.034 3.984 3.960 -0.017 0.000 0.214 189 G C 1.342 176.277 174.900 0.059 0.000 1.138 189 G CA 0.201 45.387 45.100 0.144 0.000 0.794 189 G HN 0.340 nan 8.290 nan 0.000 0.535 190 I N -1.239 119.240 120.570 -0.152 0.000 2.703 190 I HA 0.099 4.259 4.170 -0.017 0.000 0.259 190 I C 1.462 177.278 176.117 -0.502 0.000 1.151 190 I CA 0.523 61.607 61.300 -0.360 0.000 1.470 190 I CB 0.216 37.832 38.000 -0.640 0.000 1.112 190 I HN 0.078 nan 8.210 nan 0.000 0.437 191 Y N 0.864 121.117 120.300 -0.079 0.000 2.458 191 Y HA 0.306 4.845 4.550 -0.017 0.000 0.256 191 Y C 0.696 176.507 175.900 -0.148 0.000 1.159 191 Y CA -0.262 57.701 58.100 -0.228 0.000 1.261 191 Y CB 0.078 38.339 38.460 -0.332 0.000 1.119 191 Y HN -0.101 nan 8.280 nan 0.000 0.524 192 K N 0.537 120.953 120.400 0.027 0.000 2.281 192 K HA 0.286 4.596 4.320 -0.017 0.000 0.242 192 K C -0.447 176.146 176.600 -0.012 0.000 0.971 192 K CA -1.097 55.194 56.287 0.006 0.000 0.834 192 K CB 0.986 33.457 32.500 -0.049 0.000 1.181 192 K HN -0.058 nan 8.250 nan 0.000 0.435 193 N N 0.796 119.471 118.700 -0.042 0.000 2.416 193 N HA -0.001 4.729 4.740 -0.017 0.000 0.246 193 N C -0.510 174.871 175.510 -0.216 0.000 1.260 193 N CA 0.524 53.508 53.050 -0.110 0.000 0.897 193 N CB 0.537 38.941 38.487 -0.139 0.000 1.110 193 N HN 0.362 nan 8.380 nan 0.000 0.439 194 T N 2.393 116.771 114.554 -0.293 0.000 2.801 194 T HA 0.345 4.685 4.350 -0.017 0.000 0.306 194 T C -0.602 173.816 174.700 -0.471 0.000 1.020 194 T CA 0.029 61.838 62.100 -0.486 0.000 0.948 194 T CB -0.205 68.287 68.868 -0.627 0.000 0.962 194 T HN 0.395 nan 8.240 nan 0.000 0.465 195 Y N 1.548 121.720 120.300 -0.213 0.000 2.916 195 Y HA -0.274 4.265 4.550 -0.019 0.000 0.465 195 Y C 1.252 177.028 175.900 -0.206 0.000 1.210 195 Y CA 0.957 58.935 58.100 -0.203 0.000 2.458 195 Y CB -1.024 37.323 38.460 -0.188 0.000 1.246 195 Y HN 0.698 nan 8.280 nan 0.000 0.635 196 D N 1.187 121.594 120.400 0.012 0.000 2.427 196 D HA 0.222 4.852 4.640 -0.017 0.000 0.224 196 D C -0.270 175.919 176.300 -0.186 0.000 1.157 196 D CA 0.151 54.107 54.000 -0.073 0.000 0.828 196 D CB -0.718 40.107 40.800 0.041 0.000 0.974 196 D HN 0.397 nan 8.370 nan 0.000 0.498 197 L N 1.213 122.306 121.223 -0.217 0.000 2.313 197 L HA 0.364 4.694 4.340 -0.017 0.000 0.282 197 L C 0.820 177.511 176.870 -0.299 0.000 1.092 197 L CA -0.911 53.756 54.840 -0.288 0.000 0.831 197 L CB 1.017 42.833 42.059 -0.405 0.000 1.159 197 L HN 0.006 nan 8.230 nan 0.000 0.442 198 A N 2.749 125.331 122.820 -0.397 0.000 2.515 198 A HA -0.066 4.244 4.320 -0.017 0.000 0.276 198 A C 0.087 177.593 177.584 -0.130 0.000 1.104 198 A CA -0.043 51.694 52.037 -0.500 0.000 0.822 198 A CB -0.536 18.033 19.000 -0.719 0.000 1.016 198 A HN 0.683 nan 8.150 nan 0.000 0.530 199 D N 2.388 122.782 120.400 -0.010 0.000 2.325 199 D HA 0.378 5.008 4.640 -0.017 0.000 0.251 199 D C -0.295 175.967 176.300 -0.064 0.000 1.196 199 D CA -0.062 53.961 54.000 0.038 0.000 0.866 199 D CB 0.014 40.864 40.800 0.085 0.000 1.101 199 D HN 0.308 nan 8.370 nan 0.000 0.476 200 F N 2.677 122.539 119.950 -0.147 0.000 2.518 200 F HA 0.083 4.601 4.527 -0.014 0.000 0.359 200 F C 1.388 176.579 175.800 -1.015 0.000 1.118 200 F CA -0.135 57.512 58.000 -0.589 0.000 1.287 200 F CB 0.321 38.893 39.000 -0.713 0.000 1.132 200 F HN 0.277 nan 8.300 nan 0.000 0.587 201 N N 2.196 120.492 118.700 -0.674 0.000 2.801 201 N HA 0.110 4.840 4.740 -0.017 0.000 0.235 201 N C -0.146 175.140 175.510 -0.373 0.000 1.069 201 N CA -0.361 52.356 53.050 -0.555 0.000 0.946 201 N CB -0.240 38.077 38.487 -0.284 0.000 1.212 201 N HN 0.475 nan 8.380 nan 0.000 0.509 202 H N 0.657 119.560 119.070 -0.277 0.000 2.574 202 H HA 0.079 4.625 4.556 -0.017 0.000 0.277 202 H C 1.027 176.217 175.328 -0.229 0.000 1.058 202 H CA 0.221 55.960 56.048 -0.516 0.000 1.171 202 H CB 0.068 29.048 29.762 -1.303 0.000 1.304 202 H HN 0.532 nan 8.280 nan 0.000 0.620 203 N N 0.704 119.425 118.700 0.035 0.000 2.236 203 N HA -0.068 4.662 4.740 -0.017 0.000 0.196 203 N C -0.351 175.201 175.510 0.070 0.000 1.114 203 N CA -0.041 53.072 53.050 0.104 0.000 0.859 203 N CB 0.264 38.837 38.487 0.145 0.000 0.982 203 N HN 0.333 nan 8.380 nan 0.000 0.493 204 N N 0.345 119.061 118.700 0.027 0.000 2.437 204 N HA 0.224 4.954 4.740 -0.017 0.000 0.243 204 N C 1.080 176.633 175.510 0.072 0.000 1.041 204 N CA -0.159 52.911 53.050 0.032 0.000 0.940 204 N CB 1.133 39.631 38.487 0.018 0.000 1.133 204 N HN 0.061 nan 8.380 nan 0.000 0.506 205 A N 2.719 125.592 122.820 0.089 0.000 2.009 205 A HA -0.234 4.076 4.320 -0.017 0.000 0.222 205 A C 2.023 179.678 177.584 0.117 0.000 1.175 205 A CA 2.132 54.237 52.037 0.113 0.000 0.651 205 A CB -0.900 18.160 19.000 0.100 0.000 0.815 205 A HN 0.726 nan 8.150 nan 0.000 0.459 206 T N 0.072 114.694 114.554 0.115 0.000 2.777 206 T HA -0.085 4.255 4.350 -0.017 0.000 0.266 206 T C 1.767 176.502 174.700 0.058 0.000 1.040 206 T CA 1.389 63.557 62.100 0.113 0.000 1.141 206 T CB -0.238 68.751 68.868 0.202 0.000 0.868 206 T HN 0.350 nan 8.240 nan 0.000 0.444 207 I N 1.688 122.272 120.570 0.023 0.000 2.233 207 I HA -0.079 4.081 4.170 -0.017 0.000 0.243 207 I C 2.394 178.561 176.117 0.084 0.000 1.093 207 I CA 1.258 62.496 61.300 -0.104 0.000 1.380 207 I CB -1.361 36.533 38.000 -0.176 0.000 1.067 207 I HN 0.277 nan 8.210 nan 0.000 0.413 208 D N 1.043 121.539 120.400 0.161 0.000 2.133 208 D HA -0.287 4.343 4.640 -0.017 0.000 0.195 208 D C 2.172 178.695 176.300 0.371 0.000 0.997 208 D CA 1.777 55.996 54.000 0.366 0.000 0.840 208 D CB 0.124 41.138 40.800 0.357 0.000 0.947 208 D HN 0.096 nan 8.370 nan 0.000 0.452 209 K N -0.739 119.801 120.400 0.233 0.000 2.025 209 K HA -0.203 4.107 4.320 -0.017 0.000 0.207 209 K C 2.144 178.836 176.600 0.154 0.000 1.049 209 K CA 1.376 57.771 56.287 0.180 0.000 0.933 209 K CB -1.097 31.477 32.500 0.123 0.000 0.714 209 K HN 0.352 nan 8.250 nan 0.000 0.438 210 Y N 0.040 120.306 120.300 -0.057 0.000 2.069 210 Y HA -0.280 4.260 4.550 -0.016 0.000 0.278 210 Y C 1.666 177.453 175.900 -0.188 0.000 1.175 210 Y CA 2.417 60.384 58.100 -0.221 0.000 1.134 210 Y CB -0.435 37.714 38.460 -0.518 0.000 0.965 210 Y HN 0.107 nan 8.280 nan 0.000 0.498 211 F N 0.419 120.505 119.950 0.226 0.000 2.234 211 F HA -0.107 4.410 4.527 -0.018 0.000 0.299 211 F C 2.220 178.275 175.800 0.426 0.000 1.087 211 F CA 1.562 59.713 58.000 0.252 0.000 1.340 211 F CB -0.475 38.612 39.000 0.145 0.000 1.031 211 F HN -0.007 nan 8.300 nan 0.000 0.500 212 K N -0.061 120.658 120.400 0.532 0.000 2.097 212 K HA -0.149 4.161 4.320 -0.017 0.000 0.205 212 K C 1.423 178.113 176.600 0.150 0.000 1.050 212 K CA 1.730 58.244 56.287 0.379 0.000 0.938 212 K CB -0.300 32.357 32.500 0.262 0.000 0.718 212 K HN 0.203 nan 8.250 nan 0.000 0.442 213 D N 0.639 121.079 120.400 0.066 0.000 2.149 213 D HA -0.065 4.565 4.640 -0.017 0.000 0.201 213 D C 1.812 178.064 176.300 -0.081 0.000 0.972 213 D CA 1.052 55.018 54.000 -0.057 0.000 0.835 213 D CB 0.005 40.741 40.800 -0.108 0.000 0.966 213 D HN 0.185 nan 8.370 nan 0.000 0.476 214 A N 0.655 123.440 122.820 -0.059 0.000 1.858 214 A HA -0.156 4.154 4.320 -0.017 0.000 0.216 214 A C 2.139 179.881 177.584 0.263 0.000 1.190 214 A CA 0.976 53.054 52.037 0.069 0.000 0.617 214 A CB -0.816 18.293 19.000 0.182 0.000 0.827 214 A HN 0.212 nan 8.150 nan 0.000 0.443 215 I N -0.548 120.214 120.570 0.320 0.000 2.335 215 I HA -0.188 3.972 4.170 -0.017 0.000 0.251 215 I C 2.097 178.204 176.117 -0.018 0.000 1.129 215 I CA 1.708 63.068 61.300 0.100 0.000 1.402 215 I CB -0.292 37.711 38.000 0.005 0.000 1.069 215 I HN 0.182 nan 8.210 nan 0.000 0.424 216 K N -0.062 120.276 120.400 -0.102 0.000 2.044 216 K HA -0.211 4.099 4.320 -0.017 0.000 0.210 216 K C 1.983 178.480 176.600 -0.171 0.000 1.049 216 K CA 1.705 57.840 56.287 -0.255 0.000 0.927 216 K CB -0.766 31.532 32.500 -0.336 0.000 0.713 216 K HN 0.327 nan 8.250 nan 0.000 0.443 217 L N -0.492 120.621 121.223 -0.182 0.000 2.013 217 L HA -0.174 4.156 4.340 -0.017 0.000 0.212 217 L C 1.729 178.403 176.870 -0.328 0.000 1.073 217 L CA 1.865 56.524 54.840 -0.302 0.000 0.753 217 L CB -0.516 41.268 42.059 -0.459 0.000 0.890 217 L HN 0.342 nan 8.230 nan 0.000 0.432 218 W N -0.802 120.463 121.300 -0.058 0.000 2.402 218 W HA -0.073 4.577 4.660 -0.016 0.000 0.286 218 W C 2.333 178.849 176.519 -0.005 0.000 1.221 218 W CA 0.613 57.923 57.345 -0.058 0.000 1.257 218 W CB -0.321 29.076 29.460 -0.106 0.000 1.120 218 W HN 0.122 nan 8.180 nan 0.000 0.551 219 L N -0.182 121.130 121.223 0.149 0.000 2.109 219 L HA -0.165 4.165 4.340 -0.017 0.000 0.207 219 L C 1.753 178.707 176.870 0.139 0.000 1.086 219 L CA 1.076 55.996 54.840 0.132 0.000 0.760 219 L CB -0.617 41.492 42.059 0.083 0.000 0.910 219 L HN -0.151 nan 8.230 nan 0.000 0.437 220 D N -0.458 119.998 120.400 0.093 0.000 2.310 220 D HA -0.121 4.509 4.640 -0.017 0.000 0.212 220 D C 2.139 178.487 176.300 0.081 0.000 0.965 220 D CA 0.919 54.973 54.000 0.090 0.000 0.879 220 D CB 0.085 40.914 40.800 0.048 0.000 0.921 220 D HN 0.283 nan 8.370 nan 0.000 0.510 221 M N -1.292 118.374 119.600 0.110 0.000 2.506 221 M HA 0.132 4.602 4.480 -0.017 0.000 0.260 221 M C 1.242 177.641 176.300 0.164 0.000 1.104 221 M CA 0.800 56.196 55.300 0.160 0.000 1.112 221 M CB 0.404 33.183 32.600 0.298 0.000 1.401 221 M HN 0.146 nan 8.290 nan 0.000 0.473 222 G N 1.300 110.208 108.800 0.181 0.000 2.154 222 G HA2 -0.169 3.781 3.960 -0.017 0.000 0.186 222 G HA3 -0.169 3.781 3.960 -0.017 0.000 0.186 222 G C 0.121 175.163 174.900 0.236 0.000 1.000 222 G CA 0.113 45.324 45.100 0.184 0.000 0.664 222 G HN 0.470 nan 8.290 nan 0.000 0.513 223 V N -1.008 119.062 119.914 0.261 0.000 2.901 223 V HA 0.433 4.543 4.120 -0.017 0.000 0.307 223 V C 0.923 177.170 176.094 0.254 0.000 1.084 223 V CA 1.138 63.598 62.300 0.266 0.000 1.184 223 V CB 1.110 33.096 31.823 0.271 0.000 0.941 223 V HN 0.156 nan 8.190 nan 0.000 0.493 224 D N 3.482 124.054 120.400 0.286 0.000 2.360 224 D HA 0.335 4.965 4.640 -0.017 0.000 0.210 224 D C 0.626 177.182 176.300 0.426 0.000 1.047 224 D CA 1.291 55.482 54.000 0.318 0.000 0.854 224 D CB 0.981 41.948 40.800 0.278 0.000 0.936 224 D HN 1.000 nan 8.370 nan 0.000 0.514 225 G N 0.012 108.991 108.800 0.300 0.000 2.550 225 G HA2 0.588 4.538 3.960 -0.017 0.000 0.293 225 G HA3 0.588 4.538 3.960 -0.017 0.000 0.293 225 G C -1.747 173.162 174.900 0.014 0.000 1.402 225 G CA -0.728 44.482 45.100 0.184 0.000 0.784 225 G HN 0.012 nan 8.290 nan 0.000 0.482 226 I N -0.179 120.303 120.570 -0.147 0.000 2.722 226 I HA 0.553 4.713 4.170 -0.017 0.000 0.295 226 I C -0.630 175.097 176.117 -0.650 0.000 1.161 226 I CA -0.983 60.156 61.300 -0.268 0.000 1.032 226 I CB 2.609 40.486 38.000 -0.203 0.000 1.244 226 I HN 0.269 nan 8.210 nan 0.000 0.421 227 R N 4.777 124.853 120.500 -0.707 0.000 2.320 227 R HA 0.520 4.850 4.340 -0.017 0.000 0.319 227 R C -1.603 174.432 176.300 -0.441 0.000 0.969 227 R CA -0.628 54.779 56.100 -1.155 0.000 0.857 227 R CB 1.528 31.052 30.300 -1.295 0.000 1.160 227 R HN 0.477 nan 8.270 nan 0.000 0.491 228 V N 4.155 123.878 119.914 -0.319 0.000 2.461 228 V HA 0.071 4.181 4.120 -0.017 0.000 0.275 228 V C 0.538 176.642 176.094 0.016 0.000 1.047 228 V CA -0.605 61.690 62.300 -0.008 0.000 0.955 228 V CB 1.266 33.152 31.823 0.104 0.000 0.988 228 V HN 0.610 nan 8.190 nan 0.000 0.471 229 D N 4.105 124.566 120.400 0.102 0.000 2.304 229 D HA 0.480 5.110 4.640 -0.017 0.000 0.247 229 D C 0.780 177.134 176.300 0.090 0.000 1.089 229 D CA 0.562 54.640 54.000 0.130 0.000 0.910 229 D CB 1.091 42.016 40.800 0.208 0.000 1.199 229 D HN 1.063 nan 8.370 nan 0.000 0.426 230 A N 2.460 125.331 122.820 0.084 0.000 2.511 230 A HA -0.173 4.137 4.320 -0.017 0.000 0.297 230 A C 1.516 179.074 177.584 -0.044 0.000 1.476 230 A CA 1.006 53.098 52.037 0.092 0.000 0.757 230 A CB -2.229 16.910 19.000 0.231 0.000 1.072 230 A HN 1.096 nan 8.150 nan 0.000 0.413 231 V N -1.746 118.078 119.914 -0.150 0.000 2.913 231 V HA -0.136 3.974 4.120 -0.017 0.000 0.260 231 V C 1.890 177.663 176.094 -0.535 0.000 1.098 231 V CA 2.461 64.631 62.300 -0.216 0.000 1.121 231 V CB -0.601 31.102 31.823 -0.199 0.000 0.714 231 V HN 0.702 nan 8.190 nan 0.000 0.487 232 K N -0.475 119.381 120.400 -0.908 0.000 2.365 232 K HA -0.078 4.232 4.320 -0.017 0.000 0.199 232 K C 1.491 177.363 176.600 -1.215 0.000 1.045 232 K CA 1.108 56.432 56.287 -1.605 0.000 0.962 232 K CB -0.113 31.219 32.500 -1.947 0.000 0.759 232 K HN 0.747 nan 8.250 nan 0.000 0.469 233 H N -0.904 117.933 119.070 -0.388 0.000 2.592 233 H HA 0.236 4.783 4.556 -0.015 0.000 0.279 233 H C -0.170 175.067 175.328 -0.152 0.000 1.089 233 H CA -0.032 55.868 56.048 -0.248 0.000 1.150 233 H CB 0.288 29.936 29.762 -0.190 0.000 1.575 233 H HN 0.118 nan 8.280 nan 0.000 0.547 234 M N 1.023 120.588 119.600 -0.058 0.000 2.602 234 M HA 0.367 4.837 4.480 -0.017 0.000 0.312 234 M C -2.621 173.730 176.300 0.086 0.000 1.181 234 M CA -1.960 53.357 55.300 0.028 0.000 0.910 234 M CB 2.754 35.390 32.600 0.059 0.000 1.723 234 M HN -0.207 nan 8.290 nan 0.000 0.459 235 P HA 0.025 nan 4.420 nan 0.000 0.267 235 P C 0.283 177.751 177.300 0.280 0.000 1.205 235 P CA -0.031 63.186 63.100 0.194 0.000 0.765 235 P CB 0.504 32.347 31.700 0.239 0.000 0.828 236 L N 3.724 125.126 121.223 0.298 0.000 2.141 236 L HA -0.066 4.264 4.340 -0.017 0.000 0.209 236 L C 2.134 179.073 176.870 0.113 0.000 1.094 236 L CA 2.123 57.110 54.840 0.245 0.000 0.763 236 L CB -0.959 41.237 42.059 0.227 0.000 0.908 236 L HN 0.494 nan 8.230 nan 0.000 0.437 237 G N -0.379 108.499 108.800 0.130 0.000 2.446 237 G HA2 -0.382 3.568 3.960 -0.017 0.000 0.217 237 G HA3 -0.382 3.568 3.960 -0.017 0.000 0.217 237 G C 1.231 176.218 174.900 0.147 0.000 1.168 237 G CA 0.876 46.052 45.100 0.127 0.000 0.771 237 G HN 0.690 nan 8.290 nan 0.000 0.551 238 W N 1.337 122.668 121.300 0.052 0.000 2.409 238 W HA 0.001 4.651 4.660 -0.016 0.000 0.299 238 W C 2.800 179.336 176.519 0.029 0.000 1.203 238 W CA 1.511 58.877 57.345 0.035 0.000 1.298 238 W CB -0.121 29.333 29.460 -0.011 0.000 1.127 238 W HN 0.290 nan 8.180 nan 0.000 0.528 239 Q N 0.423 120.098 119.800 -0.208 0.000 2.170 239 Q HA -0.259 4.071 4.340 -0.017 0.000 0.203 239 Q C 2.138 177.970 176.000 -0.279 0.000 0.976 239 Q CA 1.861 57.446 55.803 -0.365 0.000 0.858 239 Q CB -0.404 28.362 28.738 0.048 0.000 0.907 239 Q HN 0.392 nan 8.270 nan 0.000 0.433 240 K N 0.495 120.769 120.400 -0.210 0.000 2.025 240 K HA -0.142 4.168 4.320 -0.017 0.000 0.207 240 K C 2.356 178.827 176.600 -0.214 0.000 1.049 240 K CA 1.446 57.618 56.287 -0.192 0.000 0.933 240 K CB -0.197 32.230 32.500 -0.122 0.000 0.714 240 K HN 0.035 nan 8.250 nan 0.000 0.438 241 S N -0.011 115.565 115.700 -0.206 0.000 2.370 241 S HA -0.203 4.257 4.470 -0.017 0.000 0.226 241 S C 1.729 176.186 174.600 -0.238 0.000 1.033 241 S CA 1.453 59.549 58.200 -0.173 0.000 1.011 241 S CB -0.525 62.614 63.200 -0.102 0.000 0.852 241 S HN 0.614 nan 8.310 nan 0.000 0.457 242 W N 1.246 122.128 121.300 -0.697 0.000 2.358 242 W HA -0.032 4.619 4.660 -0.015 0.000 0.303 242 W C 2.097 178.328 176.519 -0.480 0.000 1.208 242 W CA 1.646 58.580 57.345 -0.684 0.000 1.274 242 W CB -0.672 28.055 29.460 -1.222 0.000 1.138 242 W HN 0.328 nan 8.180 nan 0.000 0.515 243 M N 0.758 120.073 119.600 -0.475 0.000 2.213 243 M HA -0.150 4.320 4.480 -0.017 0.000 0.263 243 M C 2.439 178.293 176.300 -0.744 0.000 1.062 243 M CA 2.179 57.044 55.300 -0.724 0.000 1.105 243 M CB -0.780 31.485 32.600 -0.558 0.000 1.385 243 M HN 0.131 nan 8.290 nan 0.000 0.417 244 S N -1.655 113.799 115.700 -0.410 0.000 2.470 244 S HA -0.041 4.419 4.470 -0.017 0.000 0.225 244 S C 1.942 176.440 174.600 -0.170 0.000 1.006 244 S CA 0.887 58.951 58.200 -0.227 0.000 0.934 244 S CB -0.855 62.285 63.200 -0.100 0.000 0.778 244 S HN 0.573 nan 8.310 nan 0.000 0.517 245 S N 1.670 117.236 115.700 -0.223 0.000 2.428 245 S HA 0.137 4.597 4.470 -0.017 0.000 0.230 245 S C 1.752 176.245 174.600 -0.178 0.000 1.014 245 S CA 0.528 58.640 58.200 -0.146 0.000 0.957 245 S CB -0.761 62.370 63.200 -0.116 0.000 0.784 245 S HN 0.578 nan 8.310 nan 0.000 0.499 246 I N -0.151 120.201 120.570 -0.363 0.000 2.277 246 I HA -0.051 4.109 4.170 -0.017 0.000 0.243 246 I C 2.016 178.102 176.117 -0.051 0.000 1.094 246 I CA 1.003 62.102 61.300 -0.335 0.000 1.393 246 I CB -0.435 37.174 38.000 -0.651 0.000 1.078 246 I HN 0.206 nan 8.210 nan 0.000 0.417 247 Y N 1.003 121.225 120.300 -0.130 0.000 2.497 247 Y HA -0.035 4.505 4.550 -0.016 0.000 0.292 247 Y C 2.491 178.377 175.900 -0.023 0.000 1.137 247 Y CA 0.346 58.410 58.100 -0.059 0.000 1.285 247 Y CB -1.120 37.307 38.460 -0.056 0.000 0.991 247 Y HN 0.134 nan 8.280 nan 0.000 0.556 248 A N -1.631 121.261 122.820 0.119 0.000 2.132 248 A HA -0.072 4.238 4.320 -0.017 0.000 0.213 248 A C 2.048 179.682 177.584 0.083 0.000 1.154 248 A CA 0.886 52.972 52.037 0.082 0.000 0.753 248 A CB -0.484 18.547 19.000 0.053 0.000 0.826 248 A HN 0.479 nan 8.150 nan 0.000 0.469 249 H N -0.395 118.676 119.070 0.002 0.000 2.300 249 H HA 0.309 4.855 4.556 -0.016 0.000 0.322 249 H C -0.325 175.011 175.328 0.012 0.000 1.088 249 H CA 0.894 56.940 56.048 -0.004 0.000 1.532 249 H CB 0.289 30.034 29.762 -0.028 0.000 1.488 249 H HN 0.227 nan 8.280 nan 0.000 0.607 250 K N 1.950 122.462 120.400 0.186 0.000 2.723 250 K HA 0.248 4.558 4.320 -0.017 0.000 0.229 250 K C -2.784 173.899 176.600 0.138 0.000 1.022 250 K CA -1.801 54.558 56.287 0.121 0.000 1.045 250 K CB 2.672 35.286 32.500 0.190 0.000 1.227 250 K HN 0.266 nan 8.250 nan 0.000 0.516 251 P HA -0.010 nan 4.420 nan 0.000 0.266 251 P C -0.310 177.085 177.300 0.157 0.000 1.215 251 P CA -0.142 63.056 63.100 0.162 0.000 0.763 251 P CB 0.872 32.598 31.700 0.044 0.000 0.806 252 V N 1.415 121.461 119.914 0.219 0.000 3.102 252 V HA 0.528 4.638 4.120 -0.017 0.000 0.312 252 V C -0.496 175.790 176.094 0.321 0.000 1.135 252 V CA -1.418 61.031 62.300 0.249 0.000 1.022 252 V CB 1.861 33.804 31.823 0.199 0.000 1.056 252 V HN 0.326 nan 8.190 nan 0.000 0.436 253 F N 2.104 122.185 119.950 0.218 0.000 2.466 253 F HA 0.615 5.132 4.527 -0.016 0.000 0.363 253 F C 0.350 176.202 175.800 0.086 0.000 1.109 253 F CA 0.430 58.526 58.000 0.160 0.000 1.161 253 F CB 0.137 39.232 39.000 0.160 0.000 1.117 253 F HN 0.714 nan 8.300 nan 0.000 0.539 254 T N 8.265 122.625 114.554 -0.323 0.000 2.797 254 T HA 0.579 4.919 4.350 -0.017 0.000 0.279 254 T C -1.111 173.323 174.700 -0.444 0.000 0.991 254 T CA -0.206 61.681 62.100 -0.356 0.000 0.979 254 T CB 0.707 69.461 68.868 -0.190 0.000 0.943 254 T HN 0.409 nan 8.240 nan 0.000 0.444 255 F N -0.133 119.490 119.950 -0.545 0.000 2.581 255 F HA 0.857 5.374 4.527 -0.017 0.000 0.311 255 F C -0.134 175.554 175.800 -0.187 0.000 1.113 255 F CA -1.332 56.433 58.000 -0.392 0.000 0.935 255 F CB 0.967 39.664 39.000 -0.505 0.000 1.232 255 F HN 0.681 nan 8.300 nan 0.000 0.445 256 G N 0.858 109.659 108.800 0.002 0.000 2.568 256 G HA2 0.473 4.423 3.960 -0.017 0.000 0.313 256 G HA3 0.473 4.423 3.960 -0.017 0.000 0.313 256 G C -1.787 173.185 174.900 0.120 0.000 1.227 256 G CA -0.853 44.241 45.100 -0.010 0.000 0.979 256 G HN 0.869 nan 8.290 nan 0.000 0.486 257 E N 0.667 120.933 120.200 0.110 0.000 2.046 257 E HA 0.093 4.433 4.350 -0.017 0.000 0.279 257 E C -1.258 175.438 176.600 0.160 0.000 0.989 257 E CA -0.730 55.819 56.400 0.248 0.000 0.798 257 E CB 0.737 30.588 29.700 0.250 0.000 1.086 257 E HN 0.471 nan 8.360 nan 0.000 0.399 258 W N 7.878 129.201 121.300 0.039 0.000 2.363 258 W HA 0.244 4.895 4.660 -0.014 0.000 0.314 258 W C -1.602 174.733 176.519 -0.306 0.000 0.994 258 W CA -1.261 55.992 57.345 -0.154 0.000 1.449 258 W CB 0.234 29.593 29.460 -0.168 0.000 1.248 258 W HN 0.448 nan 8.180 nan 0.000 0.409 259 F N 6.088 125.725 119.950 -0.522 0.000 2.506 259 F HA 0.292 4.811 4.527 -0.013 0.000 0.371 259 F C -0.479 174.987 175.800 -0.557 0.000 1.078 259 F CA 0.498 57.893 58.000 -1.009 0.000 1.195 259 F CB 0.454 39.065 39.000 -0.649 0.000 1.099 259 F HN 0.145 nan 8.300 nan 0.000 0.548 260 L N 4.718 125.524 121.223 -0.695 0.000 2.341 260 L HA 0.475 4.805 4.340 -0.017 0.000 0.267 260 L C 1.016 177.863 176.870 -0.038 0.000 1.009 260 L CA -0.456 54.330 54.840 -0.089 0.000 0.819 260 L CB 2.057 44.162 42.059 0.077 0.000 1.323 260 L HN 0.721 nan 8.230 nan 0.000 0.425 261 G N -0.278 108.595 108.800 0.123 0.000 2.576 261 G HA2 0.035 3.985 3.960 -0.017 0.000 0.210 261 G HA3 0.035 3.985 3.960 -0.017 0.000 0.210 261 G C 0.565 175.536 174.900 0.118 0.000 1.143 261 G CA 0.692 45.888 45.100 0.161 0.000 0.819 261 G HN 0.579 nan 8.290 nan 0.000 0.534 262 S N -0.861 114.897 115.700 0.098 0.000 2.721 262 S HA 0.705 5.165 4.470 -0.017 0.000 0.296 262 S C 0.995 175.642 174.600 0.079 0.000 1.093 262 S CA 0.286 58.532 58.200 0.076 0.000 0.959 262 S CB 1.556 64.791 63.200 0.059 0.000 1.301 262 S HN 0.536 nan 8.310 nan 0.000 0.550 263 A N -0.614 122.240 122.820 0.057 0.000 2.390 263 A HA 0.742 5.052 4.320 -0.017 0.000 0.232 263 A C 1.061 178.679 177.584 0.056 0.000 1.233 263 A CA 0.215 52.288 52.037 0.059 0.000 0.907 263 A CB -0.987 18.028 19.000 0.026 0.000 0.967 263 A HN 1.259 nan 8.150 nan 0.000 0.512 264 A N 0.141 122.988 122.820 0.045 0.000 2.466 264 A HA 0.465 4.775 4.320 -0.017 0.000 0.238 264 A C 0.813 178.413 177.584 0.027 0.000 1.074 264 A CA 0.191 52.247 52.037 0.031 0.000 0.774 264 A CB -0.101 18.915 19.000 0.028 0.000 1.015 264 A HN 0.355 nan 8.150 nan 0.000 0.498 265 S N 0.053 115.754 115.700 0.002 0.000 2.563 265 S HA 0.154 4.614 4.470 -0.017 0.000 0.284 265 S C -0.194 174.392 174.600 -0.022 0.000 1.331 265 S CA 0.073 58.254 58.200 -0.032 0.000 1.047 265 S CB 0.051 63.222 63.200 -0.049 0.000 0.859 265 S HN 0.704 nan 8.310 nan 0.000 0.514 266 D N 2.264 122.634 120.400 -0.051 0.000 2.476 266 D HA 0.397 5.027 4.640 -0.017 0.000 0.251 266 D C 0.782 177.036 176.300 -0.077 0.000 1.291 266 D CA -0.260 53.718 54.000 -0.037 0.000 0.939 266 D CB 1.367 42.155 40.800 -0.021 0.000 1.221 266 D HN 0.541 nan 8.370 nan 0.000 0.567 267 A N 4.278 127.077 122.820 -0.036 0.000 1.894 267 A HA -0.291 4.019 4.320 -0.017 0.000 0.220 267 A C 1.583 179.135 177.584 -0.053 0.000 1.237 267 A CA 1.972 53.991 52.037 -0.030 0.000 0.660 267 A CB -0.310 18.701 19.000 0.018 0.000 0.835 267 A HN 0.675 nan 8.150 nan 0.000 0.461 268 D N -0.695 119.684 120.400 -0.034 0.000 2.117 268 D HA -0.167 4.463 4.640 -0.017 0.000 0.197 268 D C 1.884 177.905 176.300 -0.465 0.000 0.987 268 D CA 1.355 55.315 54.000 -0.067 0.000 0.829 268 D CB -0.585 40.322 40.800 0.179 0.000 0.961 268 D HN 0.687 nan 8.370 nan 0.000 0.460 269 N N 0.673 118.928 118.700 -0.742 0.000 2.223 269 N HA -0.126 4.604 4.740 -0.017 0.000 0.185 269 N C 1.367 176.656 175.510 -0.368 0.000 1.016 269 N CA 1.267 53.641 53.050 -1.126 0.000 0.863 269 N CB 0.106 38.052 38.487 -0.903 0.000 0.983 269 N HN 0.033 nan 8.380 nan 0.000 0.429 270 T N 0.781 115.214 114.554 -0.202 0.000 2.896 270 T HA -0.034 4.306 4.350 -0.017 0.000 0.263 270 T C 1.091 175.788 174.700 -0.006 0.000 1.050 270 T CA 0.817 62.866 62.100 -0.084 0.000 1.140 270 T CB -0.188 68.557 68.868 -0.205 0.000 0.877 270 T HN 0.234 nan 8.240 nan 0.000 0.457 271 D N 0.492 120.876 120.400 -0.026 0.000 2.218 271 D HA -0.026 4.604 4.640 -0.017 0.000 0.204 271 D C 1.649 177.983 176.300 0.057 0.000 0.976 271 D CA 0.674 54.689 54.000 0.024 0.000 0.853 271 D CB -0.240 40.589 40.800 0.049 0.000 0.939 271 D HN 0.308 nan 8.370 nan 0.000 0.481 272 F N 1.675 121.571 119.950 -0.090 0.000 2.128 272 F HA -0.044 4.474 4.527 -0.016 0.000 0.295 272 F C 2.314 178.141 175.800 0.046 0.000 1.100 272 F CA 1.247 59.238 58.000 -0.015 0.000 1.260 272 F CB -0.191 38.751 39.000 -0.096 0.000 1.009 272 F HN -0.087 nan 8.300 nan 0.000 0.476 273 A N 0.222 123.224 122.820 0.304 0.000 1.972 273 A HA -0.199 4.111 4.320 -0.017 0.000 0.219 273 A C 1.934 179.610 177.584 0.154 0.000 1.169 273 A CA 2.002 54.199 52.037 0.267 0.000 0.635 273 A CB -0.748 18.466 19.000 0.356 0.000 0.810 273 A HN 0.494 nan 8.150 nan 0.000 0.446 274 N N -0.416 118.356 118.700 0.120 0.000 2.290 274 N HA -0.015 4.715 4.740 -0.017 0.000 0.179 274 N C 1.415 176.926 175.510 0.001 0.000 1.016 274 N CA 1.316 54.408 53.050 0.069 0.000 0.871 274 N CB -0.151 38.373 38.487 0.061 0.000 0.987 274 N HN 0.583 nan 8.380 nan 0.000 0.431 275 K N 0.081 120.451 120.400 -0.049 0.000 2.348 275 K HA 0.156 4.466 4.320 -0.017 0.000 0.194 275 K C 1.945 178.442 176.600 -0.171 0.000 1.052 275 K CA 0.318 56.554 56.287 -0.085 0.000 1.004 275 K CB 0.306 32.773 32.500 -0.055 0.000 0.873 275 K HN 0.083 nan 8.250 nan 0.000 0.523 276 S N 0.371 115.870 115.700 -0.335 0.000 2.383 276 S HA -0.051 4.409 4.470 -0.017 0.000 0.227 276 S C 1.627 176.082 174.600 -0.242 0.000 1.026 276 S CA 1.273 59.190 58.200 -0.473 0.000 0.981 276 S CB -0.221 62.306 63.200 -1.122 0.000 0.818 276 S HN 0.421 nan 8.310 nan 0.000 0.472 277 G N 0.949 109.674 108.800 -0.126 0.000 2.168 277 G HA2 -0.131 3.819 3.960 -0.017 0.000 0.197 277 G HA3 -0.131 3.819 3.960 -0.017 0.000 0.197 277 G C -0.142 174.802 174.900 0.074 0.000 0.997 277 G CA 0.061 45.158 45.100 -0.005 0.000 0.658 277 G HN 1.045 nan 8.290 nan 0.000 0.513 278 M N -0.629 118.988 119.600 0.028 0.000 2.664 278 M HA 0.839 5.309 4.480 -0.017 0.000 0.279 278 M C -0.082 176.289 176.300 0.119 0.000 1.275 278 M CA -0.434 54.914 55.300 0.079 0.000 0.829 278 M CB 1.892 34.535 32.600 0.071 0.000 1.727 278 M HN 0.589 nan 8.290 nan 0.000 0.459 279 S N 0.893 116.647 115.700 0.090 0.000 2.690 279 S HA 0.831 5.291 4.470 -0.017 0.000 0.291 279 S C -0.554 174.143 174.600 0.161 0.000 1.138 279 S CA -0.836 57.429 58.200 0.109 0.000 1.013 279 S CB 1.346 64.603 63.200 0.095 0.000 1.053 279 S HN 0.564 nan 8.310 nan 0.000 0.539 280 L N 0.460 121.764 121.223 0.135 0.000 2.397 280 L HA 0.565 4.895 4.340 -0.017 0.000 0.266 280 L C -0.038 176.952 176.870 0.200 0.000 1.040 280 L CA -1.070 53.894 54.840 0.206 0.000 0.800 280 L CB 0.309 42.498 42.059 0.217 0.000 1.324 280 L HN 0.733 nan 8.230 nan 0.000 0.469 281 L N 1.318 122.727 121.223 0.311 0.000 2.265 281 L HA 0.199 4.529 4.340 -0.017 0.000 0.288 281 L C -0.092 176.983 176.870 0.341 0.000 1.058 281 L CA -0.404 54.619 54.840 0.305 0.000 0.809 281 L CB 0.753 42.985 42.059 0.289 0.000 1.179 281 L HN 0.479 nan 8.230 nan 0.000 0.429 282 D N 3.538 124.063 120.400 0.209 0.000 2.489 282 D HA -0.035 4.596 4.640 -0.017 0.000 0.237 282 D C 0.821 177.145 176.300 0.041 0.000 1.212 282 D CA 0.295 54.360 54.000 0.107 0.000 1.058 282 D CB 0.226 40.987 40.800 -0.064 0.000 1.098 282 D HN 0.288 nan 8.370 nan 0.000 0.509 283 F N 1.616 121.658 119.950 0.153 0.000 2.407 283 F HA 0.011 4.528 4.527 -0.017 0.000 0.299 283 F C 2.359 178.169 175.800 0.016 0.000 1.097 283 F CA 0.443 58.470 58.000 0.045 0.000 1.422 283 F CB 0.171 39.179 39.000 0.014 0.000 1.067 283 F HN 0.224 nan 8.300 nan 0.000 0.539 284 R N -0.821 119.830 120.500 0.251 0.000 2.092 284 R HA -0.161 4.169 4.340 -0.017 0.000 0.231 284 R C 2.167 178.564 176.300 0.161 0.000 1.119 284 R CA 1.436 57.651 56.100 0.191 0.000 0.970 284 R CB -1.004 29.423 30.300 0.213 0.000 0.864 284 R HN 0.308 nan 8.270 nan 0.000 0.440 285 F N 2.760 122.705 119.950 -0.008 0.000 2.113 285 F HA -0.164 4.352 4.527 -0.017 0.000 0.297 285 F C 2.196 177.931 175.800 -0.109 0.000 1.103 285 F CA 1.465 59.447 58.000 -0.030 0.000 1.248 285 F CB -0.474 38.500 39.000 -0.042 0.000 0.999 285 F HN -0.002 nan 8.300 nan 0.000 0.475 286 N N -0.248 118.484 118.700 0.053 0.000 2.149 286 N HA -0.199 4.531 4.740 -0.017 0.000 0.188 286 N C 1.755 177.229 175.510 -0.060 0.000 1.019 286 N CA 1.655 54.610 53.050 -0.159 0.000 0.857 286 N CB -0.123 37.973 38.487 -0.652 0.000 0.997 286 N HN 0.345 nan 8.380 nan 0.000 0.426 287 S N 0.756 116.444 115.700 -0.019 0.000 2.368 287 S HA -0.018 4.442 4.470 -0.017 0.000 0.224 287 S C 2.194 176.768 174.600 -0.044 0.000 1.029 287 S CA 0.989 59.190 58.200 0.002 0.000 0.988 287 S CB -0.386 62.834 63.200 0.034 0.000 0.838 287 S HN 0.571 nan 8.310 nan 0.000 0.462 288 A N 1.814 124.580 122.820 -0.089 0.000 1.841 288 A HA -0.076 4.234 4.320 -0.017 0.000 0.216 288 A C 2.367 179.832 177.584 -0.199 0.000 1.199 288 A CA 1.816 53.757 52.037 -0.160 0.000 0.621 288 A CB -1.308 17.569 19.000 -0.205 0.000 0.835 288 A HN 0.299 nan 8.150 nan 0.000 0.445 289 V N 0.165 119.920 119.914 -0.264 0.000 2.313 289 V HA -0.362 3.748 4.120 -0.017 0.000 0.253 289 V C 2.698 178.887 176.094 0.159 0.000 1.070 289 V CA 2.581 64.819 62.300 -0.104 0.000 1.057 289 V CB -0.906 30.830 31.823 -0.146 0.000 0.653 289 V HN 0.529 nan 8.190 nan 0.000 0.450 290 R N -0.317 120.245 120.500 0.104 0.000 2.090 290 R HA -0.077 4.253 4.340 -0.017 0.000 0.228 290 R C 2.217 178.505 176.300 -0.020 0.000 1.110 290 R CA 1.290 57.444 56.100 0.091 0.000 0.973 290 R CB -0.340 29.984 30.300 0.039 0.000 0.869 290 R HN 0.542 nan 8.270 nan 0.000 0.440 291 N N 0.056 118.725 118.700 -0.053 0.000 2.188 291 N HA -0.100 4.630 4.740 -0.017 0.000 0.184 291 N C 1.736 177.168 175.510 -0.131 0.000 1.018 291 N CA 1.039 54.038 53.050 -0.085 0.000 0.858 291 N CB 0.016 38.450 38.487 -0.087 0.000 0.989 291 N HN 0.027 nan 8.380 nan 0.000 0.426 292 V N -0.188 119.602 119.914 -0.207 0.000 2.500 292 V HA -0.006 4.104 4.120 -0.017 0.000 0.243 292 V C 1.602 177.440 176.094 -0.427 0.000 1.039 292 V CA 1.119 63.182 62.300 -0.395 0.000 1.053 292 V CB -0.378 31.054 31.823 -0.652 0.000 0.695 292 V HN 0.047 nan 8.190 nan 0.000 0.463 293 F N -0.112 119.826 119.950 -0.021 0.000 2.317 293 F HA 0.192 4.708 4.527 -0.017 0.000 0.290 293 F C 2.427 178.277 175.800 0.084 0.000 1.075 293 F CA 1.254 59.309 58.000 0.092 0.000 1.380 293 F CB -0.297 38.836 39.000 0.221 0.000 1.093 293 F HN -0.094 nan 8.300 nan 0.000 0.524 294 R N 0.565 121.117 120.500 0.086 0.000 2.033 294 R HA -0.049 4.281 4.340 -0.017 0.000 0.219 294 R C 1.751 177.955 176.300 -0.161 0.000 1.223 294 R CA 1.401 57.326 56.100 -0.291 0.000 0.971 294 R CB -0.520 29.177 30.300 -1.005 0.000 0.855 294 R HN 0.044 nan 8.270 nan 0.000 0.452 295 D N 0.867 121.174 120.400 -0.155 0.000 2.178 295 D HA -0.139 4.491 4.640 -0.017 0.000 0.201 295 D C 0.054 176.315 176.300 -0.065 0.000 0.980 295 D CA 0.914 54.855 54.000 -0.097 0.000 0.842 295 D CB -0.148 40.602 40.800 -0.083 0.000 0.948 295 D HN 0.354 nan 8.370 nan 0.000 0.472 296 N N -0.339 118.320 118.700 -0.068 0.000 2.776 296 N HA -0.140 4.590 4.740 -0.017 0.000 0.249 296 N C 0.541 176.017 175.510 -0.058 0.000 1.111 296 N CA 1.152 54.164 53.050 -0.063 0.000 0.711 296 N CB -1.938 36.526 38.487 -0.039 0.000 1.065 296 N HN 0.388 nan 8.380 nan 0.000 0.556 297 T N -4.379 110.137 114.554 -0.062 0.000 3.122 297 T HA 0.443 4.783 4.350 -0.017 0.000 0.250 297 T C 0.505 175.172 174.700 -0.055 0.000 1.067 297 T CA 0.232 62.303 62.100 -0.049 0.000 0.966 297 T CB 0.656 69.501 68.868 -0.039 0.000 1.002 297 T HN 0.135 nan 8.240 nan 0.000 0.542 298 S N 0.825 116.478 115.700 -0.078 0.000 2.643 298 S HA 0.581 5.041 4.470 -0.017 0.000 0.270 298 S C -1.237 173.296 174.600 -0.112 0.000 1.166 298 S CA -1.116 57.034 58.200 -0.083 0.000 0.815 298 S CB 1.745 64.885 63.200 -0.100 0.000 1.139 298 S HN 0.755 nan 8.310 nan 0.000 0.472 299 N N -0.560 118.083 118.700 -0.094 0.000 3.002 299 N HA 0.482 5.212 4.740 -0.017 0.000 0.331 299 N C 0.750 176.144 175.510 -0.194 0.000 1.384 299 N CA -0.850 52.130 53.050 -0.117 0.000 0.780 299 N CB 0.062 38.542 38.487 -0.012 0.000 1.492 299 N HN 0.317 nan 8.380 nan 0.000 0.608 300 M N -0.845 118.599 119.600 -0.260 0.000 2.202 300 M HA -0.090 4.380 4.480 -0.017 0.000 0.262 300 M C 1.114 177.141 176.300 -0.455 0.000 1.063 300 M CA 1.594 56.645 55.300 -0.416 0.000 1.097 300 M CB -1.431 30.928 32.600 -0.402 0.000 1.382 300 M HN 0.567 nan 8.290 nan 0.000 0.413 301 Y N 0.251 120.425 120.300 -0.210 0.000 2.333 301 Y HA -0.102 4.438 4.550 -0.017 0.000 0.290 301 Y C 2.536 178.330 175.900 -0.177 0.000 1.144 301 Y CA 1.270 59.266 58.100 -0.174 0.000 1.228 301 Y CB -0.990 37.405 38.460 -0.108 0.000 0.985 301 Y HN 0.293 nan 8.280 nan 0.000 0.542 302 A N -0.572 122.211 122.820 -0.062 0.000 1.929 302 A HA -0.094 4.216 4.320 -0.017 0.000 0.216 302 A C 2.072 179.565 177.584 -0.152 0.000 1.176 302 A CA 1.110 53.093 52.037 -0.090 0.000 0.628 302 A CB -0.794 18.145 19.000 -0.101 0.000 0.816 302 A HN 0.351 nan 8.150 nan 0.000 0.444 303 L N 0.112 121.171 121.223 -0.273 0.000 2.017 303 L HA -0.160 4.170 4.340 -0.017 0.000 0.208 303 L C 2.112 178.863 176.870 -0.199 0.000 1.073 303 L CA 2.378 57.035 54.840 -0.305 0.000 0.745 303 L CB -0.687 41.080 42.059 -0.487 0.000 0.894 303 L HN 0.493 nan 8.230 nan 0.000 0.432 304 D N -1.724 118.489 120.400 -0.311 0.000 2.149 304 D HA -0.178 4.452 4.640 -0.017 0.000 0.198 304 D C 2.285 178.595 176.300 0.017 0.000 0.990 304 D CA 1.320 55.255 54.000 -0.108 0.000 0.839 304 D CB 0.149 40.874 40.800 -0.125 0.000 0.948 304 D HN 0.183 nan 8.370 nan 0.000 0.460 305 S N -0.842 114.855 115.700 -0.005 0.000 2.368 305 S HA -0.096 4.364 4.470 -0.017 0.000 0.224 305 S C 1.697 176.317 174.600 0.034 0.000 1.029 305 S CA 0.823 59.036 58.200 0.022 0.000 0.988 305 S CB -0.235 62.971 63.200 0.009 0.000 0.838 305 S HN 0.362 nan 8.310 nan 0.000 0.462 306 M N 0.943 120.557 119.600 0.023 0.000 2.229 306 M HA -0.024 4.446 4.480 -0.017 0.000 0.264 306 M C 1.553 177.920 176.300 0.112 0.000 1.063 306 M CA 1.387 56.721 55.300 0.057 0.000 1.114 306 M CB -0.706 31.908 32.600 0.023 0.000 1.387 306 M HN 0.207 nan 8.290 nan 0.000 0.420 307 I N 1.341 121.981 120.570 0.118 0.000 2.202 307 I HA -0.260 3.901 4.170 -0.017 0.000 0.242 307 I C 1.891 178.088 176.117 0.133 0.000 1.091 307 I CA 1.229 62.623 61.300 0.157 0.000 1.368 307 I CB -1.709 36.399 38.000 0.181 0.000 1.058 307 I HN 0.308 nan 8.210 nan 0.000 0.410 308 N N 0.023 118.789 118.700 0.110 0.000 2.216 308 N HA -0.122 4.608 4.740 -0.017 0.000 0.183 308 N C 2.066 177.618 175.510 0.070 0.000 1.017 308 N CA 1.266 54.371 53.050 0.090 0.000 0.861 308 N CB -0.284 38.252 38.487 0.080 0.000 0.986 308 N HN 0.200 nan 8.380 nan 0.000 0.428 309 S N 0.011 115.748 115.700 0.062 0.000 2.357 309 S HA -0.087 4.373 4.470 -0.017 0.000 0.221 309 S C 1.960 176.575 174.600 0.025 0.000 1.031 309 S CA 1.867 60.086 58.200 0.032 0.000 0.982 309 S CB -0.530 62.683 63.200 0.022 0.000 0.853 309 S HN 0.586 nan 8.310 nan 0.000 0.458 310 T N -0.060 114.550 114.554 0.094 0.000 2.915 310 T HA 0.151 4.491 4.350 -0.017 0.000 0.269 310 T C 1.851 176.680 174.700 0.216 0.000 1.071 310 T CA 1.134 63.340 62.100 0.177 0.000 1.132 310 T CB -0.640 68.442 68.868 0.356 0.000 0.878 310 T HN 0.390 nan 8.240 nan 0.000 0.479 311 A N 1.600 124.513 122.820 0.153 0.000 2.015 311 A HA 0.030 4.340 4.320 -0.017 0.000 0.219 311 A C 2.522 180.155 177.584 0.082 0.000 1.163 311 A CA 1.692 53.809 52.037 0.133 0.000 0.646 311 A CB -1.055 18.009 19.000 0.106 0.000 0.806 311 A HN 0.576 nan 8.150 nan 0.000 0.448 312 T N -0.201 114.376 114.554 0.038 0.000 2.937 312 T HA -0.041 4.299 4.350 -0.017 0.000 0.260 312 T C 1.198 175.870 174.700 -0.046 0.000 1.051 312 T CA 1.131 63.232 62.100 0.001 0.000 1.141 312 T CB -0.194 68.671 68.868 -0.007 0.000 0.879 312 T HN 0.428 nan 8.240 nan 0.000 0.459 313 D N 0.102 120.422 120.400 -0.135 0.000 2.289 313 D HA 0.039 4.669 4.640 -0.017 0.000 0.207 313 D C -0.276 175.841 176.300 -0.305 0.000 0.966 313 D CA 0.690 54.520 54.000 -0.283 0.000 0.868 313 D CB 0.050 40.572 40.800 -0.464 0.000 0.943 313 D HN 0.391 nan 8.370 nan 0.000 0.514 314 Y N 1.200 121.518 120.300 0.030 0.000 2.330 314 Y HA 0.220 4.760 4.550 -0.017 0.000 0.336 314 Y C 1.360 177.277 175.900 0.028 0.000 1.036 314 Y CA -1.021 57.100 58.100 0.036 0.000 1.125 314 Y CB 0.850 39.344 38.460 0.056 0.000 1.194 314 Y HN -0.305 nan 8.280 nan 0.000 0.469 315 N N 1.551 120.361 118.700 0.184 0.000 2.149 315 N HA -0.157 4.573 4.740 -0.017 0.000 0.188 315 N C -0.218 175.337 175.510 0.075 0.000 1.019 315 N CA 1.298 54.404 53.050 0.093 0.000 0.857 315 N CB 0.008 38.540 38.487 0.075 0.000 0.997 315 N HN 0.637 nan 8.380 nan 0.000 0.426 316 Q N -0.599 119.281 119.800 0.133 0.000 2.616 316 Q HA 0.251 4.581 4.340 -0.017 0.000 0.250 316 Q C 0.301 176.386 176.000 0.142 0.000 0.991 316 Q CA -0.135 55.746 55.803 0.130 0.000 0.707 316 Q CB 2.105 30.956 28.738 0.189 0.000 1.247 316 Q HN -0.120 nan 8.270 nan 0.000 0.491 317 V N 2.942 122.942 119.914 0.144 0.000 2.759 317 V HA -0.224 3.886 4.120 -0.017 0.000 0.256 317 V C 0.815 176.938 176.094 0.048 0.000 1.080 317 V CA 2.026 64.394 62.300 0.112 0.000 1.101 317 V CB -0.007 31.913 31.823 0.162 0.000 0.698 317 V HN 0.784 nan 8.190 nan 0.000 0.477 318 N N 0.170 118.929 118.700 0.099 0.000 2.520 318 N HA -0.102 4.628 4.740 -0.017 0.000 0.185 318 N C 0.779 176.331 175.510 0.070 0.000 1.068 318 N CA 1.185 54.283 53.050 0.079 0.000 0.911 318 N CB -0.009 38.577 38.487 0.166 0.000 0.961 318 N HN 0.495 nan 8.380 nan 0.000 0.446 319 D N -0.193 120.294 120.400 0.145 0.000 2.349 319 D HA 0.028 4.658 4.640 -0.017 0.000 0.214 319 D C -0.069 176.320 176.300 0.148 0.000 1.063 319 D CA 0.352 54.502 54.000 0.250 0.000 0.847 319 D CB 0.192 41.222 40.800 0.384 0.000 0.933 319 D HN 0.116 nan 8.370 nan 0.000 0.513 320 Q N 0.509 120.293 119.800 -0.027 0.000 2.288 320 Q HA 0.263 4.593 4.340 -0.017 0.000 0.254 320 Q C -0.150 175.767 176.000 -0.139 0.000 0.932 320 Q CA -0.352 55.381 55.803 -0.117 0.000 0.902 320 Q CB 1.848 30.439 28.738 -0.247 0.000 1.203 320 Q HN -0.080 nan 8.270 nan 0.000 0.415 321 V N 3.215 123.047 119.914 -0.137 0.000 2.348 321 V HA 0.224 4.334 4.120 -0.017 0.000 0.270 321 V C 0.644 176.719 176.094 -0.032 0.000 1.037 321 V CA -0.494 61.695 62.300 -0.184 0.000 0.872 321 V CB 0.688 32.260 31.823 -0.419 0.000 1.002 321 V HN 0.883 nan 8.190 nan 0.000 0.464 322 T N 2.686 117.127 114.554 -0.188 0.000 2.918 322 T HA 0.844 5.184 4.350 -0.017 0.000 0.283 322 T C -0.666 174.077 174.700 0.071 0.000 1.001 322 T CA -0.473 61.409 62.100 -0.363 0.000 1.041 322 T CB 1.462 69.654 68.868 -1.127 0.000 1.028 322 T HN 0.757 nan 8.240 nan 0.000 0.511 323 F N -0.699 119.190 119.950 -0.103 0.000 2.725 323 F HA 0.421 4.938 4.527 -0.017 0.000 0.311 323 F C 0.272 176.157 175.800 0.143 0.000 1.121 323 F CA -1.535 56.483 58.000 0.030 0.000 0.978 323 F CB 0.280 39.286 39.000 0.009 0.000 1.274 323 F HN 0.580 nan 8.300 nan 0.000 0.440 324 I N -1.096 119.599 120.570 0.208 0.000 3.030 324 I HA 0.284 4.444 4.170 -0.017 0.000 0.270 324 I C -0.426 175.885 176.117 0.323 0.000 1.211 324 I CA 0.625 62.037 61.300 0.187 0.000 1.479 324 I CB -0.157 37.837 38.000 -0.011 0.000 1.105 324 I HN 0.669 nan 8.210 nan 0.000 0.447 325 D N 0.474 121.099 120.400 0.375 0.000 2.692 325 D HA 0.404 5.034 4.640 -0.017 0.000 0.290 325 D C -1.006 175.410 176.300 0.193 0.000 1.281 325 D CA -0.768 53.431 54.000 0.332 0.000 0.804 325 D CB 0.825 41.812 40.800 0.311 0.000 1.331 325 D HN 0.301 nan 8.370 nan 0.000 0.432 326 N N -2.522 116.126 118.700 -0.087 0.000 3.378 326 N HA 0.127 4.857 4.740 -0.017 0.000 0.294 326 N C 0.438 175.526 175.510 -0.704 0.000 1.544 326 N CA -0.560 52.139 53.050 -0.585 0.000 0.872 326 N CB -0.125 38.154 38.487 -0.346 0.000 1.670 326 N HN 0.605 nan 8.380 nan 0.000 0.551 327 H N -1.862 116.762 119.070 -0.743 0.000 2.563 327 H HA 0.177 4.723 4.556 -0.017 0.000 0.272 327 H C -0.815 174.530 175.328 0.028 0.000 1.005 327 H CA 0.712 56.634 56.048 -0.210 0.000 1.171 327 H CB -0.294 29.590 29.762 0.204 0.000 1.351 327 H HN 0.473 nan 8.280 nan 0.000 0.602 328 D N 0.878 121.107 120.400 -0.285 0.000 2.501 328 D HA 0.200 4.830 4.640 -0.017 0.000 0.226 328 D C 0.682 177.047 176.300 0.108 0.000 1.198 328 D CA 0.000 53.960 54.000 -0.066 0.000 0.830 328 D CB 0.452 41.242 40.800 -0.018 0.000 1.014 328 D HN 0.587 nan 8.370 nan 0.000 0.496 329 M N -2.354 117.296 119.600 0.083 0.000 2.682 329 M HA 0.427 4.897 4.480 -0.017 0.000 0.272 329 M C -1.576 174.786 176.300 0.104 0.000 1.232 329 M CA -0.978 54.403 55.300 0.134 0.000 0.849 329 M CB 1.793 34.518 32.600 0.208 0.000 1.695 329 M HN -0.448 nan 8.290 nan 0.000 0.481 330 D N 2.591 123.051 120.400 0.100 0.000 2.488 330 D HA 0.134 4.764 4.640 -0.017 0.000 0.238 330 D C -0.170 176.198 176.300 0.113 0.000 1.138 330 D CA 0.338 54.389 54.000 0.085 0.000 0.873 330 D CB 0.676 41.509 40.800 0.055 0.000 1.183 330 D HN 0.342 nan 8.370 nan 0.000 0.458 331 R N 2.065 122.641 120.500 0.127 0.000 2.570 331 R HA -0.046 4.284 4.340 -0.017 0.000 0.277 331 R C 1.200 177.615 176.300 0.191 0.000 1.039 331 R CA -0.089 56.120 56.100 0.181 0.000 1.065 331 R CB 0.020 30.410 30.300 0.150 0.000 0.964 331 R HN 0.518 nan 8.270 nan 0.000 0.428 332 F N 2.132 122.145 119.950 0.105 0.000 2.154 332 F HA -0.236 4.281 4.527 -0.016 0.000 0.301 332 F C 1.108 176.966 175.800 0.096 0.000 1.087 332 F CA 1.689 59.747 58.000 0.098 0.000 1.274 332 F CB 0.045 39.104 39.000 0.098 0.000 1.009 332 F HN 0.250 nan 8.300 nan 0.000 0.485 333 K N 1.060 121.669 120.400 0.349 0.000 2.276 333 K HA 0.324 4.634 4.320 -0.017 0.000 0.283 333 K C -0.935 175.748 176.600 0.139 0.000 1.044 333 K CA 0.133 56.581 56.287 0.269 0.000 0.944 333 K CB 0.716 33.384 32.500 0.280 0.000 1.012 333 K HN 0.095 nan 8.250 nan 0.000 0.472 334 T N 1.342 115.955 114.554 0.099 0.000 2.792 334 T HA 0.140 4.480 4.350 -0.017 0.000 0.303 334 T C 0.848 175.577 174.700 0.048 0.000 1.310 334 T CA -0.240 61.892 62.100 0.053 0.000 1.007 334 T CB 1.244 70.120 68.868 0.012 0.000 1.335 334 T HN 0.522 nan 8.240 nan 0.000 0.504 335 S N 1.059 116.778 115.700 0.032 0.000 2.368 335 S HA -0.217 4.243 4.470 -0.017 0.000 0.226 335 S C 2.263 176.878 174.600 0.023 0.000 1.044 335 S CA 1.421 59.636 58.200 0.025 0.000 1.062 335 S CB -0.928 62.282 63.200 0.017 0.000 0.931 335 S HN 0.876 nan 8.310 nan 0.000 0.440 336 A N 1.584 124.414 122.820 0.017 0.000 1.929 336 A HA 0.292 4.602 4.320 -0.017 0.000 0.216 336 A C 1.254 178.854 177.584 0.027 0.000 1.176 336 A CA 0.819 52.865 52.037 0.015 0.000 0.628 336 A CB -0.810 18.192 19.000 0.003 0.000 0.816 336 A HN 0.446 nan 8.150 nan 0.000 0.444 337 V N 2.817 122.749 119.914 0.031 0.000 2.409 337 V HA -0.011 4.099 4.120 -0.017 0.000 0.270 337 V C -0.359 175.801 176.094 0.110 0.000 1.019 337 V CA -0.416 61.922 62.300 0.064 0.000 1.066 337 V CB -1.113 30.734 31.823 0.039 0.000 1.021 337 V HN 0.528 nan 8.190 nan 0.000 0.476 338 N N 4.529 123.294 118.700 0.108 0.000 2.395 338 N HA -0.000 4.730 4.740 -0.017 0.000 0.246 338 N C 1.043 176.638 175.510 0.142 0.000 1.246 338 N CA -0.141 52.969 53.050 0.100 0.000 0.879 338 N CB 0.122 38.666 38.487 0.094 0.000 1.098 338 N HN 0.479 nan 8.380 nan 0.000 0.444 339 N N 0.990 119.742 118.700 0.087 0.000 2.149 339 N HA -0.175 4.555 4.740 -0.017 0.000 0.188 339 N C 1.531 177.150 175.510 0.182 0.000 1.019 339 N CA 0.898 54.012 53.050 0.106 0.000 0.857 339 N CB -0.062 38.353 38.487 -0.119 0.000 0.997 339 N HN 0.446 nan 8.380 nan 0.000 0.426 340 R N 1.039 121.616 120.500 0.127 0.000 2.120 340 R HA 0.092 4.422 4.340 -0.017 0.000 0.234 340 R C 1.631 178.017 176.300 0.142 0.000 1.123 340 R CA 1.150 57.325 56.100 0.126 0.000 0.975 340 R CB -0.142 30.219 30.300 0.102 0.000 0.866 340 R HN 0.075 nan 8.270 nan 0.000 0.446 341 R N 0.275 120.894 120.500 0.197 0.000 2.115 341 R HA -0.076 4.254 4.340 -0.017 0.000 0.230 341 R C 2.206 178.630 176.300 0.208 0.000 1.111 341 R CA 1.257 57.519 56.100 0.270 0.000 0.976 341 R CB -0.894 29.620 30.300 0.356 0.000 0.870 341 R HN 0.365 nan 8.270 nan 0.000 0.445 342 L N 1.188 122.541 121.223 0.216 0.000 2.072 342 L HA -0.111 4.219 4.340 -0.017 0.000 0.205 342 L C 1.822 178.586 176.870 -0.177 0.000 1.079 342 L CA 1.517 56.332 54.840 -0.042 0.000 0.752 342 L CB -0.120 42.034 42.059 0.157 0.000 0.906 342 L HN 0.102 nan 8.230 nan 0.000 0.436 343 E N -0.564 119.630 120.200 -0.011 0.000 2.153 343 E HA -0.260 4.080 4.350 -0.017 0.000 0.194 343 E C 2.181 178.716 176.600 -0.108 0.000 0.988 343 E CA 1.413 57.797 56.400 -0.027 0.000 0.811 343 E CB -0.049 29.695 29.700 0.073 0.000 0.746 343 E HN 0.654 nan 8.360 nan 0.000 0.466 344 Q N 0.106 119.811 119.800 -0.158 0.000 2.049 344 Q HA -0.044 4.286 4.340 -0.017 0.000 0.198 344 Q C 2.323 177.988 176.000 -0.558 0.000 0.971 344 Q CA 1.054 56.690 55.803 -0.280 0.000 0.833 344 Q CB -0.116 28.474 28.738 -0.247 0.000 0.896 344 Q HN 0.236 nan 8.270 nan 0.000 0.434 345 A N 0.901 123.262 122.820 -0.766 0.000 1.978 345 A HA -0.167 4.143 4.320 -0.017 0.000 0.220 345 A C 2.031 179.433 177.584 -0.302 0.000 1.170 345 A CA 1.088 52.691 52.037 -0.722 0.000 0.636 345 A CB -0.581 17.998 19.000 -0.701 0.000 0.810 345 A HN 0.282 nan 8.150 nan 0.000 0.448 346 L N -1.201 119.859 121.223 -0.272 0.000 2.072 346 L HA -0.125 4.205 4.340 -0.017 0.000 0.205 346 L C 3.098 179.933 176.870 -0.058 0.000 1.079 346 L CA 0.937 55.694 54.840 -0.139 0.000 0.752 346 L CB -0.429 41.544 42.059 -0.144 0.000 0.906 346 L HN 0.437 nan 8.230 nan 0.000 0.436 347 A N -0.195 122.588 122.820 -0.062 0.000 1.858 347 A HA -0.287 4.023 4.320 -0.017 0.000 0.216 347 A C 2.166 179.782 177.584 0.053 0.000 1.190 347 A CA 1.588 53.613 52.037 -0.021 0.000 0.617 347 A CB -0.999 17.983 19.000 -0.030 0.000 0.827 347 A HN 0.394 nan 8.150 nan 0.000 0.443 348 F N 1.453 121.382 119.950 -0.035 0.000 2.120 348 F HA -0.226 4.291 4.527 -0.017 0.000 0.300 348 F C 2.468 178.353 175.800 0.141 0.000 1.095 348 F CA 2.462 60.521 58.000 0.098 0.000 1.249 348 F CB -0.559 38.452 39.000 0.018 0.000 0.995 348 F HN 0.223 nan 8.300 nan 0.000 0.480 349 T N 1.093 115.813 114.554 0.278 0.000 2.777 349 T HA -0.126 4.214 4.350 -0.017 0.000 0.266 349 T C 2.070 176.792 174.700 0.036 0.000 1.040 349 T CA 1.595 63.862 62.100 0.279 0.000 1.141 349 T CB -0.450 68.573 68.868 0.258 0.000 0.868 349 T HN 0.236 nan 8.240 nan 0.000 0.444 350 L N 1.302 122.524 121.223 -0.003 0.000 2.201 350 L HA -0.032 4.298 4.340 -0.017 0.000 0.212 350 L C 2.704 179.528 176.870 -0.077 0.000 1.105 350 L CA 1.297 56.107 54.840 -0.051 0.000 0.775 350 L CB -0.634 41.394 42.059 -0.052 0.000 0.913 350 L HN 0.420 nan 8.230 nan 0.000 0.440 351 T N -5.456 109.056 114.554 -0.071 0.000 3.069 351 T HA 0.171 4.511 4.350 -0.017 0.000 0.252 351 T C 0.884 175.543 174.700 -0.068 0.000 1.053 351 T CA -0.268 61.798 62.100 -0.057 0.000 0.964 351 T CB 0.195 69.051 68.868 -0.020 0.000 1.005 351 T HN 0.016 nan 8.240 nan 0.000 0.532 352 S N 2.309 117.902 115.700 -0.178 0.000 2.681 352 S HA 0.532 4.992 4.470 -0.017 0.000 0.270 352 S C 0.449 174.961 174.600 -0.147 0.000 1.209 352 S CA -1.013 57.044 58.200 -0.238 0.000 0.988 352 S CB 0.629 63.643 63.200 -0.310 0.000 1.006 352 S HN 0.633 nan 8.310 nan 0.000 0.558 353 R N 0.643 121.078 120.500 -0.108 0.000 2.594 353 R HA 0.575 4.905 4.340 -0.017 0.000 0.272 353 R C 0.340 176.555 176.300 -0.142 0.000 1.074 353 R CA 0.328 56.374 56.100 -0.090 0.000 1.105 353 R CB -1.081 29.207 30.300 -0.019 0.000 1.008 353 R HN 0.964 nan 8.270 nan 0.000 0.472 354 G N 0.392 109.103 108.800 -0.148 0.000 2.663 354 G HA2 -0.164 3.786 3.960 -0.017 0.000 0.686 354 G HA3 -0.164 3.786 3.960 -0.017 0.000 0.686 354 G C -1.113 173.656 174.900 -0.218 0.000 1.288 354 G CA -0.447 44.549 45.100 -0.175 0.000 0.836 354 G HN 0.589 nan 8.290 nan 0.000 0.584 355 V N 2.898 122.683 119.914 -0.215 0.000 2.415 355 V HA 0.416 4.526 4.120 -0.017 0.000 0.267 355 V C -1.077 174.902 176.094 -0.191 0.000 1.042 355 V CA -0.425 61.744 62.300 -0.218 0.000 1.000 355 V CB 0.909 32.585 31.823 -0.246 0.000 1.015 355 V HN 0.729 nan 8.190 nan 0.000 0.478 356 P HA 0.497 nan 4.420 nan 0.000 0.278 356 P C -0.748 176.550 177.300 -0.003 0.000 1.238 356 P CA -0.254 62.789 63.100 -0.095 0.000 0.794 356 P CB 1.771 33.419 31.700 -0.086 0.000 0.955 357 A N 3.459 126.326 122.820 0.078 0.000 2.449 357 A HA 0.737 5.047 4.320 -0.017 0.000 0.302 357 A C -0.831 176.855 177.584 0.171 0.000 1.048 357 A CA -0.795 51.341 52.037 0.166 0.000 0.708 357 A CB 1.091 20.250 19.000 0.265 0.000 1.274 357 A HN 0.464 nan 8.150 nan 0.000 0.410 358 I N 2.365 123.018 120.570 0.138 0.000 2.439 358 I HA 0.202 4.362 4.170 -0.017 0.000 0.283 358 I C -1.030 175.083 176.117 -0.007 0.000 1.023 358 I CA -0.637 60.721 61.300 0.097 0.000 1.100 358 I CB 1.442 39.511 38.000 0.116 0.000 1.238 358 I HN 0.741 nan 8.210 nan 0.000 0.445 359 Y N 8.354 128.592 120.300 -0.104 0.000 2.511 359 Y HA 0.030 4.569 4.550 -0.017 0.000 0.332 359 Y C 0.091 175.836 175.900 -0.259 0.000 1.177 359 Y CA -0.651 57.355 58.100 -0.156 0.000 1.422 359 Y CB 0.208 38.637 38.460 -0.051 0.000 1.271 359 Y HN 0.451 nan 8.280 nan 0.000 0.550 360 Y N 3.107 122.993 120.300 -0.690 0.000 2.702 360 Y HA 0.351 4.890 4.550 -0.018 0.000 0.336 360 Y C 1.126 176.897 175.900 -0.215 0.000 1.235 360 Y CA -0.814 56.961 58.100 -0.541 0.000 1.492 360 Y CB -0.019 38.242 38.460 -0.332 0.000 1.308 360 Y HN 0.894 nan 8.280 nan 0.000 0.589 361 G N 1.862 110.669 108.800 0.011 0.000 2.199 361 G HA2 -0.358 3.592 3.960 -0.017 0.000 0.254 361 G HA3 -0.358 3.592 3.960 -0.017 0.000 0.254 361 G C 0.868 175.725 174.900 -0.071 0.000 0.982 361 G CA 0.501 45.562 45.100 -0.065 0.000 0.632 361 G HN 0.864 nan 8.290 nan 0.000 0.529 362 T N 1.398 115.912 114.554 -0.067 0.000 2.867 362 T HA -0.038 4.302 4.350 -0.017 0.000 0.268 362 T C 2.111 176.719 174.700 -0.153 0.000 1.057 362 T CA 1.744 63.798 62.100 -0.076 0.000 1.136 362 T CB -0.183 68.664 68.868 -0.034 0.000 0.874 362 T HN 0.756 nan 8.240 nan 0.000 0.466 363 E N 1.016 121.202 120.200 -0.023 0.000 2.516 363 E HA -0.099 4.241 4.350 -0.017 0.000 0.199 363 E C 0.932 177.506 176.600 -0.044 0.000 1.069 363 E CA 0.703 57.077 56.400 -0.042 0.000 0.876 363 E CB -0.016 29.750 29.700 0.109 0.000 0.843 363 E HN 0.431 nan 8.360 nan 0.000 0.530 364 Q N -0.011 119.767 119.800 -0.038 0.000 2.135 364 Q HA 0.079 4.409 4.340 -0.017 0.000 0.231 364 Q C -0.732 175.354 176.000 0.143 0.000 0.817 364 Q CA -0.612 55.245 55.803 0.090 0.000 1.073 364 Q CB -0.080 28.735 28.738 0.127 0.000 1.176 364 Q HN 0.285 nan 8.270 nan 0.000 0.478 365 Y N -0.050 120.299 120.300 0.081 0.000 3.054 365 Y HA -0.282 4.258 4.550 -0.017 0.000 0.210 365 Y C 0.280 176.208 175.900 0.046 0.000 1.212 365 Y CA 0.075 58.217 58.100 0.069 0.000 1.118 365 Y CB -2.022 36.479 38.460 0.069 0.000 1.292 365 Y HN 0.295 nan 8.280 nan 0.000 0.533 366 L N 1.103 122.379 121.223 0.088 0.000 2.397 366 L HA 0.366 4.696 4.340 -0.017 0.000 0.271 366 L C 0.931 177.833 176.870 0.053 0.000 1.148 366 L CA 0.326 55.186 54.840 0.033 0.000 0.825 366 L CB 0.978 42.991 42.059 -0.077 0.000 1.117 366 L HN 0.495 nan 8.230 nan 0.000 0.456 367 T N 0.227 114.809 114.554 0.047 0.000 2.927 367 T HA 0.904 5.244 4.350 -0.017 0.000 0.286 367 T C -0.266 174.456 174.700 0.036 0.000 1.040 367 T CA -0.344 61.791 62.100 0.059 0.000 1.010 367 T CB 2.060 70.967 68.868 0.066 0.000 1.177 367 T HN 0.939 nan 8.240 nan 0.000 0.546 368 G N 0.623 109.451 108.800 0.047 0.000 2.088 368 G HA2 0.244 4.194 3.960 -0.017 0.000 0.222 368 G HA3 0.244 4.194 3.960 -0.017 0.000 0.222 368 G C -1.706 173.225 174.900 0.052 0.000 1.690 368 G CA -1.151 43.972 45.100 0.038 0.000 0.923 368 G HN 0.923 nan 8.290 nan 0.000 0.730 369 N N 0.768 119.493 118.700 0.041 0.000 2.400 369 N HA 0.710 5.440 4.740 -0.017 0.000 0.288 369 N C 0.488 176.023 175.510 0.041 0.000 1.024 369 N CA 0.315 53.391 53.050 0.044 0.000 0.894 369 N CB 1.999 40.505 38.487 0.033 0.000 1.173 369 N HN 1.647 nan 8.380 nan 0.000 0.487 370 G N 1.490 110.319 108.800 0.048 0.000 2.758 370 G HA2 -0.214 3.736 3.960 -0.017 0.000 0.686 370 G HA3 -0.214 3.736 3.960 -0.017 0.000 0.686 370 G C -1.095 173.833 174.900 0.046 0.000 1.389 370 G CA -0.824 44.300 45.100 0.040 0.000 0.845 370 G HN 0.679 nan 8.290 nan 0.000 0.572 371 D N 0.857 121.281 120.400 0.041 0.000 2.277 371 D HA 0.543 5.173 4.640 -0.017 0.000 0.249 371 D C -0.174 176.159 176.300 0.056 0.000 1.134 371 D CA -1.624 52.412 54.000 0.059 0.000 0.863 371 D CB 1.273 42.098 40.800 0.043 0.000 1.143 371 D HN 0.220 nan 8.370 nan 0.000 0.458 372 P HA 0.167 nan 4.420 nan 0.000 0.267 372 P C -0.107 177.213 177.300 0.033 0.000 1.289 372 P CA 0.019 63.169 63.100 0.084 0.000 0.866 372 P CB 0.508 32.270 31.700 0.103 0.000 1.309 373 D N 1.362 121.778 120.400 0.026 0.000 2.309 373 D HA -0.156 4.474 4.640 -0.017 0.000 0.212 373 D C 1.583 177.897 176.300 0.024 0.000 0.968 373 D CA 1.062 55.070 54.000 0.013 0.000 0.882 373 D CB -0.316 40.494 40.800 0.016 0.000 0.918 373 D HN 0.314 nan 8.370 nan 0.000 0.503 374 N N 0.371 119.104 118.700 0.054 0.000 2.416 374 N HA -0.084 4.646 4.740 -0.017 0.000 0.177 374 N C 0.507 176.072 175.510 0.093 0.000 1.036 374 N CA 0.418 53.527 53.050 0.099 0.000 0.901 374 N CB -0.075 38.500 38.487 0.147 0.000 0.976 374 N HN -0.008 nan 8.380 nan 0.000 0.444 375 R N 0.542 121.056 120.500 0.024 0.000 3.782 375 R HA 0.471 4.801 4.340 -0.017 0.000 0.291 375 R C -0.093 176.184 176.300 -0.039 0.000 1.539 375 R CA -0.216 55.840 56.100 -0.072 0.000 1.345 375 R CB 0.257 30.380 30.300 -0.294 0.000 1.408 375 R HN 0.249 nan 8.270 nan 0.000 0.654 376 A N 0.958 123.764 122.820 -0.022 0.000 2.280 376 A HA 0.204 4.514 4.320 -0.017 0.000 0.268 376 A C 0.054 177.678 177.584 0.066 0.000 1.111 376 A CA -0.459 51.568 52.037 -0.018 0.000 0.814 376 A CB 0.351 19.328 19.000 -0.037 0.000 1.093 376 A HN 0.394 nan 8.150 nan 0.000 0.498 377 K N 0.540 120.958 120.400 0.030 0.000 2.258 377 K HA 0.201 4.511 4.320 -0.017 0.000 0.264 377 K C -0.237 176.399 176.600 0.060 0.000 1.007 377 K CA -0.492 55.834 56.287 0.066 0.000 0.941 377 K CB 0.289 32.782 32.500 -0.012 0.000 0.966 377 K HN 0.577 nan 8.250 nan 0.000 0.480 378 M N 5.661 125.315 119.600 0.089 0.000 2.427 378 M HA 0.026 4.496 4.480 -0.017 0.000 0.345 378 M C -1.532 174.609 176.300 -0.266 0.000 1.653 378 M CA -1.934 53.339 55.300 -0.045 0.000 1.138 378 M CB 0.612 33.104 32.600 -0.179 0.000 1.995 378 M HN 0.596 nan 8.290 nan 0.000 0.459 379 P HA -0.037 nan 4.420 nan 0.000 0.222 379 P C -0.133 176.983 177.300 -0.306 0.000 1.153 379 P CA 0.739 63.716 63.100 -0.205 0.000 0.798 379 P CB 0.408 32.045 31.700 -0.106 0.000 0.796 380 S N -2.180 113.249 115.700 -0.452 0.000 2.615 380 S HA 0.457 4.917 4.470 -0.017 0.000 0.268 380 S C -1.021 173.179 174.600 -0.668 0.000 1.146 380 S CA -0.729 57.172 58.200 -0.498 0.000 0.818 380 S CB 0.052 63.142 63.200 -0.183 0.000 1.111 380 S HN -0.172 nan 8.310 nan 0.000 0.465 381 F N 1.584 121.479 119.950 -0.092 0.000 2.850 381 F HA 0.502 5.019 4.527 -0.017 0.000 0.329 381 F C 1.151 177.047 175.800 0.160 0.000 1.182 381 F CA -0.627 57.309 58.000 -0.106 0.000 1.270 381 F CB 0.630 39.436 39.000 -0.323 0.000 0.979 381 F HN 0.651 nan 8.300 nan 0.000 0.506 382 S N 1.114 116.946 115.700 0.220 0.000 2.533 382 S HA 0.146 4.606 4.470 -0.017 0.000 0.282 382 S C 0.811 175.453 174.600 0.069 0.000 1.304 382 S CA -0.242 58.030 58.200 0.119 0.000 1.063 382 S CB 0.430 63.666 63.200 0.059 0.000 0.881 382 S HN 0.429 nan 8.310 nan 0.000 0.493 383 K N 3.646 123.898 120.400 -0.246 0.000 2.811 383 K HA 0.228 4.538 4.320 -0.017 0.000 0.217 383 K C 0.451 176.582 176.600 -0.782 0.000 1.115 383 K CA -0.168 55.470 56.287 -1.082 0.000 1.179 383 K CB 0.297 32.186 32.500 -1.017 0.000 0.994 383 K HN 0.413 nan 8.250 nan 0.000 0.464 384 S N 0.246 115.764 115.700 -0.304 0.000 2.549 384 S HA -0.008 4.452 4.470 -0.017 0.000 0.225 384 S C 0.774 175.386 174.600 0.021 0.000 1.039 384 S CA -0.158 57.966 58.200 -0.126 0.000 0.942 384 S CB 0.497 63.657 63.200 -0.065 0.000 0.881 384 S HN 0.571 nan 8.310 nan 0.000 0.503 385 T N -0.073 114.561 114.554 0.134 0.000 2.795 385 T HA 0.109 4.449 4.350 -0.017 0.000 0.314 385 T C 1.282 176.140 174.700 0.263 0.000 1.069 385 T CA 0.169 62.429 62.100 0.267 0.000 1.071 385 T CB 0.426 69.552 68.868 0.430 0.000 0.988 385 T HN -0.014 nan 8.240 nan 0.000 0.543 386 T N 1.174 115.904 114.554 0.292 0.000 2.857 386 T HA 0.060 4.400 4.350 -0.017 0.000 0.266 386 T C 2.403 177.233 174.700 0.216 0.000 1.048 386 T CA 1.049 63.283 62.100 0.223 0.000 1.139 386 T CB -0.771 68.218 68.868 0.202 0.000 0.874 386 T HN 0.789 nan 8.240 nan 0.000 0.455 387 A N 0.895 123.859 122.820 0.239 0.000 1.933 387 A HA -0.051 4.259 4.320 -0.017 0.000 0.218 387 A C 1.956 179.569 177.584 0.047 0.000 1.175 387 A CA 1.236 53.293 52.037 0.034 0.000 0.628 387 A CB -0.922 17.894 19.000 -0.307 0.000 0.814 387 A HN 0.483 nan 8.150 nan 0.000 0.444 388 F N 1.409 121.360 119.950 0.003 0.000 2.134 388 F HA -0.177 4.340 4.527 -0.017 0.000 0.299 388 F C 2.142 177.936 175.800 -0.010 0.000 1.097 388 F CA 1.862 59.862 58.000 -0.000 0.000 1.264 388 F CB -0.234 38.777 39.000 0.018 0.000 1.001 388 F HN 0.218 nan 8.300 nan 0.000 0.479 389 N N 0.381 119.261 118.700 0.300 0.000 2.058 389 N HA -0.169 4.561 4.740 -0.017 0.000 0.191 389 N C 2.124 177.674 175.510 0.067 0.000 1.037 389 N CA 1.799 54.961 53.050 0.185 0.000 0.848 389 N CB -0.825 37.742 38.487 0.134 0.000 1.021 389 N HN 0.211 nan 8.380 nan 0.000 0.422 390 V N 2.128 122.065 119.914 0.038 0.000 2.282 390 V HA -0.226 3.884 4.120 -0.017 0.000 0.249 390 V C 2.353 178.418 176.094 -0.049 0.000 1.057 390 V CA 1.387 63.681 62.300 -0.010 0.000 1.032 390 V CB -0.451 31.363 31.823 -0.014 0.000 0.645 390 V HN 0.231 nan 8.190 nan 0.000 0.447 391 I N 0.911 121.431 120.570 -0.083 0.000 2.179 391 I HA -0.237 3.923 4.170 -0.017 0.000 0.242 391 I C 2.575 178.609 176.117 -0.138 0.000 1.088 391 I CA 1.981 63.204 61.300 -0.129 0.000 1.357 391 I CB -0.481 37.397 38.000 -0.204 0.000 1.051 391 I HN 0.478 nan 8.210 nan 0.000 0.409 392 S N 0.076 115.685 115.700 -0.151 0.000 2.481 392 S HA -0.075 4.385 4.470 -0.017 0.000 0.231 392 S C 1.795 176.368 174.600 -0.045 0.000 0.996 392 S CA 0.609 58.747 58.200 -0.103 0.000 0.942 392 S CB -0.199 62.982 63.200 -0.031 0.000 0.768 392 S HN 0.430 nan 8.310 nan 0.000 0.520 393 K N 0.425 120.804 120.400 -0.036 0.000 2.244 393 K HA 0.347 4.657 4.320 -0.017 0.000 0.200 393 K C 1.851 178.420 176.600 -0.053 0.000 1.052 393 K CA 0.343 56.611 56.287 -0.032 0.000 0.980 393 K CB -0.092 32.396 32.500 -0.019 0.000 0.838 393 K HN 0.311 nan 8.250 nan 0.000 0.481 394 L N 0.454 121.639 121.223 -0.064 0.000 2.168 394 L HA 0.036 4.366 4.340 -0.017 0.000 0.203 394 L C 2.546 179.368 176.870 -0.081 0.000 1.078 394 L CA 0.643 55.438 54.840 -0.075 0.000 0.780 394 L CB -0.505 41.508 42.059 -0.077 0.000 0.939 394 L HN 0.105 nan 8.230 nan 0.000 0.451 395 A N 1.109 123.880 122.820 -0.082 0.000 1.915 395 A HA -0.198 4.112 4.320 -0.017 0.000 0.220 395 A C -0.124 177.406 177.584 -0.090 0.000 1.198 395 A CA 2.162 54.147 52.037 -0.087 0.000 0.647 395 A CB -1.968 16.978 19.000 -0.089 0.000 0.825 395 A HN 0.282 nan 8.150 nan 0.000 0.456 396 P HA -0.106 nan 4.420 nan 0.000 0.219 396 P C 1.131 178.379 177.300 -0.087 0.000 1.146 396 P CA 0.584 63.636 63.100 -0.079 0.000 0.808 396 P CB -0.073 31.589 31.700 -0.062 0.000 0.779 397 L N -0.626 120.545 121.223 -0.087 0.000 2.187 397 L HA -0.164 4.166 4.340 -0.017 0.000 0.213 397 L C 2.322 179.124 176.870 -0.114 0.000 1.100 397 L CA 1.706 56.492 54.840 -0.091 0.000 0.765 397 L CB -1.009 40.997 42.059 -0.088 0.000 0.904 397 L HN -0.018 nan 8.230 nan 0.000 0.437 398 R N -0.353 120.066 120.500 -0.135 0.000 2.120 398 R HA -0.090 4.240 4.340 -0.017 0.000 0.234 398 R C 1.909 178.094 176.300 -0.191 0.000 1.123 398 R CA 0.789 56.779 56.100 -0.183 0.000 0.975 398 R CB -0.442 29.741 30.300 -0.194 0.000 0.866 398 R HN 0.394 nan 8.270 nan 0.000 0.446 399 K N 0.551 120.862 120.400 -0.149 0.000 2.243 399 K HA 0.032 4.342 4.320 -0.017 0.000 0.201 399 K C 2.137 178.674 176.600 -0.104 0.000 1.051 399 K CA 1.270 57.478 56.287 -0.133 0.000 0.970 399 K CB 0.177 32.608 32.500 -0.115 0.000 0.755 399 K HN 0.215 nan 8.250 nan 0.000 0.465 400 S N 0.262 115.907 115.700 -0.092 0.000 2.412 400 S HA -0.025 4.435 4.470 -0.017 0.000 0.223 400 S C 0.964 175.524 174.600 -0.067 0.000 1.048 400 S CA -0.100 58.056 58.200 -0.073 0.000 0.954 400 S CB -0.315 62.846 63.200 -0.064 0.000 0.840 400 S HN 0.226 nan 8.310 nan 0.000 0.503 401 N N 2.641 121.298 118.700 -0.071 0.000 2.439 401 N HA 0.310 5.040 4.740 -0.017 0.000 0.249 401 N C -2.409 173.068 175.510 -0.055 0.000 1.003 401 N CA -2.057 50.962 53.050 -0.051 0.000 0.942 401 N CB 1.607 40.065 38.487 -0.048 0.000 1.115 401 N HN 0.003 nan 8.380 nan 0.000 0.505 402 P HA -0.078 nan 4.420 nan 0.000 0.222 402 P C 0.730 177.997 177.300 -0.055 0.000 1.147 402 P CA 0.647 63.727 63.100 -0.034 0.000 0.790 402 P CB 0.242 31.959 31.700 0.028 0.000 0.780 403 A N -0.472 122.390 122.820 0.069 0.000 2.015 403 A HA -0.135 4.175 4.320 -0.017 0.000 0.219 403 A C 2.065 179.653 177.584 0.006 0.000 1.163 403 A CA 1.168 53.272 52.037 0.112 0.000 0.646 403 A CB -1.235 17.841 19.000 0.125 0.000 0.806 403 A HN 0.070 nan 8.150 nan 0.000 0.448 404 I N -0.710 119.822 120.570 -0.063 0.000 2.406 404 I HA -0.116 4.044 4.170 -0.017 0.000 0.249 404 I C 2.750 178.745 176.117 -0.202 0.000 1.122 404 I CA 1.316 62.552 61.300 -0.106 0.000 1.431 404 I CB -1.242 36.690 38.000 -0.114 0.000 1.087 404 I HN 0.370 nan 8.210 nan 0.000 0.424 405 A N 0.233 122.854 122.820 -0.332 0.000 1.850 405 A HA -0.129 4.181 4.320 -0.017 0.000 0.212 405 A C 1.957 179.137 177.584 -0.672 0.000 1.208 405 A CA 1.102 52.767 52.037 -0.621 0.000 0.609 405 A CB -0.739 17.670 19.000 -0.985 0.000 0.860 405 A HN 0.344 nan 8.150 nan 0.000 0.448 406 Y N 0.370 120.492 120.300 -0.297 0.000 2.509 406 Y HA 0.306 4.847 4.550 -0.016 0.000 0.270 406 Y C 1.895 177.749 175.900 -0.076 0.000 1.103 406 Y CA -0.617 57.315 58.100 -0.280 0.000 1.278 406 Y CB -0.855 37.169 38.460 -0.726 0.000 1.087 406 Y HN 0.278 nan 8.280 nan 0.000 0.542 407 G N 1.013 109.869 108.800 0.093 0.000 2.562 407 G HA2 0.228 4.178 3.960 -0.017 0.000 0.233 407 G HA3 0.228 4.178 3.960 -0.017 0.000 0.233 407 G C 0.320 175.313 174.900 0.156 0.000 1.266 407 G CA 0.052 45.272 45.100 0.200 0.000 0.852 407 G HN 0.307 nan 8.290 nan 0.000 0.581 408 S N -0.109 115.695 115.700 0.173 0.000 2.669 408 S HA 0.702 5.162 4.470 -0.017 0.000 0.270 408 S C 0.166 174.835 174.600 0.116 0.000 1.225 408 S CA -0.499 57.781 58.200 0.133 0.000 0.991 408 S CB 1.655 64.931 63.200 0.128 0.000 0.987 408 S HN 0.647 nan 8.310 nan 0.000 0.552 409 T N 1.434 116.051 114.554 0.106 0.000 2.912 409 T HA 0.618 4.958 4.350 -0.017 0.000 0.288 409 T C -0.991 173.784 174.700 0.125 0.000 1.030 409 T CA -0.643 61.525 62.100 0.112 0.000 1.020 409 T CB 1.392 70.308 68.868 0.080 0.000 1.056 409 T HN 0.652 nan 8.240 nan 0.000 0.480 410 Q N 1.799 121.686 119.800 0.145 0.000 2.364 410 Q HA 0.133 4.463 4.340 -0.017 0.000 0.251 410 Q C -1.384 174.714 176.000 0.163 0.000 0.927 410 Q CA -0.527 55.363 55.803 0.144 0.000 0.924 410 Q CB 2.251 31.059 28.738 0.116 0.000 1.419 410 Q HN 0.714 nan 8.270 nan 0.000 0.427 411 Q N 3.129 123.050 119.800 0.202 0.000 2.337 411 Q HA 0.093 4.423 4.340 -0.017 0.000 0.270 411 Q C -0.326 175.787 176.000 0.188 0.000 1.002 411 Q CA 0.505 56.449 55.803 0.235 0.000 0.888 411 Q CB 0.752 29.708 28.738 0.364 0.000 1.222 411 Q HN 0.607 nan 8.270 nan 0.000 0.400 412 R N 2.865 123.487 120.500 0.203 0.000 2.453 412 R HA 0.199 4.529 4.340 -0.017 0.000 0.233 412 R C -0.614 175.893 176.300 0.345 0.000 0.895 412 R CA 0.270 56.502 56.100 0.219 0.000 1.028 412 R CB 0.711 31.124 30.300 0.189 0.000 1.255 412 R HN 0.756 nan 8.270 nan 0.000 0.571 413 W N -0.054 121.318 121.300 0.121 0.000 3.645 413 W HA 0.569 5.219 4.660 -0.017 0.000 0.285 413 W C -1.713 174.895 176.519 0.149 0.000 1.266 413 W CA -0.568 56.847 57.345 0.115 0.000 1.212 413 W CB 1.227 30.747 29.460 0.100 0.000 1.306 413 W HN -0.157 nan 8.180 nan 0.000 0.552 414 I N 4.988 125.628 120.570 0.116 0.000 2.897 414 I HA 0.483 4.643 4.170 -0.017 0.000 0.299 414 I C -1.818 174.154 176.117 -0.241 0.000 1.527 414 I CA -0.574 60.784 61.300 0.096 0.000 0.979 414 I CB 1.860 39.862 38.000 0.003 0.000 1.360 414 I HN 0.666 nan 8.210 nan 0.000 0.495 415 N N 1.892 120.474 118.700 -0.197 0.000 3.261 415 N HA 0.237 4.967 4.740 -0.017 0.000 0.248 415 N C -0.358 175.029 175.510 -0.206 0.000 1.498 415 N CA -0.364 52.593 53.050 -0.156 0.000 0.884 415 N CB -0.042 38.476 38.487 0.051 0.000 1.428 415 N HN 0.515 nan 8.380 nan 0.000 0.517 416 N N -0.812 117.895 118.700 0.011 0.000 2.247 416 N HA -0.196 4.534 4.740 -0.017 0.000 0.189 416 N C -0.146 175.338 175.510 -0.044 0.000 1.009 416 N CA 1.965 55.024 53.050 0.014 0.000 0.872 416 N CB -0.333 38.220 38.487 0.110 0.000 0.980 416 N HN 0.626 nan 8.380 nan 0.000 0.436 417 D N -1.132 119.272 120.400 0.008 0.000 2.454 417 D HA 0.218 4.848 4.640 -0.017 0.000 0.214 417 D C -0.407 175.933 176.300 0.065 0.000 1.088 417 D CA 0.001 54.011 54.000 0.016 0.000 0.855 417 D CB 0.956 41.781 40.800 0.042 0.000 1.025 417 D HN 0.042 nan 8.370 nan 0.000 0.502 418 V N 1.313 121.309 119.914 0.135 0.000 2.513 418 V HA 0.356 4.466 4.120 -0.017 0.000 0.299 418 V C -1.152 175.147 176.094 0.342 0.000 1.035 418 V CA -0.836 61.603 62.300 0.231 0.000 0.889 418 V CB 2.090 34.067 31.823 0.257 0.000 0.988 418 V HN -0.020 nan 8.190 nan 0.000 0.440 419 Y N 3.796 124.218 120.300 0.203 0.000 2.442 419 Y HA 0.748 5.288 4.550 -0.017 0.000 0.344 419 Y C -0.834 175.249 175.900 0.305 0.000 0.976 419 Y CA -1.536 56.718 58.100 0.256 0.000 1.040 419 Y CB 2.277 40.903 38.460 0.276 0.000 1.228 419 Y HN 0.320 nan 8.280 nan 0.000 0.451 420 V N 8.142 128.143 119.914 0.146 0.000 2.462 420 V HA 0.324 4.434 4.120 -0.017 0.000 0.288 420 V C -1.376 174.632 176.094 -0.144 0.000 1.020 420 V CA -0.813 61.487 62.300 -0.001 0.000 0.857 420 V CB 0.670 32.609 31.823 0.194 0.000 1.013 420 V HN 0.615 nan 8.190 nan 0.000 0.431 421 Y N 1.306 121.404 120.300 -0.335 0.000 2.509 421 Y HA 0.866 5.406 4.550 -0.016 0.000 0.341 421 Y C -0.241 175.595 175.900 -0.107 0.000 1.038 421 Y CA -1.385 56.544 58.100 -0.284 0.000 1.089 421 Y CB 1.466 39.662 38.460 -0.440 0.000 1.241 421 Y HN 0.581 nan 8.280 nan 0.000 0.468 422 E N 2.021 122.285 120.200 0.107 0.000 2.195 422 E HA 0.518 4.858 4.350 -0.017 0.000 0.271 422 E C -1.174 175.504 176.600 0.131 0.000 0.923 422 E CA -1.177 55.265 56.400 0.069 0.000 0.790 422 E CB 0.981 30.720 29.700 0.066 0.000 1.155 422 E HN 0.591 nan 8.360 nan 0.000 0.402 423 R N 3.258 123.817 120.500 0.099 0.000 2.451 423 R HA 0.347 4.677 4.340 -0.017 0.000 0.307 423 R C -1.037 175.327 176.300 0.106 0.000 0.965 423 R CA -0.604 55.563 56.100 0.111 0.000 0.865 423 R CB 1.374 31.729 30.300 0.091 0.000 1.174 423 R HN 0.654 nan 8.270 nan 0.000 0.455 424 K N 1.316 121.798 120.400 0.136 0.000 2.469 424 K HA 0.579 4.889 4.320 -0.017 0.000 0.254 424 K C -1.463 175.288 176.600 0.251 0.000 0.939 424 K CA -0.754 55.629 56.287 0.160 0.000 0.812 424 K CB 2.216 34.782 32.500 0.111 0.000 1.301 424 K HN 0.269 nan 8.250 nan 0.000 0.433 425 F N 2.177 122.166 119.950 0.064 0.000 2.828 425 F HA 0.428 4.945 4.527 -0.016 0.000 0.355 425 F C 0.436 176.264 175.800 0.047 0.000 1.200 425 F CA 0.781 58.820 58.000 0.066 0.000 1.062 425 F CB 1.240 40.293 39.000 0.089 0.000 1.351 425 F HN 1.048 nan 8.300 nan 0.000 0.504 426 G N 5.585 114.180 108.800 -0.342 0.000 2.596 426 G HA2 -0.389 3.561 3.960 -0.017 0.000 0.304 426 G HA3 -0.389 3.561 3.960 -0.017 0.000 0.304 426 G C 0.945 175.811 174.900 -0.056 0.000 1.189 426 G CA 0.589 45.528 45.100 -0.268 0.000 0.986 426 G HN 0.662 nan 8.290 nan 0.000 0.548 427 K N 0.746 121.148 120.400 0.002 0.000 2.314 427 K HA 0.272 4.582 4.320 -0.017 0.000 0.198 427 K C 1.160 177.875 176.600 0.191 0.000 1.045 427 K CA 0.687 57.037 56.287 0.106 0.000 0.988 427 K CB 0.099 32.678 32.500 0.132 0.000 0.783 427 K HN 0.264 nan 8.250 nan 0.000 0.484 428 S N 1.513 117.304 115.700 0.151 0.000 2.488 428 S HA 0.160 4.620 4.470 -0.017 0.000 0.278 428 S C -0.200 174.496 174.600 0.161 0.000 1.259 428 S CA -0.399 57.890 58.200 0.149 0.000 1.061 428 S CB 0.967 64.249 63.200 0.137 0.000 0.910 428 S HN -0.092 nan 8.310 nan 0.000 0.491 429 V N 2.104 122.113 119.914 0.159 0.000 2.864 429 V HA 0.897 5.007 4.120 -0.017 0.000 0.314 429 V C -0.210 175.912 176.094 0.047 0.000 1.073 429 V CA -0.833 61.530 62.300 0.105 0.000 0.956 429 V CB 1.972 33.850 31.823 0.093 0.000 1.023 429 V HN 0.902 nan 8.190 nan 0.000 0.435 430 A N 3.196 126.027 122.820 0.017 0.000 2.476 430 A HA 0.770 5.080 4.320 -0.017 0.000 0.280 430 A C -1.254 176.289 177.584 -0.068 0.000 1.081 430 A CA -0.376 51.642 52.037 -0.032 0.000 0.753 430 A CB 1.465 20.444 19.000 -0.036 0.000 1.248 430 A HN 0.591 nan 8.150 nan 0.000 0.424 431 V N 2.651 122.515 119.914 -0.084 0.000 2.483 431 V HA 0.619 4.729 4.120 -0.017 0.000 0.295 431 V C -0.247 175.654 176.094 -0.322 0.000 1.035 431 V CA -0.402 61.833 62.300 -0.109 0.000 0.896 431 V CB 1.735 33.625 31.823 0.111 0.000 0.986 431 V HN 0.682 nan 8.190 nan 0.000 0.447 432 V N 3.327 122.888 119.914 -0.588 0.000 2.656 432 V HA 0.861 4.971 4.120 -0.017 0.000 0.307 432 V C -0.039 175.724 176.094 -0.551 0.000 1.051 432 V CA -0.568 61.281 62.300 -0.751 0.000 0.893 432 V CB 1.898 33.035 31.823 -1.143 0.000 0.999 432 V HN 0.993 nan 8.190 nan 0.000 0.426 433 A N 4.144 126.746 122.820 -0.365 0.000 2.356 433 A HA 0.926 5.236 4.320 -0.017 0.000 0.310 433 A C -1.145 176.452 177.584 0.022 0.000 1.075 433 A CA -0.543 51.452 52.037 -0.071 0.000 0.746 433 A CB 1.700 20.773 19.000 0.122 0.000 1.221 433 A HN 0.762 nan 8.150 nan 0.000 0.443 434 V N 2.222 122.231 119.914 0.158 0.000 2.686 434 V HA 0.486 4.596 4.120 -0.017 0.000 0.306 434 V C -0.691 175.536 176.094 0.220 0.000 1.065 434 V CA -0.759 61.677 62.300 0.227 0.000 0.894 434 V CB 2.069 34.132 31.823 0.401 0.000 1.004 434 V HN 0.915 nan 8.190 nan 0.000 0.424 435 N N 2.968 121.777 118.700 0.181 0.000 2.626 435 N HA 0.300 5.030 4.740 -0.017 0.000 0.249 435 N C 0.990 176.593 175.510 0.156 0.000 1.021 435 N CA -0.773 52.363 53.050 0.143 0.000 0.886 435 N CB 1.188 39.733 38.487 0.097 0.000 1.149 435 N HN 0.693 nan 8.380 nan 0.000 0.517 436 R N 1.794 122.389 120.500 0.158 0.000 2.280 436 R HA 0.034 4.364 4.340 -0.017 0.000 0.207 436 R C 0.154 176.517 176.300 0.104 0.000 1.043 436 R CA 0.185 56.382 56.100 0.162 0.000 1.006 436 R CB -0.203 30.138 30.300 0.068 0.000 0.885 436 R HN 0.280 nan 8.270 nan 0.000 0.467 437 N N 1.574 120.320 118.700 0.077 0.000 2.452 437 N HA -0.030 4.700 4.740 -0.017 0.000 0.266 437 N C 0.130 175.681 175.510 0.069 0.000 1.209 437 N CA 0.118 53.205 53.050 0.061 0.000 0.929 437 N CB 0.932 39.450 38.487 0.052 0.000 1.063 437 N HN 0.241 nan 8.380 nan 0.000 0.472 438 L N 2.430 123.692 121.223 0.064 0.000 2.611 438 L HA 0.055 4.385 4.340 -0.017 0.000 0.229 438 L C 1.589 178.489 176.870 0.050 0.000 1.137 438 L CA 0.144 55.022 54.840 0.064 0.000 0.901 438 L CB 0.016 42.114 42.059 0.065 0.000 1.098 438 L HN 0.592 nan 8.230 nan 0.000 0.456 439 S N -4.117 111.610 115.700 0.044 0.000 2.631 439 S HA 0.192 4.652 4.470 -0.017 0.000 0.246 439 S C 0.675 175.295 174.600 0.034 0.000 1.068 439 S CA -0.297 57.924 58.200 0.036 0.000 0.995 439 S CB 0.459 63.677 63.200 0.031 0.000 0.944 439 S HN 0.115 nan 8.310 nan 0.000 0.529 440 T N 3.102 117.677 114.554 0.036 0.000 2.807 440 T HA 0.689 5.029 4.350 -0.017 0.000 0.279 440 T C 0.060 174.779 174.700 0.033 0.000 0.993 440 T CA -0.458 61.661 62.100 0.032 0.000 0.970 440 T CB 1.797 70.685 68.868 0.033 0.000 0.950 440 T HN 0.475 nan 8.240 nan 0.000 0.441 441 S N 1.731 117.446 115.700 0.025 0.000 2.646 441 S HA 0.857 5.317 4.470 -0.017 0.000 0.273 441 S C -0.134 174.464 174.600 -0.003 0.000 1.168 441 S CA -0.884 57.326 58.200 0.016 0.000 1.013 441 S CB 0.722 63.931 63.200 0.015 0.000 1.098 441 S HN 1.089 nan 8.310 nan 0.000 0.544 442 A N -0.045 122.748 122.820 -0.045 0.000 2.455 442 A HA 0.681 4.991 4.320 -0.017 0.000 0.300 442 A C -0.497 176.966 177.584 -0.202 0.000 1.040 442 A CA -0.687 51.293 52.037 -0.094 0.000 0.697 442 A CB 1.597 20.531 19.000 -0.111 0.000 1.265 442 A HN 0.643 nan 8.150 nan 0.000 0.407 443 S N 2.606 118.202 115.700 -0.174 0.000 3.170 443 S HA 0.303 4.763 4.470 -0.017 0.000 0.257 443 S C 0.077 174.475 174.600 -0.338 0.000 1.284 443 S CA -0.402 57.664 58.200 -0.223 0.000 0.973 443 S CB -0.731 62.415 63.200 -0.090 0.000 1.330 443 S HN 0.477 nan 8.310 nan 0.000 0.493 444 I N 4.464 124.604 120.570 -0.717 0.000 2.505 444 I HA 0.183 4.343 4.170 -0.017 0.000 0.287 444 I C 1.043 176.859 176.117 -0.501 0.000 1.104 444 I CA 0.076 60.811 61.300 -0.942 0.000 1.387 444 I CB -0.582 36.511 38.000 -1.511 0.000 1.404 444 I HN 0.424 nan 8.210 nan 0.000 0.528 445 T N 0.868 115.350 114.554 -0.120 0.000 2.900 445 T HA 0.671 5.011 4.350 -0.017 0.000 0.295 445 T C 0.397 175.212 174.700 0.192 0.000 1.044 445 T CA -0.392 61.730 62.100 0.037 0.000 0.995 445 T CB 1.934 70.840 68.868 0.062 0.000 1.072 445 T HN 1.086 nan 8.240 nan 0.000 0.473 446 G N 1.030 109.916 108.800 0.143 0.000 2.324 446 G HA2 -0.095 3.855 3.960 -0.017 0.000 0.292 446 G HA3 -0.095 3.855 3.960 -0.017 0.000 0.292 446 G C -0.431 174.606 174.900 0.228 0.000 1.079 446 G CA 0.156 45.355 45.100 0.165 0.000 1.026 446 G HN 1.319 nan 8.290 nan 0.000 0.506 447 L N 0.710 122.049 121.223 0.194 0.000 2.319 447 L HA 0.819 5.149 4.340 -0.017 0.000 0.281 447 L C 0.280 177.231 176.870 0.136 0.000 1.005 447 L CA -0.479 54.495 54.840 0.224 0.000 0.828 447 L CB 1.745 43.924 42.059 0.201 0.000 1.227 447 L HN 0.128 nan 8.230 nan 0.000 0.415 448 S N 2.502 118.279 115.700 0.129 0.000 2.632 448 S HA 0.835 5.295 4.470 -0.017 0.000 0.271 448 S C -0.027 174.616 174.600 0.071 0.000 1.260 448 S CA -0.040 58.208 58.200 0.080 0.000 1.010 448 S CB 1.380 64.623 63.200 0.071 0.000 0.965 448 S HN 0.891 nan 8.310 nan 0.000 0.534 449 T N -1.874 112.701 114.554 0.034 0.000 2.711 449 T HA 0.458 4.798 4.350 -0.017 0.000 0.302 449 T C -0.306 174.393 174.700 -0.002 0.000 1.373 449 T CA -0.755 61.356 62.100 0.018 0.000 1.000 449 T CB 1.046 69.904 68.868 -0.016 0.000 1.483 449 T HN 0.212 nan 8.240 nan 0.000 0.499 450 S N 0.256 115.950 115.700 -0.011 0.000 2.574 450 S HA 0.356 4.816 4.470 -0.017 0.000 0.242 450 S C 0.236 174.803 174.600 -0.056 0.000 0.982 450 S CA -0.544 57.646 58.200 -0.017 0.000 0.977 450 S CB -0.644 62.562 63.200 0.011 0.000 0.814 450 S HN 0.492 nan 8.310 nan 0.000 0.464 451 L N 4.391 125.553 121.223 -0.101 0.000 2.361 451 L HA 0.272 4.602 4.340 -0.017 0.000 0.278 451 L C -1.918 174.882 176.870 -0.116 0.000 1.113 451 L CA -1.827 52.901 54.840 -0.187 0.000 0.849 451 L CB 0.298 42.126 42.059 -0.385 0.000 1.155 451 L HN 0.030 nan 8.230 nan 0.000 0.452 452 P HA 0.002 nan 4.420 nan 0.000 0.271 452 P C -0.324 176.941 177.300 -0.059 0.000 1.233 452 P CA -0.413 62.567 63.100 -0.200 0.000 0.789 452 P CB 0.293 31.734 31.700 -0.431 0.000 0.951 453 T N 0.730 115.248 114.554 -0.060 0.000 2.849 453 T HA 0.371 4.711 4.350 -0.017 0.000 0.289 453 T C 0.703 175.358 174.700 -0.076 0.000 1.010 453 T CA 1.260 63.335 62.100 -0.042 0.000 1.161 453 T CB -0.538 68.299 68.868 -0.051 0.000 0.989 453 T HN 0.849 nan 8.240 nan 0.000 0.523 454 G N 1.543 110.274 108.800 -0.115 0.000 2.327 454 G HA2 0.457 4.407 3.960 -0.017 0.000 0.291 454 G HA3 0.457 4.407 3.960 -0.017 0.000 0.291 454 G C -1.059 173.586 174.900 -0.425 0.000 1.290 454 G CA -0.392 44.535 45.100 -0.288 0.000 0.857 454 G HN 0.981 nan 8.290 nan 0.000 0.520 455 S N -0.574 114.800 115.700 -0.543 0.000 2.596 455 S HA 0.715 5.175 4.470 -0.017 0.000 0.318 455 S C -1.263 172.984 174.600 -0.589 0.000 1.097 455 S CA -0.683 57.249 58.200 -0.446 0.000 1.080 455 S CB 1.034 64.093 63.200 -0.234 0.000 0.991 455 S HN 0.635 nan 8.310 nan 0.000 0.471 456 Y N 1.721 121.962 120.300 -0.097 0.000 2.320 456 Y HA 0.459 4.999 4.550 -0.017 0.000 0.334 456 Y C 0.986 176.925 175.900 0.065 0.000 1.055 456 Y CA -0.596 57.496 58.100 -0.014 0.000 1.143 456 Y CB 1.476 39.920 38.460 -0.027 0.000 1.193 456 Y HN 0.588 nan 8.280 nan 0.000 0.477 457 T N 3.007 117.734 114.554 0.288 0.000 2.795 457 T HA 0.063 4.403 4.350 -0.017 0.000 0.282 457 T C -0.587 174.302 174.700 0.314 0.000 0.980 457 T CA -0.824 61.423 62.100 0.244 0.000 1.012 457 T CB 0.457 69.401 68.868 0.126 0.000 0.936 457 T HN 0.515 nan 8.240 nan 0.000 0.457 458 D N 3.187 123.761 120.400 0.290 0.000 2.479 458 D HA -0.059 4.571 4.640 -0.017 0.000 0.257 458 D C 1.244 177.536 176.300 -0.014 0.000 1.230 458 D CA 0.006 54.035 54.000 0.048 0.000 0.912 458 D CB 0.456 41.291 40.800 0.059 0.000 1.130 458 D HN 0.206 nan 8.370 nan 0.000 0.515 459 V N 4.681 124.549 119.914 -0.077 0.000 2.453 459 V HA -0.256 3.854 4.120 -0.017 0.000 0.252 459 V C 2.310 178.372 176.094 -0.053 0.000 1.068 459 V CA 1.364 63.633 62.300 -0.052 0.000 1.070 459 V CB -0.484 31.292 31.823 -0.077 0.000 0.664 459 V HN 0.636 nan 8.190 nan 0.000 0.461 460 L N 0.579 121.753 121.223 -0.083 0.000 2.622 460 L HA 0.141 4.471 4.340 -0.017 0.000 0.233 460 L C 1.842 178.701 176.870 -0.019 0.000 1.156 460 L CA 0.797 55.604 54.840 -0.054 0.000 0.866 460 L CB -0.945 41.069 42.059 -0.074 0.000 0.980 460 L HN 0.546 nan 8.230 nan 0.000 0.448 461 G N 0.058 108.854 108.800 -0.006 0.000 2.233 461 G HA2 -0.305 3.645 3.960 -0.017 0.000 0.270 461 G HA3 -0.305 3.645 3.960 -0.017 0.000 0.270 461 G C 1.032 175.943 174.900 0.019 0.000 1.011 461 G CA 0.430 45.538 45.100 0.014 0.000 0.762 461 G HN 0.720 nan 8.290 nan 0.000 0.511 462 G N -2.306 106.503 108.800 0.015 0.000 2.148 462 G HA2 -0.135 3.815 3.960 -0.017 0.000 0.254 462 G HA3 -0.135 3.815 3.960 -0.017 0.000 0.254 462 G C 1.792 176.707 174.900 0.025 0.000 0.981 462 G CA 1.796 46.911 45.100 0.026 0.000 0.670 462 G HN 2.124 nan 8.290 nan 0.000 0.528 463 V N -1.893 118.033 119.914 0.020 0.000 2.546 463 V HA 0.079 4.189 4.120 -0.017 0.000 0.254 463 V C 1.887 178.001 176.094 0.033 0.000 1.076 463 V CA 2.121 64.438 62.300 0.029 0.000 1.087 463 V CB -0.433 31.410 31.823 0.033 0.000 0.674 463 V HN 0.492 nan 8.190 nan 0.000 0.470 464 L N 1.406 122.644 121.223 0.024 0.000 3.108 464 L HA 0.449 4.779 4.340 -0.017 0.000 0.251 464 L C 0.468 177.360 176.870 0.036 0.000 1.315 464 L CA -0.274 54.584 54.840 0.029 0.000 1.048 464 L CB -0.580 41.489 42.059 0.016 0.000 1.432 464 L HN 0.337 nan 8.230 nan 0.000 0.543 465 N N 0.361 119.087 118.700 0.043 0.000 2.693 465 N HA -0.159 4.571 4.740 -0.017 0.000 0.249 465 N C 0.602 176.155 175.510 0.072 0.000 1.119 465 N CA 1.041 54.125 53.050 0.056 0.000 0.717 465 N CB -0.985 37.538 38.487 0.060 0.000 1.071 465 N HN 0.634 nan 8.380 nan 0.000 0.555 466 G N 0.384 109.218 108.800 0.057 0.000 2.507 466 G HA2 0.416 4.366 3.960 -0.017 0.000 0.271 466 G HA3 0.416 4.366 3.960 -0.017 0.000 0.271 466 G C 0.452 175.429 174.900 0.130 0.000 1.189 466 G CA -0.397 44.748 45.100 0.074 0.000 0.859 466 G HN 0.445 nan 8.290 nan 0.000 0.542 467 N N -0.102 118.735 118.700 0.227 0.000 2.545 467 N HA 0.243 4.973 4.740 -0.017 0.000 0.289 467 N C -1.112 174.573 175.510 0.292 0.000 1.279 467 N CA -0.868 52.305 53.050 0.206 0.000 0.824 467 N CB 1.576 40.169 38.487 0.176 0.000 1.395 467 N HN 0.474 nan 8.380 nan 0.000 0.526 468 N N -0.054 118.717 118.700 0.119 0.000 2.466 468 N HA 0.491 5.221 4.740 -0.017 0.000 0.294 468 N C -0.270 175.079 175.510 -0.267 0.000 1.129 468 N CA -0.466 52.614 53.050 0.050 0.000 0.931 468 N CB 2.224 40.732 38.487 0.035 0.000 1.193 468 N HN 0.577 nan 8.380 nan 0.000 0.500 469 I N -2.550 117.723 120.570 -0.495 0.000 3.206 469 I HA 0.629 4.789 4.170 -0.017 0.000 0.313 469 I C -0.829 175.088 176.117 -0.332 0.000 1.103 469 I CA -0.693 60.235 61.300 -0.619 0.000 0.985 469 I CB 2.389 39.667 38.000 -1.204 0.000 1.240 469 I HN 0.183 nan 8.210 nan 0.000 0.464 470 T N 1.540 115.932 114.554 -0.271 0.000 2.879 470 T HA 0.406 4.746 4.350 -0.017 0.000 0.290 470 T C -0.589 174.051 174.700 -0.100 0.000 0.993 470 T CA -0.532 61.475 62.100 -0.154 0.000 0.975 470 T CB 1.418 70.209 68.868 -0.128 0.000 0.981 470 T HN 0.710 nan 8.240 nan 0.000 0.439 471 S N 2.000 117.688 115.700 -0.019 0.000 2.565 471 S HA 0.721 5.181 4.470 -0.017 0.000 0.290 471 S C -0.187 174.403 174.600 -0.016 0.000 1.150 471 S CA -0.564 57.643 58.200 0.012 0.000 1.058 471 S CB 0.580 63.862 63.200 0.137 0.000 1.032 471 S HN 0.833 nan 8.310 nan 0.000 0.510 472 T N 1.561 116.105 114.554 -0.017 0.000 3.296 472 T HA 0.437 4.777 4.350 -0.017 0.000 0.333 472 T C -0.597 174.094 174.700 -0.014 0.000 1.280 472 T CA -0.828 61.260 62.100 -0.021 0.000 1.558 472 T CB -0.824 68.032 68.868 -0.021 0.000 0.929 472 T HN 0.778 nan 8.240 nan 0.000 0.596 473 N N 1.344 120.034 118.700 -0.018 0.000 2.771 473 N HA -0.111 4.619 4.740 -0.017 0.000 0.249 473 N C 1.310 176.812 175.510 -0.013 0.000 1.069 473 N CA 1.317 54.356 53.050 -0.019 0.000 0.688 473 N CB -1.335 37.144 38.487 -0.014 0.000 0.928 473 N HN 1.332 nan 8.380 nan 0.000 0.551 474 G N -1.446 107.344 108.800 -0.015 0.000 2.328 474 G HA2 -0.385 3.565 3.960 -0.017 0.000 0.256 474 G HA3 -0.385 3.565 3.960 -0.017 0.000 0.256 474 G C 0.308 175.205 174.900 -0.004 0.000 1.014 474 G CA 0.559 45.650 45.100 -0.014 0.000 0.620 474 G HN 0.819 nan 8.290 nan 0.000 0.530 475 S N 1.514 117.215 115.700 0.001 0.000 2.488 475 S HA 0.513 4.973 4.470 -0.017 0.000 0.278 475 S C 0.590 175.188 174.600 -0.004 0.000 1.259 475 S CA -0.520 57.687 58.200 0.011 0.000 1.061 475 S CB -0.094 63.113 63.200 0.012 0.000 0.910 475 S HN 0.323 nan 8.310 nan 0.000 0.491 476 I N 5.016 125.587 120.570 0.001 0.000 2.392 476 I HA 0.249 4.409 4.170 -0.017 0.000 0.295 476 I C 0.765 176.887 176.117 0.009 0.000 0.985 476 I CA -0.613 60.665 61.300 -0.036 0.000 1.221 476 I CB 0.862 38.820 38.000 -0.070 0.000 1.366 476 I HN 0.647 nan 8.210 nan 0.000 0.467 477 N N 4.419 123.107 118.700 -0.020 0.000 2.340 477 N HA 0.027 4.757 4.740 -0.017 0.000 0.236 477 N C 0.039 175.617 175.510 0.114 0.000 1.296 477 N CA -0.286 52.777 53.050 0.021 0.000 0.896 477 N CB 0.410 38.889 38.487 -0.015 0.000 1.127 477 N HN 0.477 nan 8.380 nan 0.000 0.442 478 N N 0.684 119.439 118.700 0.092 0.000 2.441 478 N HA 0.213 4.943 4.740 -0.017 0.000 0.251 478 N C -0.900 174.722 175.510 0.186 0.000 1.242 478 N CA 0.454 53.558 53.050 0.089 0.000 0.898 478 N CB 0.086 38.589 38.487 0.027 0.000 1.100 478 N HN 0.436 nan 8.380 nan 0.000 0.443 479 F N -2.613 117.282 119.950 -0.092 0.000 2.719 479 F HA 0.372 4.889 4.527 -0.017 0.000 0.309 479 F C -0.970 174.781 175.800 -0.081 0.000 1.138 479 F CA -1.017 56.932 58.000 -0.085 0.000 0.943 479 F CB 0.798 39.731 39.000 -0.111 0.000 1.304 479 F HN 0.061 nan 8.300 nan 0.000 0.445 480 T N 4.047 118.600 114.554 -0.002 0.000 2.753 480 T HA 0.445 4.785 4.350 -0.017 0.000 0.297 480 T C -0.817 173.909 174.700 0.043 0.000 0.981 480 T CA -0.291 61.753 62.100 -0.093 0.000 0.956 480 T CB 0.642 69.501 68.868 -0.016 0.000 0.936 480 T HN 0.679 nan 8.240 nan 0.000 0.463 481 L N 4.998 126.165 121.223 -0.093 0.000 2.369 481 L HA 0.563 4.893 4.340 -0.017 0.000 0.279 481 L C 0.691 177.600 176.870 0.066 0.000 1.108 481 L CA -0.278 54.619 54.840 0.094 0.000 0.852 481 L CB -0.510 41.554 42.059 0.009 0.000 1.169 481 L HN 0.740 nan 8.230 nan 0.000 0.452 482 A N 4.666 127.552 122.820 0.109 0.000 2.475 482 A HA 0.499 4.809 4.320 -0.017 0.000 0.239 482 A C 0.440 178.064 177.584 0.066 0.000 1.087 482 A CA 0.175 52.259 52.037 0.078 0.000 0.779 482 A CB -0.223 18.827 19.000 0.084 0.000 1.036 482 A HN 1.166 nan 8.150 nan 0.000 0.506 483 A N 0.057 122.911 122.820 0.057 0.000 2.454 483 A HA 0.505 4.815 4.320 -0.017 0.000 0.260 483 A C 1.553 179.178 177.584 0.069 0.000 1.106 483 A CA 0.597 52.668 52.037 0.057 0.000 0.780 483 A CB -0.962 18.066 19.000 0.048 0.000 1.044 483 A HN 2.754 nan 8.150 nan 0.000 0.498 484 G N 1.014 109.863 108.800 0.082 0.000 2.166 484 G HA2 0.091 4.041 3.960 -0.017 0.000 0.260 484 G HA3 0.091 4.041 3.960 -0.017 0.000 0.260 484 G C 0.625 175.582 174.900 0.095 0.000 0.986 484 G CA 0.668 45.827 45.100 0.097 0.000 0.683 484 G HN 2.069 nan 8.290 nan 0.000 0.527 485 A N -0.888 121.986 122.820 0.090 0.000 2.313 485 A HA 0.878 5.188 4.320 -0.017 0.000 0.261 485 A C 0.655 178.287 177.584 0.080 0.000 1.090 485 A CA 1.009 53.095 52.037 0.082 0.000 0.807 485 A CB 1.076 20.133 19.000 0.095 0.000 1.055 485 A HN 1.867 nan 8.150 nan 0.000 0.492 486 T N -1.068 113.509 114.554 0.038 0.000 3.578 486 T HA 0.588 4.928 4.350 -0.017 0.000 0.343 486 T C -0.941 173.688 174.700 -0.117 0.000 1.126 486 T CA 0.322 62.415 62.100 -0.012 0.000 1.092 486 T CB 0.495 69.373 68.868 0.017 0.000 1.160 486 T HN 2.021 nan 8.240 nan 0.000 0.469 487 A N 3.504 126.154 122.820 -0.284 0.000 2.469 487 A HA 0.923 5.233 4.320 -0.017 0.000 0.299 487 A C -1.135 175.867 177.584 -0.970 0.000 1.098 487 A CA -0.723 50.990 52.037 -0.540 0.000 0.737 487 A CB 2.155 20.872 19.000 -0.473 0.000 1.312 487 A HN 0.955 nan 8.150 nan 0.000 0.414 488 V N 1.616 120.945 119.914 -0.976 0.000 2.531 488 V HA 0.532 4.642 4.120 -0.017 0.000 0.301 488 V C -1.146 174.381 176.094 -0.945 0.000 1.034 488 V CA -0.517 61.251 62.300 -0.887 0.000 0.865 488 V CB 1.489 33.053 31.823 -0.432 0.000 0.995 488 V HN 0.826 nan 8.190 nan 0.000 0.424 489 W N 3.718 124.940 121.300 -0.130 0.000 2.761 489 W HA 0.752 5.402 4.660 -0.016 0.000 0.340 489 W C -0.175 176.245 176.519 -0.164 0.000 1.072 489 W CA -0.638 56.630 57.345 -0.128 0.000 1.215 489 W CB 2.057 31.401 29.460 -0.194 0.000 1.420 489 W HN 0.734 nan 8.180 nan 0.000 0.519 490 Q N 0.959 120.812 119.800 0.089 0.000 2.615 490 Q HA 0.755 5.085 4.340 -0.017 0.000 0.298 490 Q C -2.152 173.928 176.000 0.135 0.000 1.023 490 Q CA -1.088 54.736 55.803 0.034 0.000 0.768 490 Q CB 3.430 32.181 28.738 0.022 0.000 1.500 490 Q HN 0.341 nan 8.270 nan 0.000 0.441 491 Y N -0.291 120.012 120.300 0.005 0.000 2.436 491 Y HA 0.598 5.138 4.550 -0.017 0.000 0.327 491 Y C -1.815 174.120 175.900 0.059 0.000 1.138 491 Y CA -0.219 57.931 58.100 0.084 0.000 1.042 491 Y CB 2.676 41.175 38.460 0.064 0.000 1.302 491 Y HN 0.918 nan 8.280 nan 0.000 0.439 492 T N 4.373 118.434 114.554 -0.821 0.000 3.032 492 T HA 0.579 4.919 4.350 -0.017 0.000 0.312 492 T C -1.802 172.549 174.700 -0.582 0.000 1.078 492 T CA -0.301 61.501 62.100 -0.496 0.000 1.028 492 T CB 1.286 70.028 68.868 -0.209 0.000 1.091 492 T HN 0.797 nan 8.240 nan 0.000 0.457 493 T N 2.645 117.014 114.554 -0.309 0.000 3.032 493 T HA 0.655 4.995 4.350 -0.017 0.000 0.312 493 T C -0.207 174.462 174.700 -0.052 0.000 1.078 493 T CA -0.063 61.940 62.100 -0.162 0.000 1.028 493 T CB 0.879 69.716 68.868 -0.052 0.000 1.091 493 T HN 1.010 nan 8.240 nan 0.000 0.457 494 A N 3.901 126.695 122.820 -0.042 0.000 2.547 494 A HA 0.193 4.503 4.320 -0.017 0.000 0.269 494 A C 0.508 178.087 177.584 -0.008 0.000 1.041 494 A CA 0.378 52.402 52.037 -0.022 0.000 0.855 494 A CB -0.580 18.410 19.000 -0.018 0.000 0.934 494 A HN 0.842 nan 8.150 nan 0.000 0.521 495 E N 1.757 121.950 120.200 -0.011 0.000 2.392 495 E HA 0.255 4.595 4.350 -0.017 0.000 0.264 495 E C 1.208 177.802 176.600 -0.011 0.000 1.024 495 E CA 0.928 57.318 56.400 -0.017 0.000 0.903 495 E CB 0.877 30.555 29.700 -0.036 0.000 0.963 495 E HN 0.623 nan 8.360 nan 0.000 0.432 496 T N 1.042 115.595 114.554 -0.001 0.000 2.999 496 T HA 0.067 4.407 4.350 -0.017 0.000 0.247 496 T C 0.640 175.358 174.700 0.030 0.000 1.012 496 T CA 0.655 62.765 62.100 0.017 0.000 1.048 496 T CB -0.022 68.858 68.868 0.020 0.000 1.020 496 T HN 0.509 nan 8.240 nan 0.000 0.478 497 T N 3.312 117.875 114.554 0.015 0.000 2.909 497 T HA 0.557 4.897 4.350 -0.017 0.000 0.286 497 T C -2.767 171.956 174.700 0.038 0.000 1.002 497 T CA -1.964 60.154 62.100 0.029 0.000 1.074 497 T CB 1.371 70.243 68.868 0.007 0.000 0.984 497 T HN 0.087 nan 8.240 nan 0.000 0.495 498 P HA 0.252 nan 4.420 nan 0.000 0.269 498 P C -0.484 176.879 177.300 0.104 0.000 1.215 498 P CA 0.074 63.289 63.100 0.193 0.000 0.780 498 P CB 0.723 32.582 31.700 0.266 0.000 0.898 499 T N 2.348 116.986 114.554 0.141 0.000 3.933 499 T HA 0.340 4.680 4.350 -0.017 0.000 0.357 499 T C -0.579 174.238 174.700 0.196 0.000 1.077 499 T CA -0.579 61.554 62.100 0.055 0.000 1.082 499 T CB -0.281 68.452 68.868 -0.226 0.000 1.158 499 T HN 0.132 nan 8.240 nan 0.000 0.472 500 I N 4.162 124.885 120.570 0.255 0.000 2.575 500 I HA 0.445 4.605 4.170 -0.017 0.000 0.285 500 I C 1.554 177.836 176.117 0.275 0.000 1.085 500 I CA 0.419 61.866 61.300 0.245 0.000 1.403 500 I CB 1.249 39.346 38.000 0.162 0.000 1.409 500 I HN 0.858 nan 8.210 nan 0.000 0.557 501 G N 4.171 112.970 108.800 -0.002 0.000 2.780 501 G HA2 0.062 4.012 3.960 -0.017 0.000 0.198 501 G HA3 0.062 4.012 3.960 -0.017 0.000 0.198 501 G C 0.154 175.162 174.900 0.181 0.000 1.067 501 G CA 0.287 45.294 45.100 -0.155 0.000 0.765 501 G HN 0.624 nan 8.290 nan 0.000 0.581 502 H N -0.744 118.211 119.070 -0.192 0.000 3.079 502 H HA 0.553 5.099 4.556 -0.017 0.000 0.356 502 H C -2.138 172.887 175.328 -0.505 0.000 1.221 502 H CA -0.279 55.676 56.048 -0.155 0.000 1.185 502 H CB 2.388 32.284 29.762 0.223 0.000 1.882 502 H HN -0.065 nan 8.280 nan 0.000 0.543 503 V N 2.357 121.505 119.914 -1.276 0.000 2.789 503 V HA 0.732 4.842 4.120 -0.017 0.000 0.311 503 V C 0.027 175.749 176.094 -0.620 0.000 1.073 503 V CA -0.096 61.737 62.300 -0.779 0.000 0.921 503 V CB 1.871 33.282 31.823 -0.687 0.000 1.009 503 V HN 0.945 nan 8.190 nan 0.000 0.426 504 G N 4.164 112.839 108.800 -0.209 0.000 2.752 504 G HA2 0.627 4.577 3.960 -0.017 0.000 0.298 504 G HA3 0.627 4.577 3.960 -0.017 0.000 0.298 504 G C -3.383 171.494 174.900 -0.038 0.000 1.434 504 G CA -0.806 44.260 45.100 -0.057 0.000 1.004 504 G HN 0.503 nan 8.290 nan 0.000 0.560 505 P HA 0.285 nan 4.420 nan 0.000 0.277 505 P C 0.705 177.920 177.300 -0.141 0.000 1.276 505 P CA -0.183 62.715 63.100 -0.338 0.000 0.788 505 P CB 1.492 32.504 31.700 -1.147 0.000 1.114 506 V N -3.062 116.740 119.914 -0.186 0.000 2.933 506 V HA 0.564 4.674 4.120 -0.017 0.000 0.374 506 V C 0.245 175.937 176.094 -0.671 0.000 1.321 506 V CA -0.022 62.083 62.300 -0.326 0.000 1.290 506 V CB -0.823 30.963 31.823 -0.063 0.000 1.346 506 V HN 0.520 nan 8.190 nan 0.000 0.560 507 M N 0.685 119.966 119.600 -0.531 0.000 2.562 507 M HA 0.759 5.229 4.480 -0.017 0.000 0.281 507 M C -0.757 175.492 176.300 -0.084 0.000 1.195 507 M CA 0.382 55.488 55.300 -0.324 0.000 0.888 507 M CB 2.244 34.816 32.600 -0.047 0.000 1.731 507 M HN 0.577 nan 8.290 nan 0.000 0.493 508 G N 2.652 111.453 108.800 0.001 0.000 2.358 508 G HA2 0.208 4.158 3.960 -0.017 0.000 0.303 508 G HA3 0.208 4.158 3.960 -0.017 0.000 0.303 508 G C -2.235 172.712 174.900 0.078 0.000 1.537 508 G CA -0.856 44.299 45.100 0.091 0.000 0.928 508 G HN 0.972 nan 8.290 nan 0.000 0.656 509 K N 1.076 121.510 120.400 0.057 0.000 2.237 509 K HA 0.583 4.893 4.320 -0.017 0.000 0.270 509 K C -2.266 174.334 176.600 -0.000 0.000 1.015 509 K CA -1.276 55.029 56.287 0.029 0.000 0.949 509 K CB 1.558 34.072 32.500 0.023 0.000 0.976 509 K HN 0.281 nan 8.250 nan 0.000 0.472 510 P HA -0.016 nan 4.420 nan 0.000 0.268 510 P C 0.424 177.685 177.300 -0.065 0.000 1.204 510 P CA 0.771 63.816 63.100 -0.093 0.000 0.768 510 P CB 0.792 32.430 31.700 -0.104 0.000 0.842 511 G N 1.780 110.533 108.800 -0.080 0.000 2.231 511 G HA2 -0.165 3.785 3.960 -0.017 0.000 0.206 511 G HA3 -0.165 3.785 3.960 -0.017 0.000 0.206 511 G C 0.288 175.167 174.900 -0.034 0.000 0.996 511 G CA -0.422 44.647 45.100 -0.052 0.000 0.645 511 G HN 0.521 nan 8.290 nan 0.000 0.498 512 N N -0.422 118.264 118.700 -0.023 0.000 2.418 512 N HA 0.679 5.409 4.740 -0.017 0.000 0.283 512 N C -0.049 175.459 175.510 -0.004 0.000 1.267 512 N CA -0.094 52.957 53.050 0.002 0.000 0.975 512 N CB 1.306 39.815 38.487 0.038 0.000 1.167 512 N HN 0.200 nan 8.380 nan 0.000 0.581 513 V N 0.565 120.485 119.914 0.010 0.000 2.540 513 V HA 0.532 4.642 4.120 -0.017 0.000 0.302 513 V C -0.170 175.938 176.094 0.023 0.000 1.035 513 V CA -0.833 61.472 62.300 0.008 0.000 0.873 513 V CB 1.581 33.402 31.823 -0.002 0.000 0.992 513 V HN 0.483 nan 8.190 nan 0.000 0.428 514 V N 1.331 121.267 119.914 0.037 0.000 2.960 514 V HA 0.806 4.916 4.120 -0.017 0.000 0.315 514 V C -0.258 175.831 176.094 -0.009 0.000 1.087 514 V CA -0.459 61.868 62.300 0.045 0.000 0.982 514 V CB 2.207 34.117 31.823 0.145 0.000 1.039 514 V HN 0.762 nan 8.190 nan 0.000 0.437 515 T N 4.376 118.916 114.554 -0.025 0.000 2.772 515 T HA 0.596 4.936 4.350 -0.017 0.000 0.288 515 T C -0.115 174.530 174.700 -0.091 0.000 0.994 515 T CA -0.029 62.042 62.100 -0.048 0.000 0.951 515 T CB 0.552 69.413 68.868 -0.011 0.000 0.933 515 T HN 0.624 nan 8.240 nan 0.000 0.447 516 I N 3.647 124.130 120.570 -0.145 0.000 2.276 516 I HA 0.236 4.396 4.170 -0.017 0.000 0.290 516 I C -0.029 176.055 176.117 -0.054 0.000 1.109 516 I CA -0.701 60.484 61.300 -0.192 0.000 1.229 516 I CB 0.356 38.160 38.000 -0.325 0.000 1.452 516 I HN 0.417 nan 8.210 nan 0.000 0.497 517 D N 4.711 125.086 120.400 -0.041 0.000 2.302 517 D HA 0.622 5.252 4.640 -0.017 0.000 0.248 517 D C 0.459 176.642 176.300 -0.196 0.000 1.094 517 D CA 0.363 54.329 54.000 -0.056 0.000 0.897 517 D CB 2.300 43.088 40.800 -0.020 0.000 1.200 517 D HN 0.734 nan 8.370 nan 0.000 0.429 518 G N 0.998 109.558 108.800 -0.400 0.000 2.450 518 G HA2 0.385 4.335 3.960 -0.017 0.000 0.273 518 G HA3 0.385 4.335 3.960 -0.017 0.000 0.273 518 G C -1.092 173.326 174.900 -0.803 0.000 1.221 518 G CA -0.571 44.145 45.100 -0.639 0.000 0.900 518 G HN 0.307 nan 8.290 nan 0.000 0.483 519 R N -1.306 118.727 120.500 -0.778 0.000 2.817 519 R HA 0.579 4.909 4.340 -0.017 0.000 0.268 519 R C 0.676 176.672 176.300 -0.506 0.000 1.027 519 R CA -0.119 55.677 56.100 -0.507 0.000 0.928 519 R CB 1.235 31.504 30.300 -0.052 0.000 1.228 519 R HN 2.021 nan 8.270 nan 0.000 0.469 520 G N 1.095 109.743 108.800 -0.254 0.000 2.269 520 G HA2 -0.311 3.639 3.960 -0.017 0.000 0.277 520 G HA3 -0.311 3.639 3.960 -0.017 0.000 0.277 520 G C 0.542 175.491 174.900 0.082 0.000 1.008 520 G CA 0.907 45.962 45.100 -0.073 0.000 0.774 520 G HN 0.383 nan 8.290 nan 0.000 0.511 521 F N 0.796 120.760 119.950 0.023 0.000 1.978 521 F HA 0.422 4.939 4.527 -0.017 0.000 0.296 521 F C 1.978 177.919 175.800 0.235 0.000 1.251 521 F CA 1.500 59.549 58.000 0.081 0.000 1.166 521 F CB -1.082 37.844 39.000 -0.123 0.000 0.965 521 F HN 0.905 nan 8.300 nan 0.000 0.498 522 G N -2.100 107.026 108.800 0.542 0.000 2.352 522 G HA2 0.198 4.148 3.960 -0.017 0.000 0.302 522 G HA3 0.198 4.148 3.960 -0.017 0.000 0.302 522 G C 0.002 175.184 174.900 0.470 0.000 1.370 522 G CA -0.137 45.206 45.100 0.406 0.000 0.918 522 G HN 0.096 nan 8.290 nan 0.000 0.610 523 S N -0.773 115.080 115.700 0.254 0.000 2.478 523 S HA 0.157 4.617 4.470 -0.017 0.000 0.222 523 S C 1.073 175.728 174.600 0.091 0.000 1.008 523 S CA 1.182 59.504 58.200 0.205 0.000 0.928 523 S CB 0.183 63.446 63.200 0.104 0.000 0.781 523 S HN 0.779 nan 8.310 nan 0.000 0.518 524 T N 2.926 117.439 114.554 -0.069 0.000 2.733 524 T HA 0.239 4.579 4.350 -0.017 0.000 0.294 524 T C -0.191 174.008 174.700 -0.834 0.000 0.956 524 T CA -0.508 61.413 62.100 -0.297 0.000 0.987 524 T CB 1.062 69.806 68.868 -0.207 0.000 0.920 524 T HN 0.122 nan 8.240 nan 0.000 0.470 525 K N 3.062 122.993 120.400 -0.782 0.000 2.366 525 K HA 0.098 4.408 4.320 -0.017 0.000 0.272 525 K C 0.968 176.916 176.600 -1.087 0.000 1.151 525 K CA -0.103 55.566 56.287 -1.030 0.000 1.173 525 K CB -0.232 32.066 32.500 -0.336 0.000 0.853 525 K HN 0.821 nan 8.250 nan 0.000 0.473 526 G N 1.941 109.587 108.800 -1.924 0.000 3.182 526 G HA2 0.144 4.094 3.960 -0.017 0.000 0.167 526 G HA3 0.144 4.094 3.960 -0.017 0.000 0.167 526 G C -0.613 174.029 174.900 -0.430 0.000 1.537 526 G CA -0.154 44.350 45.100 -0.994 0.000 1.046 526 G HN 0.543 nan 8.290 nan 0.000 0.580 527 T N -0.686 113.827 114.554 -0.069 0.000 2.890 527 T HA 0.513 4.853 4.350 -0.017 0.000 0.295 527 T C -0.849 173.993 174.700 0.237 0.000 0.993 527 T CA -0.526 61.611 62.100 0.062 0.000 0.979 527 T CB 1.084 69.926 68.868 -0.043 0.000 0.967 527 T HN 0.273 nan 8.240 nan 0.000 0.441 528 V N 5.721 125.733 119.914 0.163 0.000 2.686 528 V HA 0.522 4.632 4.120 -0.017 0.000 0.295 528 V C -0.939 175.215 176.094 0.101 0.000 1.057 528 V CA -0.462 61.912 62.300 0.123 0.000 1.012 528 V CB 0.961 32.812 31.823 0.047 0.000 1.006 528 V HN 0.869 nan 8.190 nan 0.000 0.477 529 Y N 2.802 123.025 120.300 -0.129 0.000 2.346 529 Y HA 0.519 5.059 4.550 -0.017 0.000 0.332 529 Y C -0.508 175.275 175.900 -0.195 0.000 0.985 529 Y CA -0.967 57.095 58.100 -0.064 0.000 1.112 529 Y CB 1.606 40.042 38.460 -0.041 0.000 1.170 529 Y HN 0.494 nan 8.280 nan 0.000 0.447 530 F N 3.131 123.098 119.950 0.029 0.000 2.351 530 F HA 0.500 5.017 4.527 -0.017 0.000 0.362 530 F C 1.108 176.986 175.800 0.130 0.000 1.131 530 F CA 0.225 58.189 58.000 -0.059 0.000 1.187 530 F CB 0.429 39.241 39.000 -0.313 0.000 1.434 530 F HN 0.809 nan 8.300 nan 0.000 0.553 531 G N 2.162 111.147 108.800 0.307 0.000 2.609 531 G HA2 -0.411 3.539 3.960 -0.017 0.000 0.288 531 G HA3 -0.411 3.539 3.960 -0.017 0.000 0.288 531 G C 1.222 176.295 174.900 0.289 0.000 1.211 531 G CA 0.505 45.806 45.100 0.335 0.000 0.963 531 G HN 0.680 nan 8.290 nan 0.000 0.541 532 T N -1.547 113.181 114.554 0.291 0.000 3.037 532 T HA 0.362 4.702 4.350 -0.017 0.000 0.252 532 T C 1.168 176.016 174.700 0.247 0.000 1.073 532 T CA 1.644 63.902 62.100 0.264 0.000 1.091 532 T CB -0.098 68.879 68.868 0.180 0.000 0.935 532 T HN 0.931 nan 8.240 nan 0.000 0.488 533 T N 3.328 118.003 114.554 0.202 0.000 2.779 533 T HA 0.635 4.975 4.350 -0.017 0.000 0.296 533 T C 0.351 175.034 174.700 -0.029 0.000 0.938 533 T CA -0.426 61.721 62.100 0.079 0.000 1.119 533 T CB 0.885 69.786 68.868 0.054 0.000 0.891 533 T HN 0.564 nan 8.240 nan 0.000 0.526 534 A N 3.426 126.124 122.820 -0.202 0.000 2.322 534 A HA 0.696 5.006 4.320 -0.017 0.000 0.269 534 A C -0.252 177.208 177.584 -0.206 0.000 1.094 534 A CA -0.569 51.210 52.037 -0.430 0.000 0.807 534 A CB 0.583 19.291 19.000 -0.487 0.000 1.047 534 A HN 0.689 nan 8.150 nan 0.000 0.487 535 V N 1.135 120.937 119.914 -0.188 0.000 2.733 535 V HA 0.733 4.843 4.120 -0.017 0.000 0.306 535 V C 0.082 176.138 176.094 -0.063 0.000 1.084 535 V CA 0.199 62.457 62.300 -0.069 0.000 0.905 535 V CB 1.925 33.771 31.823 0.040 0.000 1.010 535 V HN 1.416 nan 8.190 nan 0.000 0.424 536 T N 0.144 114.666 114.554 -0.054 0.000 2.671 536 T HA 0.804 5.144 4.350 -0.017 0.000 0.300 536 T C 0.650 175.325 174.700 -0.042 0.000 1.238 536 T CA 0.392 62.459 62.100 -0.055 0.000 1.020 536 T CB 1.256 70.071 68.868 -0.088 0.000 1.503 536 T HN 1.941 nan 8.240 nan 0.000 0.497 537 G N 1.292 110.059 108.800 -0.056 0.000 2.672 537 G HA2 -0.160 3.790 3.960 -0.017 0.000 0.332 537 G HA3 -0.160 3.790 3.960 -0.017 0.000 0.332 537 G C 1.386 176.273 174.900 -0.022 0.000 1.213 537 G CA 1.914 46.987 45.100 -0.045 0.000 0.980 537 G HN 1.916 nan 8.290 nan 0.000 0.548 538 A N -0.030 122.777 122.820 -0.022 0.000 1.968 538 A HA 0.448 4.758 4.320 -0.017 0.000 0.217 538 A C 2.966 180.545 177.584 -0.007 0.000 1.169 538 A CA 2.837 54.866 52.037 -0.013 0.000 0.638 538 A CB -0.891 18.098 19.000 -0.018 0.000 0.812 538 A HN 2.136 nan 8.150 nan 0.000 0.446 539 A N -0.088 122.724 122.820 -0.013 0.000 1.986 539 A HA -0.002 4.308 4.320 -0.017 0.000 0.220 539 A C 1.062 178.654 177.584 0.013 0.000 1.171 539 A CA 0.901 52.931 52.037 -0.013 0.000 0.640 539 A CB -0.533 18.452 19.000 -0.025 0.000 0.811 539 A HN 0.475 nan 8.150 nan 0.000 0.451 540 I N 1.162 121.754 120.570 0.037 0.000 2.291 540 I HA 0.065 4.225 4.170 -0.017 0.000 0.292 540 I C 1.731 177.888 176.117 0.068 0.000 1.064 540 I CA 0.204 61.552 61.300 0.080 0.000 1.269 540 I CB 1.285 39.385 38.000 0.167 0.000 1.418 540 I HN 0.359 nan 8.210 nan 0.000 0.485 541 T N 1.011 115.593 114.554 0.046 0.000 2.904 541 T HA 0.029 4.369 4.350 -0.017 0.000 0.267 541 T C 0.784 175.517 174.700 0.054 0.000 1.059 541 T CA 0.491 62.613 62.100 0.036 0.000 1.137 541 T CB 0.100 68.978 68.868 0.016 0.000 0.879 541 T HN 0.478 nan 8.240 nan 0.000 0.467 542 S N -0.410 115.333 115.700 0.072 0.000 2.595 542 S HA 0.619 5.079 4.470 -0.017 0.000 0.281 542 S C -2.071 172.632 174.600 0.171 0.000 1.117 542 S CA -0.998 57.258 58.200 0.094 0.000 0.873 542 S CB 2.124 65.349 63.200 0.042 0.000 1.108 542 S HN 0.496 nan 8.310 nan 0.000 0.477 543 W N 2.006 123.304 121.300 -0.003 0.000 3.651 543 W HA 0.399 5.049 4.660 -0.016 0.000 0.322 543 W C -1.641 174.904 176.519 0.043 0.000 1.132 543 W CA -0.322 57.026 57.345 0.005 0.000 1.277 543 W CB 0.899 30.347 29.460 -0.021 0.000 1.249 543 W HN 0.881 nan 8.180 nan 0.000 0.448 544 E N 1.930 122.191 120.200 0.102 0.000 2.433 544 E HA 0.086 4.426 4.350 -0.017 0.000 0.273 544 E C -0.111 176.587 176.600 0.164 0.000 0.950 544 E CA -0.620 55.883 56.400 0.171 0.000 0.796 544 E CB 2.213 31.959 29.700 0.077 0.000 1.330 544 E HN 0.264 nan 8.360 nan 0.000 0.455 545 D N -0.058 120.424 120.400 0.137 0.000 2.178 545 D HA -0.139 4.491 4.640 -0.017 0.000 0.201 545 D C 1.571 177.762 176.300 -0.180 0.000 0.980 545 D CA 2.129 56.172 54.000 0.071 0.000 0.842 545 D CB 0.253 41.071 40.800 0.030 0.000 0.948 545 D HN 0.485 nan 8.370 nan 0.000 0.472 546 T N -3.384 111.082 114.554 -0.146 0.000 3.037 546 T HA 0.067 4.407 4.350 -0.017 0.000 0.251 546 T C 0.691 175.278 174.700 -0.188 0.000 1.079 546 T CA -0.358 61.582 62.100 -0.267 0.000 1.067 546 T CB 0.331 69.106 68.868 -0.155 0.000 0.948 546 T HN 0.176 nan 8.240 nan 0.000 0.496 547 Q N 0.381 120.194 119.800 0.022 0.000 2.364 547 Q HA 0.471 4.801 4.340 -0.017 0.000 0.251 547 Q C -1.915 174.055 176.000 -0.049 0.000 0.927 547 Q CA -0.643 55.201 55.803 0.070 0.000 0.924 547 Q CB 1.458 30.184 28.738 -0.020 0.000 1.419 547 Q HN 0.427 nan 8.270 nan 0.000 0.427 548 I N 2.394 122.846 120.570 -0.197 0.000 2.664 548 I HA 0.500 4.660 4.170 -0.017 0.000 0.308 548 I C -0.223 175.775 176.117 -0.197 0.000 0.984 548 I CA -0.852 60.211 61.300 -0.396 0.000 1.213 548 I CB 1.667 39.160 38.000 -0.845 0.000 1.379 548 I HN 0.413 nan 8.210 nan 0.000 0.501 549 K N 3.855 124.186 120.400 -0.116 0.000 2.579 549 K HA 0.557 4.867 4.320 -0.017 0.000 0.250 549 K C -1.495 175.091 176.600 -0.023 0.000 0.952 549 K CA -0.387 55.866 56.287 -0.056 0.000 0.857 549 K CB 2.610 35.095 32.500 -0.025 0.000 1.123 549 K HN 0.364 nan 8.250 nan 0.000 0.433 550 V N 1.886 121.789 119.914 -0.018 0.000 2.960 550 V HA 0.501 4.611 4.120 -0.017 0.000 0.315 550 V C -0.819 175.285 176.094 0.016 0.000 1.087 550 V CA -0.320 61.992 62.300 0.020 0.000 0.982 550 V CB 2.408 34.264 31.823 0.054 0.000 1.039 550 V HN 0.714 nan 8.190 nan 0.000 0.437 551 T N 6.258 120.809 114.554 -0.006 0.000 2.733 551 T HA 0.485 4.825 4.350 -0.017 0.000 0.294 551 T C 0.138 174.751 174.700 -0.146 0.000 0.956 551 T CA -0.025 62.043 62.100 -0.053 0.000 0.987 551 T CB 0.198 69.034 68.868 -0.053 0.000 0.920 551 T HN 0.532 nan 8.240 nan 0.000 0.470 552 I N 7.142 127.584 120.570 -0.214 0.000 2.943 552 I HA -0.003 4.157 4.170 -0.017 0.000 0.296 552 I C -1.404 174.435 176.117 -0.463 0.000 1.220 552 I CA -1.147 59.847 61.300 -0.509 0.000 1.409 552 I CB 0.026 37.852 38.000 -0.289 0.000 1.374 552 I HN 0.331 nan 8.210 nan 0.000 0.545 553 P HA -0.005 nan 4.420 nan 0.000 0.270 553 P C -0.569 176.560 177.300 -0.285 0.000 1.223 553 P CA -0.297 62.579 63.100 -0.373 0.000 0.785 553 P CB 0.549 32.028 31.700 -0.369 0.000 0.923 554 S N 0.445 116.042 115.700 -0.172 0.000 3.483 554 S HA 0.334 4.794 4.470 -0.017 0.000 0.274 554 S C 0.346 174.892 174.600 -0.090 0.000 1.289 554 S CA -0.486 57.645 58.200 -0.114 0.000 0.938 554 S CB -0.903 62.254 63.200 -0.072 0.000 1.453 554 S HN 0.437 nan 8.310 nan 0.000 0.494 555 V N -0.016 119.835 119.914 -0.105 0.000 3.078 555 V HA 0.935 5.045 4.120 -0.017 0.000 0.311 555 V C -0.009 176.107 176.094 0.037 0.000 1.138 555 V CA -1.548 60.728 62.300 -0.040 0.000 1.007 555 V CB 1.195 32.976 31.823 -0.070 0.000 1.045 555 V HN 0.625 nan 8.190 nan 0.000 0.432 556 A N 2.756 125.645 122.820 0.116 0.000 2.602 556 A HA 0.415 4.725 4.320 -0.017 0.000 0.257 556 A C 1.055 178.782 177.584 0.239 0.000 0.973 556 A CA 0.797 52.931 52.037 0.163 0.000 0.862 556 A CB -1.036 18.070 19.000 0.176 0.000 0.855 556 A HN 2.502 nan 8.150 nan 0.000 0.492 557 A N 2.753 125.673 122.820 0.167 0.000 2.555 557 A HA 0.554 4.864 4.320 -0.017 0.000 0.233 557 A C 1.143 178.868 177.584 0.236 0.000 1.060 557 A CA 0.948 53.099 52.037 0.190 0.000 0.759 557 A CB -0.104 18.961 19.000 0.109 0.000 0.995 557 A HN 2.827 nan 8.150 nan 0.000 0.506 558 G N 0.587 109.568 108.800 0.301 0.000 2.337 558 G HA2 0.299 4.249 3.960 -0.017 0.000 0.298 558 G HA3 0.299 4.249 3.960 -0.017 0.000 0.298 558 G C -0.891 174.126 174.900 0.195 0.000 1.335 558 G CA -0.403 44.788 45.100 0.152 0.000 0.875 558 G HN 1.039 nan 8.290 nan 0.000 0.579 559 N N -0.695 117.995 118.700 -0.016 0.000 2.520 559 N HA 0.624 5.354 4.740 -0.017 0.000 0.273 559 N C -1.161 174.290 175.510 -0.099 0.000 1.155 559 N CA 0.134 53.211 53.050 0.045 0.000 0.967 559 N CB 0.333 38.817 38.487 -0.005 0.000 1.092 559 N HN 0.477 nan 8.380 nan 0.000 0.457 560 Y N 0.760 121.197 120.300 0.227 0.000 2.544 560 Y HA 0.562 5.102 4.550 -0.017 0.000 0.342 560 Y C -0.128 175.905 175.900 0.221 0.000 1.062 560 Y CA -1.129 57.113 58.100 0.237 0.000 1.023 560 Y CB 1.750 40.410 38.460 0.333 0.000 1.308 560 Y HN 0.570 nan 8.280 nan 0.000 0.457 561 A N 1.356 124.358 122.820 0.303 0.000 2.279 561 A HA 0.793 5.103 4.320 -0.017 0.000 0.303 561 A C -1.213 176.420 177.584 0.081 0.000 1.108 561 A CA -0.594 51.549 52.037 0.176 0.000 0.830 561 A CB 0.652 19.712 19.000 0.100 0.000 1.106 561 A HN 0.482 nan 8.150 nan 0.000 0.493 562 V N 2.362 122.277 119.914 0.001 0.000 2.378 562 V HA 0.366 4.476 4.120 -0.017 0.000 0.288 562 V C 0.070 176.076 176.094 -0.148 0.000 1.016 562 V CA -0.494 61.663 62.300 -0.238 0.000 0.840 562 V CB 1.060 32.657 31.823 -0.377 0.000 0.994 562 V HN 0.907 nan 8.190 nan 0.000 0.431 563 K N 2.777 123.074 120.400 -0.172 0.000 2.221 563 K HA 0.856 5.166 4.320 -0.017 0.000 0.243 563 K C -1.440 175.088 176.600 -0.121 0.000 0.968 563 K CA -0.756 55.444 56.287 -0.145 0.000 0.846 563 K CB 2.592 34.945 32.500 -0.245 0.000 1.141 563 K HN 0.410 nan 8.250 nan 0.000 0.434 564 V N 1.282 121.135 119.914 -0.102 0.000 2.709 564 V HA 0.525 4.635 4.120 -0.017 0.000 0.308 564 V C -1.198 174.924 176.094 0.047 0.000 1.062 564 V CA -0.757 61.507 62.300 -0.061 0.000 0.901 564 V CB 1.808 33.438 31.823 -0.323 0.000 1.003 564 V HN 0.888 nan 8.190 nan 0.000 0.425 565 A N 4.162 127.105 122.820 0.204 0.000 2.293 565 A HA 0.842 5.152 4.320 -0.017 0.000 0.312 565 A C 0.059 177.780 177.584 0.228 0.000 1.309 565 A CA -0.219 51.930 52.037 0.186 0.000 0.839 565 A CB 0.906 20.046 19.000 0.234 0.000 1.155 565 A HN 1.285 nan 8.150 nan 0.000 0.501 566 A N 3.150 126.097 122.820 0.212 0.000 2.366 566 A HA 0.575 4.885 4.320 -0.017 0.000 0.322 566 A C 0.786 178.432 177.584 0.102 0.000 1.397 566 A CA 0.145 52.319 52.037 0.229 0.000 0.984 566 A CB -0.876 18.306 19.000 0.303 0.000 1.149 566 A HN 2.270 nan 8.150 nan 0.000 0.540 567 S N 1.603 117.319 115.700 0.026 0.000 3.310 567 S HA -0.037 4.423 4.470 -0.017 0.000 0.381 567 S C 1.294 175.906 174.600 0.020 0.000 0.908 567 S CA 1.006 59.205 58.200 -0.001 0.000 1.333 567 S CB -1.984 61.214 63.200 -0.004 0.000 0.931 567 S HN 2.732 nan 8.310 nan 0.000 0.570 568 G N -0.702 108.112 108.800 0.024 0.000 2.187 568 G HA2 -0.197 3.753 3.960 -0.017 0.000 0.261 568 G HA3 -0.197 3.753 3.960 -0.017 0.000 0.261 568 G C 0.121 175.039 174.900 0.030 0.000 1.000 568 G CA 0.075 45.192 45.100 0.028 0.000 0.718 568 G HN 1.829 nan 8.290 nan 0.000 0.519 569 V N 0.709 120.648 119.914 0.042 0.000 2.407 569 V HA 0.443 4.553 4.120 -0.017 0.000 0.291 569 V C -0.219 175.892 176.094 0.029 0.000 1.018 569 V CA -1.508 60.813 62.300 0.034 0.000 0.842 569 V CB 1.625 33.476 31.823 0.047 0.000 0.996 569 V HN 0.252 nan 8.190 nan 0.000 0.426 570 N N 2.774 121.468 118.700 -0.010 0.000 2.514 570 N HA 0.425 5.155 4.740 -0.017 0.000 0.277 570 N C 0.287 175.779 175.510 -0.030 0.000 1.126 570 N CA -0.091 52.928 53.050 -0.053 0.000 0.978 570 N CB 1.700 40.121 38.487 -0.110 0.000 1.106 570 N HN 0.863 nan 8.380 nan 0.000 0.461 571 S N 0.975 116.659 115.700 -0.028 0.000 2.719 571 S HA 0.389 4.849 4.470 -0.017 0.000 0.285 571 S C 0.221 174.811 174.600 -0.017 0.000 1.137 571 S CA -0.990 57.210 58.200 0.000 0.000 1.012 571 S CB 0.664 63.894 63.200 0.050 0.000 1.134 571 S HN 0.617 nan 8.310 nan 0.000 0.544 572 N N 0.595 119.299 118.700 0.005 0.000 2.415 572 N HA 0.282 5.012 4.740 -0.017 0.000 0.248 572 N C -0.345 175.184 175.510 0.031 0.000 1.271 572 N CA -0.230 52.827 53.050 0.013 0.000 0.913 572 N CB 0.369 38.873 38.487 0.027 0.000 1.129 572 N HN 0.883 nan 8.380 nan 0.000 0.444 573 A N 0.718 123.553 122.820 0.026 0.000 2.310 573 A HA 0.331 4.641 4.320 -0.017 0.000 0.299 573 A C -1.274 176.365 177.584 0.092 0.000 1.147 573 A CA -0.641 51.420 52.037 0.040 0.000 0.818 573 A CB 0.166 19.172 19.000 0.011 0.000 1.096 573 A HN 0.728 nan 8.150 nan 0.000 0.495 574 Y N 3.496 123.793 120.300 -0.005 0.000 2.593 574 Y HA 0.199 4.739 4.550 -0.017 0.000 0.331 574 Y C 0.390 176.326 175.900 0.061 0.000 0.986 574 Y CA -0.557 57.560 58.100 0.029 0.000 1.262 574 Y CB 0.394 38.858 38.460 0.006 0.000 1.098 574 Y HN 0.749 nan 8.280 nan 0.000 0.506 575 N N 3.527 122.208 118.700 -0.032 0.000 2.381 575 N HA 0.067 4.797 4.740 -0.017 0.000 0.254 575 N C -0.623 174.940 175.510 0.089 0.000 1.264 575 N CA -0.066 53.011 53.050 0.045 0.000 0.942 575 N CB 0.332 38.820 38.487 0.001 0.000 1.190 575 N HN 0.699 nan 8.380 nan 0.000 0.495 576 N N -0.744 118.034 118.700 0.130 0.000 2.753 576 N HA -0.219 4.511 4.740 -0.017 0.000 0.252 576 N C -1.610 174.015 175.510 0.191 0.000 1.071 576 N CA 0.163 53.291 53.050 0.130 0.000 0.690 576 N CB -1.410 37.116 38.487 0.065 0.000 0.906 576 N HN 0.417 nan 8.380 nan 0.000 0.552 577 F N 1.290 121.351 119.950 0.184 0.000 2.361 577 F HA 0.358 4.875 4.527 -0.016 0.000 0.364 577 F C 0.317 176.270 175.800 0.255 0.000 1.117 577 F CA -0.336 57.798 58.000 0.224 0.000 1.071 577 F CB 0.940 40.095 39.000 0.258 0.000 1.188 577 F HN -0.049 nan 8.300 nan 0.000 0.464 578 T N 7.624 122.027 114.554 -0.251 0.000 2.749 578 T HA 0.440 4.780 4.350 -0.017 0.000 0.295 578 T C 0.089 174.781 174.700 -0.013 0.000 0.936 578 T CA -0.139 61.934 62.100 -0.045 0.000 1.060 578 T CB 0.373 69.196 68.868 -0.076 0.000 0.904 578 T HN 0.377 nan 8.240 nan 0.000 0.500 579 I N 4.362 125.069 120.570 0.228 0.000 2.339 579 I HA 0.341 4.501 4.170 -0.017 0.000 0.290 579 I C -0.195 176.001 176.117 0.131 0.000 0.994 579 I CA -0.761 60.662 61.300 0.205 0.000 1.191 579 I CB 1.268 39.397 38.000 0.215 0.000 1.343 579 I HN 0.367 nan 8.210 nan 0.000 0.458 580 L N 5.380 126.649 121.223 0.077 0.000 2.399 580 L HA 0.285 4.615 4.340 -0.017 0.000 0.266 580 L C 1.532 178.434 176.870 0.053 0.000 1.114 580 L CA -0.236 54.638 54.840 0.057 0.000 0.804 580 L CB 1.106 43.188 42.059 0.037 0.000 1.146 580 L HN 0.575 nan 8.230 nan 0.000 0.451 581 T N 0.751 115.336 114.554 0.051 0.000 2.946 581 T HA 0.093 4.433 4.350 -0.017 0.000 0.271 581 T C 0.691 175.411 174.700 0.034 0.000 1.104 581 T CA 1.011 63.139 62.100 0.046 0.000 1.114 581 T CB -0.157 68.740 68.868 0.048 0.000 0.867 581 T HN 0.944 nan 8.240 nan 0.000 0.513 582 G N 0.365 109.184 108.800 0.031 0.000 2.339 582 G HA2 0.151 4.101 3.960 -0.017 0.000 0.275 582 G HA3 0.151 4.101 3.960 -0.017 0.000 0.275 582 G C -2.102 172.814 174.900 0.026 0.000 1.323 582 G CA -0.996 44.120 45.100 0.025 0.000 0.927 582 G HN 0.049 nan 8.290 nan 0.000 0.486 583 D N 1.516 121.931 120.400 0.025 0.000 2.648 583 D HA 0.247 4.877 4.640 -0.017 0.000 0.229 583 D C 0.526 176.844 176.300 0.031 0.000 1.119 583 D CA 0.818 54.833 54.000 0.026 0.000 0.850 583 D CB 0.538 41.355 40.800 0.029 0.000 1.169 583 D HN 0.354 nan 8.370 nan 0.000 0.489 584 Q N 0.590 120.406 119.800 0.026 0.000 2.215 584 Q HA 0.635 4.965 4.340 -0.017 0.000 0.256 584 Q C -0.185 175.848 176.000 0.055 0.000 0.972 584 Q CA -0.972 54.852 55.803 0.036 0.000 0.889 584 Q CB 2.214 30.960 28.738 0.013 0.000 1.281 584 Q HN 0.339 nan 8.270 nan 0.000 0.456 585 V N -2.222 117.741 119.914 0.082 0.000 2.925 585 V HA 0.629 4.739 4.120 -0.017 0.000 0.311 585 V C -0.225 175.957 176.094 0.146 0.000 1.104 585 V CA -0.903 61.467 62.300 0.117 0.000 0.954 585 V CB 1.799 33.690 31.823 0.113 0.000 1.022 585 V HN 0.674 nan 8.190 nan 0.000 0.427 586 T N 2.519 117.192 114.554 0.199 0.000 2.909 586 T HA 0.701 5.041 4.350 -0.017 0.000 0.289 586 T C -0.396 174.422 174.700 0.196 0.000 1.005 586 T CA -0.292 61.947 62.100 0.233 0.000 1.084 586 T CB 1.461 70.549 68.868 0.366 0.000 0.975 586 T HN 0.800 nan 8.240 nan 0.000 0.509 587 V N 2.847 122.864 119.914 0.172 0.000 2.668 587 V HA 0.446 4.556 4.120 -0.017 0.000 0.304 587 V C -0.204 175.877 176.094 -0.022 0.000 1.071 587 V CA -1.020 61.297 62.300 0.029 0.000 0.894 587 V CB 2.058 33.830 31.823 -0.085 0.000 1.008 587 V HN 0.767 nan 8.190 nan 0.000 0.425 588 R N 3.863 124.320 120.500 -0.072 0.000 2.196 588 R HA 0.502 4.832 4.340 -0.017 0.000 0.340 588 R C -1.422 174.794 176.300 -0.140 0.000 1.043 588 R CA -0.320 55.803 56.100 0.039 0.000 0.883 588 R CB 0.374 30.750 30.300 0.128 0.000 1.078 588 R HN 0.507 nan 8.270 nan 0.000 0.462 589 F N 4.191 124.203 119.950 0.104 0.000 2.411 589 F HA 0.304 4.821 4.527 -0.017 0.000 0.350 589 F C 0.014 175.942 175.800 0.213 0.000 1.114 589 F CA -0.426 57.626 58.000 0.087 0.000 1.135 589 F CB 1.561 40.590 39.000 0.047 0.000 1.120 589 F HN 0.100 nan 8.300 nan 0.000 0.495 590 V N 4.391 124.456 119.914 0.252 0.000 2.680 590 V HA 0.632 4.742 4.120 -0.017 0.000 0.309 590 V C -0.889 175.236 176.094 0.053 0.000 1.052 590 V CA -0.961 61.404 62.300 0.107 0.000 0.908 590 V CB 2.085 33.802 31.823 -0.175 0.000 1.001 590 V HN 0.505 nan 8.190 nan 0.000 0.431 591 V N 4.450 124.329 119.914 -0.058 0.000 2.577 591 V HA 0.585 4.695 4.120 -0.017 0.000 0.303 591 V C -0.691 175.368 176.094 -0.057 0.000 1.042 591 V CA -0.469 61.723 62.300 -0.179 0.000 0.872 591 V CB 1.992 33.379 31.823 -0.728 0.000 0.998 591 V HN 0.943 nan 8.190 nan 0.000 0.423 592 N N 5.110 123.798 118.700 -0.020 0.000 2.515 592 N HA 0.314 5.044 4.740 -0.017 0.000 0.279 592 N C -0.044 175.485 175.510 0.031 0.000 1.164 592 N CA 0.063 53.114 53.050 0.002 0.000 0.982 592 N CB 0.616 39.101 38.487 -0.003 0.000 1.170 592 N HN 0.892 nan 8.380 nan 0.000 0.474 593 N N -0.860 117.830 118.700 -0.016 0.000 2.691 593 N HA -0.235 4.495 4.740 -0.017 0.000 0.277 593 N C -0.959 174.512 175.510 -0.066 0.000 1.029 593 N CA 0.225 53.242 53.050 -0.055 0.000 0.798 593 N CB -1.110 37.362 38.487 -0.026 0.000 0.922 593 N HN 0.499 nan 8.380 nan 0.000 0.562 594 A N 0.706 123.462 122.820 -0.106 0.000 2.838 594 A HA 0.446 4.756 4.320 -0.017 0.000 0.337 594 A C 0.373 177.826 177.584 -0.218 0.000 1.383 594 A CA -0.532 51.310 52.037 -0.326 0.000 0.985 594 A CB 0.565 19.347 19.000 -0.362 0.000 1.157 594 A HN 0.391 nan 8.150 nan 0.000 0.497 595 S N 1.142 116.687 115.700 -0.259 0.000 2.585 595 S HA 0.599 5.059 4.470 -0.017 0.000 0.273 595 S C 0.650 175.232 174.600 -0.030 0.000 1.339 595 S CA 0.301 58.465 58.200 -0.060 0.000 1.028 595 S CB 0.870 64.038 63.200 -0.053 0.000 0.906 595 S HN 1.035 nan 8.310 nan 0.000 0.528 596 T N -1.477 113.208 114.554 0.218 0.000 2.868 596 T HA 0.567 4.907 4.350 -0.017 0.000 0.306 596 T C -0.203 174.565 174.700 0.113 0.000 1.224 596 T CA -0.798 61.361 62.100 0.099 0.000 1.012 596 T CB 1.536 70.495 68.868 0.152 0.000 1.221 596 T HN 0.440 nan 8.240 nan 0.000 0.499 597 T N 0.570 115.155 114.554 0.051 0.000 2.814 597 T HA 0.518 4.858 4.350 -0.017 0.000 0.284 597 T C -0.108 174.609 174.700 0.028 0.000 0.998 597 T CA -0.775 61.349 62.100 0.040 0.000 0.935 597 T CB 0.308 69.194 68.868 0.030 0.000 1.167 597 T HN 0.757 nan 8.240 nan 0.000 0.545 598 L N 1.869 123.100 121.223 0.013 0.000 2.534 598 L HA 0.433 4.763 4.340 -0.017 0.000 0.271 598 L C 1.330 178.212 176.870 0.019 0.000 1.178 598 L CA 1.666 56.508 54.840 0.004 0.000 0.907 598 L CB -0.335 41.724 42.059 0.001 0.000 1.164 598 L HN 0.954 nan 8.230 nan 0.000 0.482 599 G N 2.844 111.659 108.800 0.025 0.000 2.184 599 G HA2 -0.339 3.612 3.960 -0.017 0.000 0.264 599 G HA3 -0.339 3.612 3.960 -0.017 0.000 0.264 599 G C 0.323 175.257 174.900 0.055 0.000 0.975 599 G CA 0.486 45.610 45.100 0.040 0.000 0.642 599 G HN 0.851 nan 8.290 nan 0.000 0.536 600 Q N 0.254 120.086 119.800 0.054 0.000 2.274 600 Q HA 0.574 4.904 4.340 -0.017 0.000 0.256 600 Q C -0.088 175.938 176.000 0.043 0.000 0.927 600 Q CA -0.470 55.360 55.803 0.045 0.000 0.939 600 Q CB 0.307 29.058 28.738 0.023 0.000 1.201 600 Q HN 0.487 nan 8.270 nan 0.000 0.426 601 N N 2.607 121.314 118.700 0.012 0.000 2.319 601 N HA 0.420 5.150 4.740 -0.017 0.000 0.305 601 N C -1.574 173.694 175.510 -0.403 0.000 1.103 601 N CA -0.662 52.314 53.050 -0.123 0.000 0.815 601 N CB 1.087 39.542 38.487 -0.055 0.000 1.288 601 N HN 0.418 nan 8.380 nan 0.000 0.493 602 L N 2.328 123.002 121.223 -0.914 0.000 2.399 602 L HA 0.483 4.813 4.340 -0.017 0.000 0.266 602 L C -1.197 175.114 176.870 -0.932 0.000 1.114 602 L CA 0.161 54.439 54.840 -0.938 0.000 0.804 602 L CB 0.382 41.576 42.059 -1.441 0.000 1.146 602 L HN 0.553 nan 8.230 nan 0.000 0.451 603 Y N 2.355 122.239 120.300 -0.692 0.000 2.677 603 Y HA 0.690 5.231 4.550 -0.016 0.000 0.334 603 Y C -1.090 174.351 175.900 -0.765 0.000 1.154 603 Y CA -0.934 56.664 58.100 -0.837 0.000 1.070 603 Y CB 1.829 39.497 38.460 -1.319 0.000 1.294 603 Y HN 0.396 nan 8.280 nan 0.000 0.475 604 L N 0.759 121.706 121.223 -0.460 0.000 2.455 604 L HA 0.852 5.182 4.340 -0.017 0.000 0.264 604 L C -1.015 175.702 176.870 -0.256 0.000 0.968 604 L CA -0.044 54.493 54.840 -0.505 0.000 0.827 604 L CB 2.373 43.997 42.059 -0.725 0.000 1.317 604 L HN 0.655 nan 8.230 nan 0.000 0.407 605 T N 2.410 116.874 114.554 -0.151 0.000 2.932 605 T HA 0.876 5.216 4.350 -0.017 0.000 0.318 605 T C -0.658 173.808 174.700 -0.391 0.000 1.265 605 T CA 0.181 62.194 62.100 -0.145 0.000 1.036 605 T CB 1.363 70.301 68.868 0.116 0.000 1.209 605 T HN 1.076 nan 8.240 nan 0.000 0.484 606 G N 1.699 110.092 108.800 -0.678 0.000 3.021 606 G HA2 0.413 4.363 3.960 -0.017 0.000 0.290 606 G HA3 0.413 4.363 3.960 -0.017 0.000 0.290 606 G C -0.329 173.844 174.900 -1.210 0.000 1.291 606 G CA -0.532 44.023 45.100 -0.909 0.000 0.834 606 G HN 0.755 nan 8.290 nan 0.000 0.564 607 N N -0.329 118.097 118.700 -0.457 0.000 2.455 607 N HA 0.201 4.931 4.740 -0.017 0.000 0.258 607 N C -0.104 175.388 175.510 -0.030 0.000 1.158 607 N CA 0.140 53.124 53.050 -0.108 0.000 0.893 607 N CB 0.460 39.173 38.487 0.376 0.000 1.173 607 N HN 0.948 nan 8.380 nan 0.000 0.503 608 V N -5.287 114.560 119.914 -0.111 0.000 3.120 608 V HA 0.755 4.865 4.120 -0.017 0.000 0.303 608 V C 1.005 177.064 176.094 -0.058 0.000 1.238 608 V CA -0.584 61.697 62.300 -0.031 0.000 1.008 608 V CB 1.038 32.867 31.823 0.011 0.000 1.064 608 V HN -0.030 nan 8.190 nan 0.000 0.434 609 A N 0.730 123.544 122.820 -0.011 0.000 1.948 609 A HA -0.134 4.176 4.320 -0.017 0.000 0.220 609 A C 1.639 179.211 177.584 -0.021 0.000 1.177 609 A CA 2.403 54.435 52.037 -0.009 0.000 0.636 609 A CB -0.839 18.180 19.000 0.033 0.000 0.815 609 A HN 1.123 nan 8.150 nan 0.000 0.449 610 E N -0.327 119.868 120.200 -0.009 0.000 2.219 610 E HA -0.129 4.211 4.350 -0.017 0.000 0.198 610 E C 1.560 178.133 176.600 -0.044 0.000 0.998 610 E CA 1.080 57.475 56.400 -0.009 0.000 0.818 610 E CB -0.224 29.486 29.700 0.018 0.000 0.741 610 E HN 0.679 nan 8.360 nan 0.000 0.477 611 L N -2.086 119.081 121.223 -0.093 0.000 2.616 611 L HA 0.291 4.621 4.340 -0.017 0.000 0.229 611 L C 1.368 178.139 176.870 -0.164 0.000 1.110 611 L CA 0.361 55.101 54.840 -0.167 0.000 0.884 611 L CB 0.438 42.346 42.059 -0.252 0.000 1.115 611 L HN 0.349 nan 8.230 nan 0.000 0.481 612 G N -0.551 108.176 108.800 -0.122 0.000 2.218 612 G HA2 -0.260 3.690 3.960 -0.017 0.000 0.216 612 G HA3 -0.260 3.690 3.960 -0.017 0.000 0.216 612 G C 0.289 175.128 174.900 -0.102 0.000 0.994 612 G CA -0.142 44.902 45.100 -0.092 0.000 0.637 612 G HN 0.241 nan 8.290 nan 0.000 0.505 613 N N -0.732 117.848 118.700 -0.199 0.000 2.648 613 N HA -0.177 4.553 4.740 -0.017 0.000 0.265 613 N C 0.681 176.139 175.510 -0.087 0.000 1.100 613 N CA 1.591 54.524 53.050 -0.195 0.000 0.715 613 N CB -1.670 36.797 38.487 -0.034 0.000 0.881 613 N HN 1.185 nan 8.380 nan 0.000 0.548 614 W N -2.260 119.100 121.300 0.100 0.000 4.650 614 W HA -0.295 4.356 4.660 -0.016 0.000 0.335 614 W C 0.889 177.494 176.519 0.143 0.000 1.222 614 W CA 0.829 58.258 57.345 0.140 0.000 0.807 614 W CB -1.802 27.686 29.460 0.047 0.000 2.290 614 W HN 0.387 nan 8.180 nan 0.000 1.514 615 S N 0.168 115.955 115.700 0.146 0.000 2.610 615 S HA 0.542 5.002 4.470 -0.017 0.000 0.273 615 S C 1.104 175.707 174.600 0.006 0.000 1.274 615 S CA 0.259 58.505 58.200 0.077 0.000 1.023 615 S CB 1.167 64.379 63.200 0.019 0.000 0.962 615 S HN 0.271 nan 8.310 nan 0.000 0.523 616 T N 0.855 115.347 114.554 -0.103 0.000 3.145 616 T HA 0.420 4.760 4.350 -0.017 0.000 0.281 616 T C 0.865 175.469 174.700 -0.159 0.000 1.003 616 T CA 0.062 61.986 62.100 -0.293 0.000 0.901 616 T CB 0.100 68.588 68.868 -0.633 0.000 1.112 616 T HN 0.571 nan 8.240 nan 0.000 0.535 617 G N 1.608 110.355 108.800 -0.089 0.000 3.286 617 G HA2 0.366 4.316 3.960 -0.017 0.000 0.173 617 G HA3 0.366 4.316 3.960 -0.017 0.000 0.173 617 G C 0.977 175.831 174.900 -0.077 0.000 1.704 617 G CA 0.106 45.157 45.100 -0.083 0.000 1.041 617 G HN 0.319 nan 8.290 nan 0.000 0.561 618 S N -0.058 115.614 115.700 -0.047 0.000 2.524 618 S HA 0.004 4.464 4.470 -0.017 0.000 0.216 618 S C 2.249 176.838 174.600 -0.018 0.000 0.987 618 S CA 1.182 59.363 58.200 -0.031 0.000 0.909 618 S CB 0.097 63.284 63.200 -0.021 0.000 0.781 618 S HN 0.675 nan 8.310 nan 0.000 0.521 619 T N 0.704 115.246 114.554 -0.020 0.000 3.113 619 T HA 0.409 4.749 4.350 -0.017 0.000 0.256 619 T C 0.854 175.542 174.700 -0.019 0.000 1.131 619 T CA 0.368 62.457 62.100 -0.018 0.000 1.074 619 T CB -0.215 68.641 68.868 -0.020 0.000 0.944 619 T HN 0.332 nan 8.240 nan 0.000 0.516 620 A N 1.676 124.491 122.820 -0.008 0.000 2.327 620 A HA 0.576 4.886 4.320 -0.017 0.000 0.255 620 A C 0.209 177.794 177.584 0.003 0.000 1.099 620 A CA -0.538 51.510 52.037 0.018 0.000 0.801 620 A CB 0.071 19.128 19.000 0.096 0.000 1.062 620 A HN 0.379 nan 8.150 nan 0.000 0.496 621 I N 1.255 121.803 120.570 -0.038 0.000 2.328 621 I HA 0.606 4.766 4.170 -0.017 0.000 0.287 621 I C 0.720 176.690 176.117 -0.246 0.000 1.012 621 I CA 0.792 62.011 61.300 -0.134 0.000 1.195 621 I CB -0.123 37.757 38.000 -0.201 0.000 1.350 621 I HN 0.962 nan 8.210 nan 0.000 0.464 622 G N 7.970 116.556 108.800 -0.356 0.000 2.343 622 G HA2 0.323 4.273 3.960 -0.017 0.000 0.289 622 G HA3 0.323 4.273 3.960 -0.017 0.000 0.289 622 G C -3.360 171.269 174.900 -0.451 0.000 1.295 622 G CA -0.666 44.001 45.100 -0.722 0.000 0.869 622 G HN 0.297 nan 8.290 nan 0.000 0.522 623 P HA 0.548 nan 4.420 nan 0.000 0.273 623 P C 0.360 177.167 177.300 -0.823 0.000 1.250 623 P CA 0.382 62.867 63.100 -1.024 0.000 0.793 623 P CB 0.712 32.094 31.700 -0.529 0.000 1.011 624 A N 0.491 122.963 122.820 -0.579 0.000 2.250 624 A HA 0.560 4.870 4.320 -0.017 0.000 0.283 624 A C -0.592 176.974 177.584 -0.030 0.000 1.206 624 A CA -0.023 51.820 52.037 -0.323 0.000 0.840 624 A CB -0.257 18.782 19.000 0.064 0.000 1.220 624 A HN 0.376 nan 8.150 nan 0.000 0.505 625 F N 0.022 120.010 119.950 0.063 0.000 2.480 625 F HA 0.422 4.940 4.527 -0.015 0.000 0.329 625 F C 0.583 176.309 175.800 -0.124 0.000 1.091 625 F CA -1.078 56.813 58.000 -0.183 0.000 0.972 625 F CB 1.681 40.267 39.000 -0.690 0.000 1.150 625 F HN 0.602 nan 8.300 nan 0.000 0.467 626 N N -0.060 118.669 118.700 0.048 0.000 2.390 626 N HA 0.142 4.872 4.740 -0.017 0.000 0.259 626 N C -0.159 175.333 175.510 -0.031 0.000 1.395 626 N CA -0.166 52.781 53.050 -0.172 0.000 0.852 626 N CB 0.241 38.124 38.487 -1.006 0.000 1.371 626 N HN 0.638 nan 8.380 nan 0.000 0.491 627 Q N -0.459 119.401 119.800 0.100 0.000 2.579 627 Q HA 0.285 4.615 4.340 -0.017 0.000 0.198 627 Q C 1.146 177.133 176.000 -0.022 0.000 0.769 627 Q CA 0.277 56.086 55.803 0.011 0.000 0.861 627 Q CB 0.413 29.139 28.738 -0.022 0.000 1.227 627 Q HN 0.070 nan 8.270 nan 0.000 0.615 628 V N 1.682 121.582 119.914 -0.024 0.000 2.227 628 V HA -0.224 3.886 4.120 -0.017 0.000 0.238 628 V C 2.232 178.149 176.094 -0.295 0.000 1.039 628 V CA 1.793 64.020 62.300 -0.122 0.000 0.990 628 V CB -0.587 31.185 31.823 -0.084 0.000 0.635 628 V HN 0.313 nan 8.190 nan 0.000 0.453 629 I N -1.319 118.928 120.570 -0.538 0.000 2.226 629 I HA -0.118 4.042 4.170 -0.017 0.000 0.245 629 I C 0.932 176.413 176.117 -1.060 0.000 1.100 629 I CA 1.231 62.005 61.300 -0.878 0.000 1.374 629 I CB -0.216 37.102 38.000 -1.136 0.000 1.057 629 I HN 0.411 nan 8.210 nan 0.000 0.413 630 H N 0.227 118.827 119.070 -0.783 0.000 2.768 630 H HA 0.499 5.045 4.556 -0.016 0.000 0.371 630 H C -0.873 174.360 175.328 -0.158 0.000 1.151 630 H CA -0.700 55.102 56.048 -0.409 0.000 1.165 630 H CB 1.742 31.270 29.762 -0.389 0.000 1.722 630 H HN -0.009 nan 8.280 nan 0.000 0.543 631 Q N 0.753 120.554 119.800 0.002 0.000 2.257 631 Q HA 0.207 4.537 4.340 -0.017 0.000 0.262 631 Q C -0.738 175.236 176.000 -0.043 0.000 0.997 631 Q CA -0.902 54.890 55.803 -0.017 0.000 0.873 631 Q CB 1.547 30.267 28.738 -0.029 0.000 1.312 631 Q HN 0.496 nan 8.270 nan 0.000 0.450 632 Y N 3.858 124.021 120.300 -0.228 0.000 2.597 632 Y HA 0.079 4.619 4.550 -0.017 0.000 0.336 632 Y C -1.171 174.653 175.900 -0.127 0.000 1.216 632 Y CA -1.124 56.793 58.100 -0.305 0.000 1.463 632 Y CB 0.679 38.909 38.460 -0.383 0.000 1.303 632 Y HN 0.602 nan 8.280 nan 0.000 0.576 633 P HA -0.053 nan 4.420 nan 0.000 0.239 633 P C -0.303 176.873 177.300 -0.208 0.000 1.184 633 P CA 0.545 63.094 63.100 -0.919 0.000 0.760 633 P CB -0.032 31.237 31.700 -0.719 0.000 0.884 634 T N 1.398 115.871 114.554 -0.136 0.000 2.761 634 T HA 0.205 4.545 4.350 -0.017 0.000 0.296 634 T C -0.357 174.403 174.700 0.100 0.000 0.934 634 T CA 0.061 62.179 62.100 0.029 0.000 1.091 634 T CB 0.252 69.117 68.868 -0.005 0.000 0.896 634 T HN 0.030 nan 8.240 nan 0.000 0.515 635 W N 2.927 124.245 121.300 0.029 0.000 2.671 635 W HA 0.674 5.325 4.660 -0.015 0.000 0.360 635 W C -0.544 176.138 176.519 0.273 0.000 1.128 635 W CA -0.811 56.625 57.345 0.152 0.000 1.184 635 W CB 0.776 30.229 29.460 -0.012 0.000 1.415 635 W HN 0.700 nan 8.180 nan 0.000 0.604 636 Y N -1.031 119.505 120.300 0.393 0.000 2.662 636 Y HA 0.655 5.195 4.550 -0.017 0.000 0.334 636 Y C -2.255 173.924 175.900 0.464 0.000 1.185 636 Y CA -2.497 55.813 58.100 0.351 0.000 1.074 636 Y CB 0.829 39.455 38.460 0.276 0.000 1.330 636 Y HN 0.500 nan 8.280 nan 0.000 0.458 637 Y N 0.984 121.395 120.300 0.186 0.000 2.521 637 Y HA 0.449 4.989 4.550 -0.017 0.000 0.328 637 Y C -1.815 174.251 175.900 0.278 0.000 1.151 637 Y CA -1.261 56.877 58.100 0.062 0.000 1.054 637 Y CB 1.830 40.233 38.460 -0.094 0.000 1.338 637 Y HN 0.798 nan 8.280 nan 0.000 0.453 638 D N 3.807 124.182 120.400 -0.042 0.000 2.232 638 D HA 0.584 5.214 4.640 -0.017 0.000 0.242 638 D C -0.916 175.460 176.300 0.127 0.000 1.093 638 D CA 0.144 54.227 54.000 0.138 0.000 0.845 638 D CB 1.825 42.742 40.800 0.196 0.000 1.124 638 D HN 0.238 nan 8.370 nan 0.000 0.467 639 V N 0.796 120.881 119.914 0.284 0.000 2.876 639 V HA 0.406 4.516 4.120 -0.017 0.000 0.312 639 V C 0.018 176.251 176.094 0.231 0.000 1.085 639 V CA -0.992 61.474 62.300 0.276 0.000 0.945 639 V CB 2.222 34.247 31.823 0.336 0.000 1.017 639 V HN 0.476 nan 8.190 nan 0.000 0.428 640 S N 2.366 118.158 115.700 0.153 0.000 2.404 640 S HA 0.636 5.096 4.470 -0.017 0.000 0.309 640 S C -0.651 174.013 174.600 0.108 0.000 1.076 640 S CA -0.294 57.972 58.200 0.111 0.000 1.095 640 S CB 0.421 63.647 63.200 0.043 0.000 0.972 640 S HN 0.514 nan 8.310 nan 0.000 0.484 641 V N 6.978 126.974 119.914 0.138 0.000 2.881 641 V HA 0.556 4.666 4.120 -0.017 0.000 0.316 641 V C -2.222 173.932 176.094 0.100 0.000 1.070 641 V CA -2.241 60.139 62.300 0.133 0.000 0.976 641 V CB 2.056 34.010 31.823 0.218 0.000 1.038 641 V HN 0.653 nan 8.190 nan 0.000 0.446 642 P HA 0.220 nan 4.420 nan 0.000 0.269 642 P C -0.964 176.374 177.300 0.063 0.000 1.209 642 P CA 0.088 63.227 63.100 0.064 0.000 0.776 642 P CB 0.481 32.216 31.700 0.059 0.000 0.876 643 A N 2.679 125.528 122.820 0.049 0.000 2.327 643 A HA 0.557 4.867 4.320 -0.017 0.000 0.283 643 A C 0.984 178.582 177.584 0.023 0.000 1.127 643 A CA 0.137 52.198 52.037 0.040 0.000 0.810 643 A CB -0.673 18.352 19.000 0.041 0.000 1.066 643 A HN 0.813 nan 8.150 nan 0.000 0.492 644 G N 0.630 109.432 108.800 0.003 0.000 2.351 644 G HA2 -0.123 3.827 3.960 -0.017 0.000 0.297 644 G HA3 -0.123 3.827 3.960 -0.017 0.000 0.297 644 G C -0.248 174.649 174.900 -0.005 0.000 1.054 644 G CA 0.905 45.998 45.100 -0.011 0.000 1.123 644 G HN 1.016 nan 8.290 nan 0.000 0.512 645 K N -0.497 119.898 120.400 -0.009 0.000 2.513 645 K HA 0.577 4.887 4.320 -0.017 0.000 0.251 645 K C -0.022 176.593 176.600 0.025 0.000 0.939 645 K CA -0.896 55.402 56.287 0.020 0.000 0.793 645 K CB 1.335 33.863 32.500 0.047 0.000 1.241 645 K HN 0.303 nan 8.250 nan 0.000 0.431 646 Q N 3.900 123.726 119.800 0.043 0.000 2.289 646 Q HA 0.336 4.666 4.340 -0.017 0.000 0.273 646 Q C -1.212 174.876 176.000 0.146 0.000 1.029 646 Q CA 0.513 56.361 55.803 0.075 0.000 0.896 646 Q CB 0.380 29.160 28.738 0.070 0.000 1.182 646 Q HN 0.586 nan 8.270 nan 0.000 0.385 647 L N 3.073 124.437 121.223 0.234 0.000 2.354 647 L HA 0.631 4.961 4.340 -0.017 0.000 0.264 647 L C -0.296 176.825 176.870 0.418 0.000 1.008 647 L CA -0.939 54.101 54.840 0.333 0.000 0.819 647 L CB 2.401 44.718 42.059 0.431 0.000 1.339 647 L HN 0.683 nan 8.230 nan 0.000 0.420 648 E N 1.498 121.952 120.200 0.424 0.000 2.288 648 E HA 0.741 5.081 4.350 -0.017 0.000 0.268 648 E C -1.715 175.205 176.600 0.532 0.000 0.885 648 E CA -0.578 56.066 56.400 0.406 0.000 0.767 648 E CB 3.010 32.970 29.700 0.435 0.000 1.220 648 E HN 0.407 nan 8.360 nan 0.000 0.427 649 F N -0.912 119.263 119.950 0.375 0.000 2.769 649 F HA 0.554 5.071 4.527 -0.016 0.000 0.313 649 F C -1.581 174.440 175.800 0.369 0.000 1.146 649 F CA -1.100 57.043 58.000 0.239 0.000 0.934 649 F CB 1.072 40.042 39.000 -0.049 0.000 1.283 649 F HN 0.135 nan 8.300 nan 0.000 0.443 650 K N 1.199 121.947 120.400 0.579 0.000 2.480 650 K HA 0.679 4.989 4.320 -0.017 0.000 0.258 650 K C -1.948 174.870 176.600 0.364 0.000 0.990 650 K CA -0.866 55.749 56.287 0.546 0.000 0.857 650 K CB 2.855 35.778 32.500 0.704 0.000 1.384 650 K HN 0.575 nan 8.250 nan 0.000 0.446 651 F N 1.117 121.306 119.950 0.398 0.000 2.497 651 F HA 0.578 5.095 4.527 -0.017 0.000 0.331 651 F C -0.215 175.775 175.800 0.317 0.000 1.060 651 F CA -0.424 57.727 58.000 0.253 0.000 0.989 651 F CB 1.120 40.325 39.000 0.341 0.000 1.245 651 F HN 0.419 nan 8.300 nan 0.000 0.486 652 F N -1.076 119.067 119.950 0.322 0.000 2.665 652 F HA 0.606 5.124 4.527 -0.016 0.000 0.308 652 F C -1.841 174.011 175.800 0.087 0.000 1.112 652 F CA -1.613 56.455 58.000 0.113 0.000 0.972 652 F CB 1.089 39.731 39.000 -0.597 0.000 1.295 652 F HN 0.240 nan 8.300 nan 0.000 0.440 653 K N 2.044 122.581 120.400 0.229 0.000 2.130 653 K HA 0.462 4.772 4.320 -0.017 0.000 0.268 653 K C -0.962 175.742 176.600 0.172 0.000 0.983 653 K CA -1.015 55.298 56.287 0.044 0.000 0.893 653 K CB 1.998 34.460 32.500 -0.062 0.000 1.066 653 K HN 0.691 nan 8.250 nan 0.000 0.450 654 K N 3.819 124.320 120.400 0.168 0.000 2.687 654 K HA 0.049 4.359 4.320 -0.017 0.000 0.197 654 K C 0.093 176.760 176.600 0.112 0.000 1.049 654 K CA -0.244 56.132 56.287 0.149 0.000 1.030 654 K CB 0.287 32.860 32.500 0.121 0.000 1.261 654 K HN 0.749 nan 8.250 nan 0.000 0.565 655 N N 1.993 120.736 118.700 0.072 0.000 2.143 655 N HA -0.079 4.651 4.740 -0.017 0.000 0.190 655 N C 1.008 176.548 175.510 0.050 0.000 1.058 655 N CA 1.069 54.154 53.050 0.059 0.000 0.860 655 N CB -0.472 38.042 38.487 0.044 0.000 1.044 655 N HN 0.381 nan 8.380 nan 0.000 0.445 656 G N 0.004 108.827 108.800 0.037 0.000 3.182 656 G HA2 0.216 4.166 3.960 -0.017 0.000 0.167 656 G HA3 0.216 4.166 3.960 -0.017 0.000 0.167 656 G C 0.844 175.755 174.900 0.019 0.000 1.537 656 G CA 0.344 45.460 45.100 0.028 0.000 1.046 656 G HN 0.385 nan 8.290 nan 0.000 0.580 657 S N -0.539 115.169 115.700 0.013 0.000 2.474 657 S HA 0.022 4.482 4.470 -0.017 0.000 0.235 657 S C 1.355 175.956 174.600 0.002 0.000 0.997 657 S CA 1.079 59.281 58.200 0.003 0.000 0.949 657 S CB -0.288 62.914 63.200 0.003 0.000 0.766 657 S HN 0.754 nan 8.310 nan 0.000 0.517 658 T N 2.015 116.578 114.554 0.015 0.000 2.882 658 T HA 0.510 4.850 4.350 -0.017 0.000 0.287 658 T C -0.338 174.378 174.700 0.026 0.000 0.992 658 T CA -0.673 61.441 62.100 0.023 0.000 1.076 658 T CB 0.252 69.142 68.868 0.037 0.000 0.961 658 T HN -0.072 nan 8.240 nan 0.000 0.490 659 I N 3.644 124.224 120.570 0.017 0.000 2.493 659 I HA 0.452 4.612 4.170 -0.017 0.000 0.298 659 I C 0.435 176.591 176.117 0.065 0.000 0.998 659 I CA -0.447 60.843 61.300 -0.017 0.000 1.137 659 I CB 1.678 39.575 38.000 -0.171 0.000 1.310 659 I HN 0.883 nan 8.210 nan 0.000 0.445 660 T N 4.927 119.540 114.554 0.097 0.000 3.050 660 T HA 0.429 4.769 4.350 -0.017 0.000 0.310 660 T C -1.265 173.642 174.700 0.345 0.000 0.978 660 T CA -0.394 61.851 62.100 0.242 0.000 1.013 660 T CB 0.253 69.266 68.868 0.241 0.000 1.000 660 T HN 0.342 nan 8.240 nan 0.000 0.447 661 W N 3.104 124.550 121.300 0.243 0.000 2.215 661 W HA 0.435 5.086 4.660 -0.016 0.000 0.342 661 W C 0.809 177.334 176.519 0.009 0.000 1.237 661 W CA -0.836 56.629 57.345 0.200 0.000 1.283 661 W CB 0.605 30.107 29.460 0.070 0.000 1.131 661 W HN 0.722 nan 8.180 nan 0.000 0.606 662 E N 0.883 121.014 120.200 -0.116 0.000 2.338 662 E HA 0.310 4.650 4.350 -0.017 0.000 0.272 662 E C 0.290 176.723 176.600 -0.277 0.000 1.029 662 E CA -0.540 55.371 56.400 -0.816 0.000 0.872 662 E CB 0.759 29.601 29.700 -1.430 0.000 1.015 662 E HN 0.330 nan 8.360 nan 0.000 0.417 663 S N 2.695 118.255 115.700 -0.234 0.000 2.640 663 S HA 0.586 5.046 4.470 -0.017 0.000 0.262 663 S C 1.027 175.518 174.600 -0.182 0.000 1.232 663 S CA -0.281 57.838 58.200 -0.135 0.000 0.988 663 S CB 0.404 63.567 63.200 -0.061 0.000 1.034 663 S HN 1.281 nan 8.310 nan 0.000 0.569 664 G N 0.192 108.905 108.800 -0.146 0.000 2.598 664 G HA2 -0.149 3.801 3.960 -0.017 0.000 0.244 664 G HA3 -0.149 3.801 3.960 -0.017 0.000 0.244 664 G C -0.205 174.577 174.900 -0.196 0.000 1.302 664 G CA -0.219 44.789 45.100 -0.154 0.000 0.903 664 G HN 1.360 nan 8.290 nan 0.000 0.575 665 S N 1.088 116.671 115.700 -0.194 0.000 2.584 665 S HA 0.462 4.922 4.470 -0.017 0.000 0.273 665 S C 0.612 175.044 174.600 -0.281 0.000 1.311 665 S CA -0.598 57.478 58.200 -0.206 0.000 1.034 665 S CB 0.873 63.984 63.200 -0.147 0.000 0.939 665 S HN 0.715 nan 8.310 nan 0.000 0.513 666 N N 2.651 121.207 118.700 -0.240 0.000 2.345 666 N HA -0.012 4.718 4.740 -0.017 0.000 0.243 666 N C -0.051 175.287 175.510 -0.286 0.000 1.246 666 N CA 0.524 53.443 53.050 -0.218 0.000 0.863 666 N CB 0.044 38.498 38.487 -0.055 0.000 1.096 666 N HN 0.541 nan 8.380 nan 0.000 0.446 667 H N 0.113 118.976 119.070 -0.344 0.000 2.562 667 H HA 0.278 4.824 4.556 -0.016 0.000 0.352 667 H C 0.171 175.200 175.328 -0.497 0.000 1.125 667 H CA 0.226 55.969 56.048 -0.508 0.000 1.379 667 H CB 0.622 29.842 29.762 -0.902 0.000 1.464 667 H HN 0.440 nan 8.280 nan 0.000 0.563 668 T N 0.668 115.217 114.554 -0.010 0.000 2.908 668 T HA 0.556 4.896 4.350 -0.017 0.000 0.290 668 T C -0.838 174.140 174.700 0.463 0.000 1.034 668 T CA -0.840 61.377 62.100 0.196 0.000 1.010 668 T CB 1.780 70.741 68.868 0.155 0.000 1.068 668 T HN 0.398 nan 8.240 nan 0.000 0.481 669 F N 0.770 120.908 119.950 0.314 0.000 2.654 669 F HA 0.479 4.996 4.527 -0.017 0.000 0.314 669 F C -1.298 174.633 175.800 0.219 0.000 1.116 669 F CA -0.546 57.631 58.000 0.294 0.000 1.017 669 F CB 1.706 40.965 39.000 0.430 0.000 1.285 669 F HN 0.671 nan 8.300 nan 0.000 0.448 670 T N 3.863 118.114 114.554 -0.505 0.000 2.771 670 T HA 0.530 4.870 4.350 -0.017 0.000 0.281 670 T C -0.207 174.011 174.700 -0.803 0.000 0.982 670 T CA -0.532 61.323 62.100 -0.407 0.000 0.978 670 T CB 1.121 69.870 68.868 -0.198 0.000 0.930 670 T HN 0.669 nan 8.240 nan 0.000 0.447 671 T N 2.521 116.805 114.554 -0.450 0.000 2.913 671 T HA 0.495 4.835 4.350 -0.017 0.000 0.287 671 T C -2.310 172.295 174.700 -0.160 0.000 1.008 671 T CA -1.784 60.127 62.100 -0.315 0.000 1.067 671 T CB 0.538 69.375 68.868 -0.052 0.000 0.996 671 T HN 0.287 nan 8.240 nan 0.000 0.513 672 P HA 0.198 nan 4.420 nan 0.000 0.271 672 P C 0.503 177.806 177.300 0.005 0.000 1.244 672 P CA -0.421 62.669 63.100 -0.018 0.000 0.793 672 P CB 0.474 32.194 31.700 0.033 0.000 0.984 673 A N 0.732 123.561 122.820 0.015 0.000 2.119 673 A HA 0.143 4.453 4.320 -0.017 0.000 0.216 673 A C 0.771 178.379 177.584 0.039 0.000 1.152 673 A CA 1.184 53.235 52.037 0.023 0.000 0.708 673 A CB -0.627 18.386 19.000 0.020 0.000 0.805 673 A HN 0.739 nan 8.150 nan 0.000 0.460 674 S N -3.994 111.738 115.700 0.052 0.000 2.580 674 S HA 0.599 5.059 4.470 -0.017 0.000 0.281 674 S C -0.088 174.566 174.600 0.090 0.000 1.129 674 S CA 0.182 58.425 58.200 0.071 0.000 0.862 674 S CB 0.730 63.969 63.200 0.065 0.000 1.090 674 S HN 2.120 nan 8.310 nan 0.000 0.451 675 G N 1.127 109.998 108.800 0.119 0.000 2.443 675 G HA2 0.363 4.313 3.960 -0.017 0.000 0.209 675 G HA3 0.363 4.313 3.960 -0.017 0.000 0.209 675 G C -0.211 174.788 174.900 0.166 0.000 1.176 675 G CA 0.482 45.668 45.100 0.143 0.000 1.074 675 G HN 2.489 nan 8.290 nan 0.000 0.577 676 T N -2.421 112.227 114.554 0.156 0.000 2.883 676 T HA 1.009 5.349 4.350 -0.017 0.000 0.296 676 T C -0.328 174.454 174.700 0.136 0.000 1.117 676 T CA 0.462 62.661 62.100 0.165 0.000 1.006 676 T CB 1.674 70.652 68.868 0.183 0.000 1.191 676 T HN 2.625 nan 8.240 nan 0.000 0.508 677 A N 0.747 123.645 122.820 0.131 0.000 2.604 677 A HA 0.744 5.054 4.320 -0.017 0.000 0.295 677 A C -0.582 177.030 177.584 0.046 0.000 1.067 677 A CA -0.932 51.180 52.037 0.126 0.000 0.683 677 A CB 1.452 20.590 19.000 0.229 0.000 1.281 677 A HN 0.925 nan 8.150 nan 0.000 0.407 678 T N 1.083 115.644 114.554 0.010 0.000 2.779 678 T HA 0.543 4.883 4.350 -0.017 0.000 0.280 678 T C -0.926 173.647 174.700 -0.211 0.000 0.987 678 T CA -0.343 61.710 62.100 -0.078 0.000 0.966 678 T CB 1.241 70.105 68.868 -0.007 0.000 0.933 678 T HN 1.060 nan 8.240 nan 0.000 0.442 679 V N 4.267 123.915 119.914 -0.443 0.000 2.448 679 V HA 0.608 4.718 4.120 -0.017 0.000 0.295 679 V C -0.400 175.533 176.094 -0.269 0.000 1.025 679 V CA -0.203 61.746 62.300 -0.584 0.000 0.859 679 V CB 1.818 32.797 31.823 -1.406 0.000 0.988 679 V HN 0.992 nan 8.190 nan 0.000 0.431 680 T N 6.445 120.911 114.554 -0.147 0.000 2.823 680 T HA 0.750 5.090 4.350 -0.017 0.000 0.279 680 T C -0.520 174.168 174.700 -0.021 0.000 0.998 680 T CA -0.322 61.741 62.100 -0.062 0.000 0.994 680 T CB 1.495 70.324 68.868 -0.065 0.000 0.960 680 T HN 1.007 nan 8.240 nan 0.000 0.448 681 V N 0.678 120.587 119.914 -0.007 0.000 3.206 681 V HA 0.718 4.828 4.120 -0.017 0.000 0.305 681 V C -1.286 174.800 176.094 -0.014 0.000 1.257 681 V CA -1.244 61.027 62.300 -0.048 0.000 1.057 681 V CB 2.410 34.065 31.823 -0.280 0.000 1.075 681 V HN 0.740 nan 8.190 nan 0.000 0.443 682 N N 1.252 119.980 118.700 0.047 0.000 2.417 682 N HA 0.249 4.979 4.740 -0.017 0.000 0.300 682 N C -0.918 174.726 175.510 0.222 0.000 1.102 682 N CA -0.328 52.793 53.050 0.118 0.000 0.886 682 N CB 2.257 40.814 38.487 0.116 0.000 1.203 682 N HN 1.055 nan 8.380 nan 0.000 0.496 683 W N 3.447 124.779 121.300 0.053 0.000 2.724 683 W HA 0.020 4.670 4.660 -0.016 0.000 0.347 683 W C -0.029 176.569 176.519 0.132 0.000 1.338 683 W CA 0.093 57.497 57.345 0.099 0.000 1.450 683 W CB -0.066 29.396 29.460 0.004 0.000 1.534 683 W HN 0.555 nan 8.180 nan 0.000 0.508 684 Q N 0.000 119.676 119.800 -0.207 0.000 2.315 684 Q HA 0.000 4.330 4.340 -0.017 0.000 0.214 684 Q CA 0.000 55.678 55.803 -0.208 0.000 1.022 684 Q CB 0.000 28.603 28.738 -0.225 0.000 1.108 684 Q HN 0.000 nan 8.270 nan 0.000 0.481