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 1bsi_1_A DATA FIRST_RESID 2 DATA SEQUENCE YSPNTQQGRT SIVHLFEWRW VDIALEcERY LAPKGFGGVQ VSPPNENVAI DATA SEQUENCE YNPFRPWWER YQPVSYKLcT RSGNEDEFRN MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGNAVSAGT SSTcGSYFNP GSRDFPAVPY SGWDFNDGKc KTGSGDIENY DATA SEQUENCE NDATQVRDcR LTGLLDLALE KDYVRSKIAE YMNHLIDIGV AGFRLDASKH DATA SEQUENCE MWPGDIKAIL DKLHNLNSNW FPAGSKPFIY QEVIDLGGEP IKSSDYFGNG DATA SEQUENCE RVTEFKYGAK LGTVIRKWNG EKMSYLKNWG EGWGFVPSDR ALVFVDNHDN DATA SEQUENCE QRGHGAGGAS ILTFWDARLY KMAVGFMLAH PYGFTRVMSS YRWPRQFQNG DATA SEQUENCE NDVNDWVGPP NNNGVIKEVT INPDTTcGND WVcEHRWRQI RNMVIFRNVV DATA SEQUENCE DGQPFTNWYD NGSNQVAFGR GNRGFIVFNN DDWSFSLTLQ TGLPAGTYcD DATA SEQUENCE VISGDKINGN cTGIKIYVSD DGKAHFSISN SAEDPFIAIH AESKL 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 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.944 175.900 0.073 0.000 1.272 2 Y CA 0.000 58.186 58.100 0.143 0.000 1.940 2 Y CB 0.000 38.480 38.460 0.034 0.000 1.050 3 S N 3.874 119.631 115.700 0.095 0.000 2.525 3 S HA 0.257 4.727 4.470 -0.000 0.000 0.278 3 S C -1.932 172.358 174.600 -0.518 0.000 1.234 3 S CA -0.921 57.163 58.200 -0.192 0.000 1.058 3 S CB 1.433 64.577 63.200 -0.093 0.000 0.983 3 S HN -0.033 nan 8.310 nan 0.000 0.495 4 P HA 0.009 nan 4.420 nan 0.000 0.223 4 P C -0.073 176.996 177.300 -0.385 0.000 1.151 4 P CA 0.511 62.726 63.100 -1.475 0.000 0.787 4 P CB -0.051 30.622 31.700 -1.712 0.000 0.788 5 N N -2.179 116.393 118.700 -0.213 0.000 2.776 5 N HA -0.101 4.639 4.740 -0.000 0.000 0.250 5 N C -0.063 175.504 175.510 0.095 0.000 1.112 5 N CA 1.408 54.468 53.050 0.016 0.000 0.733 5 N CB -2.423 36.104 38.487 0.067 0.000 1.097 5 N HN 0.329 nan 8.380 nan 0.000 0.558 6 T N -2.649 111.916 114.554 0.018 0.000 2.788 6 T HA 0.274 4.623 4.350 -0.000 0.000 0.287 6 T C 0.574 175.300 174.700 0.043 0.000 1.007 6 T CA -0.466 61.679 62.100 0.074 0.000 1.005 6 T CB 1.682 70.612 68.868 0.103 0.000 1.012 6 T HN 0.198 nan 8.240 nan 0.000 0.530 7 Q N 0.639 120.457 119.800 0.030 0.000 2.373 7 Q HA 0.075 4.415 4.340 -0.000 0.000 0.255 7 Q C 0.057 176.062 176.000 0.007 0.000 0.980 7 Q CA -0.475 55.331 55.803 0.006 0.000 0.882 7 Q CB 0.485 29.217 28.738 -0.010 0.000 1.249 7 Q HN 0.510 nan 8.270 nan 0.000 0.438 8 Q N 1.572 121.372 119.800 0.000 0.000 2.262 8 Q HA 0.002 4.342 4.340 -0.000 0.000 0.298 8 Q C 0.577 176.572 176.000 -0.008 0.000 1.083 8 Q CA 1.247 57.048 55.803 -0.003 0.000 0.962 8 Q CB 0.341 29.076 28.738 -0.005 0.000 1.104 8 Q HN 1.054 nan 8.270 nan 0.000 0.376 9 G N 3.376 112.170 108.800 -0.009 0.000 2.157 9 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.239 9 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.239 9 G C 0.008 174.891 174.900 -0.029 0.000 0.982 9 G CA -0.226 44.861 45.100 -0.022 0.000 0.650 9 G HN 0.512 nan 8.290 nan 0.000 0.527 10 R N 0.390 120.885 120.500 -0.008 0.000 2.360 10 R HA 0.547 4.887 4.340 -0.000 0.000 0.318 10 R C 0.925 177.240 176.300 0.024 0.000 0.950 10 R CA 0.177 56.270 56.100 -0.012 0.000 0.837 10 R CB 1.112 31.421 30.300 0.016 0.000 1.165 10 R HN 0.289 nan 8.270 nan 0.000 0.458 11 T N -2.532 111.993 114.554 -0.049 0.000 3.129 11 T HA 0.263 4.613 4.350 -0.000 0.000 0.267 11 T C 0.334 174.789 174.700 -0.409 0.000 1.018 11 T CA -0.244 61.809 62.100 -0.078 0.000 0.903 11 T CB 0.394 69.201 68.868 -0.103 0.000 1.067 11 T HN 0.250 nan 8.240 nan 0.000 0.549 12 S N 1.193 116.694 115.700 -0.332 0.000 2.588 12 S HA 0.769 5.239 4.470 -0.000 0.000 0.275 12 S C -0.802 173.724 174.600 -0.124 0.000 1.130 12 S CA -1.093 56.830 58.200 -0.462 0.000 0.855 12 S CB 1.790 64.796 63.200 -0.323 0.000 1.116 12 S HN 0.584 nan 8.310 nan 0.000 0.472 13 I N -1.014 119.504 120.570 -0.086 0.000 2.957 13 I HA 0.925 5.095 4.170 -0.000 0.000 0.310 13 I C -0.975 175.204 176.117 0.104 0.000 1.063 13 I CA -1.073 60.297 61.300 0.118 0.000 1.033 13 I CB 1.762 39.852 38.000 0.151 0.000 1.230 13 I HN 0.443 nan 8.210 nan 0.000 0.447 14 V N 2.911 122.888 119.914 0.104 0.000 2.604 14 V HA 0.412 4.532 4.120 -0.000 0.000 0.305 14 V C -1.077 175.024 176.094 0.012 0.000 1.043 14 V CA -0.351 61.953 62.300 0.006 0.000 0.888 14 V CB 1.563 33.245 31.823 -0.235 0.000 0.995 14 V HN 0.876 nan 8.190 nan 0.000 0.429 15 H N 6.869 125.884 119.070 -0.092 0.000 2.820 15 H HA 0.403 4.959 4.556 -0.000 0.000 0.278 15 H C -0.413 174.830 175.328 -0.142 0.000 1.142 15 H CA -0.562 55.454 56.048 -0.053 0.000 1.346 15 H CB 0.420 30.177 29.762 -0.007 0.000 1.438 15 H HN 0.622 nan 8.280 nan 0.000 0.473 16 L N 6.983 128.082 121.223 -0.208 0.000 2.399 16 L HA 0.081 4.421 4.340 -0.000 0.000 0.257 16 L C 0.094 176.801 176.870 -0.271 0.000 1.236 16 L CA -0.598 53.835 54.840 -0.679 0.000 1.144 16 L CB -0.697 40.674 42.059 -1.146 0.000 1.379 16 L HN 0.465 nan 8.230 nan 0.000 0.414 17 F N 4.676 124.338 119.950 -0.481 0.000 2.546 17 F HA -0.021 4.506 4.527 -0.000 0.000 0.388 17 F C 1.324 177.316 175.800 0.320 0.000 1.051 17 F CA 0.170 57.977 58.000 -0.323 0.000 1.130 17 F CB -0.223 38.515 39.000 -0.435 0.000 1.044 17 F HN 0.528 nan 8.300 nan 0.000 0.553 18 E N 2.515 122.756 120.200 0.067 0.000 3.628 18 E HA -0.296 4.054 4.350 -0.000 0.000 0.309 18 E C -0.586 176.126 176.600 0.186 0.000 0.839 18 E CA 0.784 57.197 56.400 0.021 0.000 1.123 18 E CB -1.682 27.908 29.700 -0.183 0.000 1.568 18 E HN 0.615 nan 8.360 nan 0.000 0.440 19 W N 1.546 122.765 121.300 -0.136 0.000 2.150 19 W HA 0.225 4.885 4.660 -0.000 0.000 0.341 19 W C 1.497 177.831 176.519 -0.308 0.000 1.276 19 W CA -0.037 57.114 57.345 -0.323 0.000 1.238 19 W CB 0.279 29.552 29.460 -0.311 0.000 1.128 19 W HN -0.092 nan 8.180 nan 0.000 0.581 20 R N 1.520 121.923 120.500 -0.161 0.000 2.582 20 R HA 0.083 4.423 4.340 -0.000 0.000 0.271 20 R C 1.026 177.314 176.300 -0.020 0.000 1.078 20 R CA -0.258 55.673 56.100 -0.282 0.000 1.127 20 R CB 0.488 30.657 30.300 -0.218 0.000 1.038 20 R HN 0.686 nan 8.270 nan 0.000 0.500 21 W N 0.447 121.793 121.300 0.076 0.000 2.358 21 W HA -0.190 4.470 4.660 -0.000 0.000 0.303 21 W C 1.917 178.448 176.519 0.020 0.000 1.208 21 W CA 0.051 57.430 57.345 0.056 0.000 1.274 21 W CB -0.299 29.207 29.460 0.076 0.000 1.138 21 W HN 0.407 nan 8.180 nan 0.000 0.515 22 V N 1.112 121.160 119.914 0.223 0.000 2.490 22 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 22 V C 1.687 177.829 176.094 0.079 0.000 1.061 22 V CA 2.291 64.661 62.300 0.117 0.000 1.064 22 V CB -0.487 31.375 31.823 0.065 0.000 0.670 22 V HN 0.068 nan 8.190 nan 0.000 0.461 23 D N -0.266 120.170 120.400 0.060 0.000 2.162 23 D HA -0.034 4.606 4.640 -0.000 0.000 0.203 23 D C 2.048 178.486 176.300 0.230 0.000 0.967 23 D CA 1.416 55.440 54.000 0.040 0.000 0.840 23 D CB -0.038 40.647 40.800 -0.193 0.000 0.972 23 D HN 0.482 nan 8.370 nan 0.000 0.482 24 I N 1.253 121.995 120.570 0.286 0.000 2.252 24 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 24 I C 2.509 178.679 176.117 0.089 0.000 1.102 24 I CA 0.782 62.205 61.300 0.205 0.000 1.385 24 I CB -0.176 37.935 38.000 0.185 0.000 1.064 24 I HN -0.096 nan 8.210 nan 0.000 0.414 25 A N 1.116 123.983 122.820 0.077 0.000 1.883 25 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 25 A C 2.313 179.917 177.584 0.033 0.000 1.186 25 A CA 1.536 53.585 52.037 0.020 0.000 0.624 25 A CB -0.923 18.090 19.000 0.021 0.000 0.822 25 A HN 0.364 nan 8.150 nan 0.000 0.444 26 L N -1.123 120.136 121.223 0.059 0.000 2.017 26 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 26 L C 2.694 179.614 176.870 0.084 0.000 1.073 26 L CA 1.862 56.737 54.840 0.059 0.000 0.745 26 L CB -0.415 41.674 42.059 0.050 0.000 0.894 26 L HN 0.491 nan 8.230 nan 0.000 0.432 27 E N -0.587 119.686 120.200 0.122 0.000 2.153 27 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 27 E C 2.236 178.891 176.600 0.093 0.000 0.988 27 E CA 1.311 57.799 56.400 0.147 0.000 0.811 27 E CB -0.206 29.609 29.700 0.192 0.000 0.746 27 E HN 0.433 nan 8.360 nan 0.000 0.466 28 c N 0.478 119.098 118.600 0.034 0.000 2.432 28 c HA -0.102 4.468 4.570 -0.000 0.000 0.277 28 c C 2.357 176.462 174.090 0.024 0.000 1.249 28 c CA 1.212 57.542 56.329 0.002 0.000 1.725 28 c CB -0.827 41.657 42.510 -0.043 0.000 2.028 28 c HN 0.544 nan 8.230 nan 0.000 0.477 29 E N 0.297 120.516 120.200 0.030 0.000 2.046 29 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 29 E C 2.365 178.998 176.600 0.055 0.000 0.982 29 E CA 0.926 57.345 56.400 0.032 0.000 0.800 29 E CB -0.227 29.488 29.700 0.026 0.000 0.756 29 E HN 0.686 nan 8.360 nan 0.000 0.449 30 R N -0.864 119.688 120.500 0.088 0.000 2.200 30 R HA -0.033 4.307 4.340 -0.000 0.000 0.208 30 R C 1.255 177.666 176.300 0.185 0.000 1.033 30 R CA 1.080 57.250 56.100 0.116 0.000 1.000 30 R CB 0.070 30.440 30.300 0.118 0.000 0.906 30 R HN 0.250 nan 8.270 nan 0.000 0.462 31 Y N -0.082 120.241 120.300 0.038 0.000 2.965 31 Y HA 0.265 4.815 4.550 -0.000 0.000 0.242 31 Y C 1.716 177.650 175.900 0.056 0.000 1.078 31 Y CA -0.257 57.871 58.100 0.047 0.000 1.288 31 Y CB 0.262 38.744 38.460 0.038 0.000 1.459 31 Y HN -0.151 nan 8.280 nan 0.000 0.438 32 L N 0.479 121.780 121.223 0.130 0.000 2.017 32 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 32 L C 2.631 179.569 176.870 0.114 0.000 1.073 32 L CA 1.566 56.449 54.840 0.070 0.000 0.745 32 L CB -0.929 41.129 42.059 -0.001 0.000 0.894 32 L HN 0.372 nan 8.230 nan 0.000 0.432 33 A N 0.540 123.390 122.820 0.050 0.000 1.845 33 A HA -0.098 4.221 4.320 -0.000 0.000 0.215 33 A C 0.115 177.706 177.584 0.012 0.000 1.195 33 A CA 1.571 53.627 52.037 0.031 0.000 0.616 33 A CB -1.887 17.119 19.000 0.009 0.000 0.832 33 A HN 0.287 nan 8.150 nan 0.000 0.443 34 P HA -0.121 nan 4.420 nan 0.000 0.216 34 P C 0.822 178.086 177.300 -0.060 0.000 1.150 34 P CA 1.361 64.438 63.100 -0.039 0.000 0.837 34 P CB -0.017 31.654 31.700 -0.048 0.000 0.786 35 K N -1.587 118.757 120.400 -0.094 0.000 2.444 35 K HA 0.286 4.606 4.320 -0.000 0.000 0.193 35 K C 1.185 177.782 176.600 -0.004 0.000 1.024 35 K CA 0.650 56.895 56.287 -0.071 0.000 1.077 35 K CB -0.888 31.502 32.500 -0.184 0.000 0.833 35 K HN 0.159 nan 8.250 nan 0.000 0.517 36 G N 0.478 109.294 108.800 0.025 0.000 2.160 36 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.244 36 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.244 36 G C -0.270 174.590 174.900 -0.068 0.000 1.022 36 G CA -0.401 44.679 45.100 -0.033 0.000 0.741 36 G HN 0.174 nan 8.290 nan 0.000 0.508 37 F N 0.461 120.395 119.950 -0.027 0.000 2.443 37 F HA 0.508 5.035 4.527 -0.000 0.000 0.353 37 F C 1.806 177.611 175.800 0.008 0.000 1.101 37 F CA 0.849 58.847 58.000 -0.003 0.000 1.226 37 F CB 1.412 40.424 39.000 0.020 0.000 1.140 37 F HN 0.002 nan 8.300 nan 0.000 0.557 38 G N 1.461 110.356 108.800 0.159 0.000 2.430 38 G HA2 0.388 4.347 3.960 -0.000 0.000 0.216 38 G HA3 0.388 4.347 3.960 -0.000 0.000 0.216 38 G C 0.497 175.524 174.900 0.212 0.000 1.146 38 G CA 0.688 45.885 45.100 0.162 0.000 0.793 38 G HN 1.020 nan 8.290 nan 0.000 0.537 39 G N -2.101 106.856 108.800 0.262 0.000 2.430 39 G HA2 0.457 4.416 3.960 -0.000 0.000 0.300 39 G HA3 0.457 4.416 3.960 -0.000 0.000 0.300 39 G C -2.189 172.850 174.900 0.231 0.000 1.330 39 G CA -0.254 45.008 45.100 0.270 0.000 0.813 39 G HN 0.480 nan 8.290 nan 0.000 0.487 40 V N 0.344 120.375 119.914 0.195 0.000 2.638 40 V HA 0.579 4.699 4.120 -0.000 0.000 0.306 40 V C -0.179 176.061 176.094 0.242 0.000 1.052 40 V CA -0.675 61.695 62.300 0.116 0.000 0.885 40 V CB 1.672 33.470 31.823 -0.041 0.000 0.999 40 V HN 0.866 nan 8.190 nan 0.000 0.424 41 Q N 3.416 123.360 119.800 0.240 0.000 2.296 41 Q HA 0.623 4.963 4.340 -0.000 0.000 0.257 41 Q C -0.664 175.506 176.000 0.284 0.000 0.942 41 Q CA -0.457 55.503 55.803 0.262 0.000 0.939 41 Q CB 1.791 30.614 28.738 0.143 0.000 1.198 41 Q HN 0.807 nan 8.270 nan 0.000 0.429 42 V N 1.170 121.245 119.914 0.269 0.000 2.834 42 V HA 0.592 4.712 4.120 -0.000 0.000 0.313 42 V C 0.106 176.462 176.094 0.436 0.000 1.060 42 V CA -0.833 61.699 62.300 0.386 0.000 0.989 42 V CB 1.656 33.705 31.823 0.377 0.000 1.041 42 V HN 0.767 nan 8.190 nan 0.000 0.459 43 S N 2.711 118.730 115.700 0.532 0.000 2.600 43 S HA 0.358 4.828 4.470 -0.000 0.000 0.265 43 S C -2.395 172.425 174.600 0.366 0.000 1.325 43 S CA -0.412 58.050 58.200 0.437 0.000 1.002 43 S CB 0.232 63.646 63.200 0.356 0.000 0.921 43 S HN 0.848 nan 8.310 nan 0.000 0.554 44 P HA 0.036 nan 4.420 nan 0.000 0.258 44 P C -1.931 175.513 177.300 0.240 0.000 1.172 44 P CA -0.647 62.531 63.100 0.131 0.000 0.762 44 P CB -0.000 31.642 31.700 -0.096 0.000 0.764 45 P HA -0.035 nan 4.420 nan 0.000 0.255 45 P C -0.160 177.234 177.300 0.155 0.000 1.248 45 P CA 0.578 63.846 63.100 0.279 0.000 0.807 45 P CB 0.190 31.776 31.700 -0.191 0.000 1.150 46 N N 0.489 119.261 118.700 0.121 0.000 2.508 46 N HA 0.057 4.797 4.740 -0.000 0.000 0.285 46 N C -0.204 175.291 175.510 -0.024 0.000 1.144 46 N CA -0.500 52.571 53.050 0.034 0.000 0.978 46 N CB 1.336 39.779 38.487 -0.073 0.000 1.180 46 N HN -0.048 nan 8.380 nan 0.000 0.484 47 E N 0.371 120.536 120.200 -0.060 0.000 2.529 47 E HA -0.094 4.256 4.350 -0.000 0.000 0.259 47 E C -0.381 176.134 176.600 -0.143 0.000 0.966 47 E CA 0.062 56.411 56.400 -0.085 0.000 0.937 47 E CB 0.279 29.926 29.700 -0.088 0.000 0.923 47 E HN 0.732 nan 8.360 nan 0.000 0.468 48 N N 1.869 120.487 118.700 -0.137 0.000 2.629 48 N HA 0.249 4.989 4.740 -0.000 0.000 0.279 48 N C -0.928 174.463 175.510 -0.198 0.000 1.344 48 N CA -0.774 52.176 53.050 -0.167 0.000 0.789 48 N CB 1.012 39.425 38.487 -0.124 0.000 1.508 48 N HN 0.175 nan 8.380 nan 0.000 0.516 49 V N 0.323 120.112 119.914 -0.209 0.000 2.637 49 V HA 0.313 4.433 4.120 -0.000 0.000 0.296 49 V C 0.681 176.704 176.094 -0.119 0.000 1.046 49 V CA -0.507 61.691 62.300 -0.170 0.000 1.066 49 V CB 0.507 32.284 31.823 -0.076 0.000 0.968 49 V HN 0.833 nan 8.190 nan 0.000 0.483 50 A N 7.191 129.962 122.820 -0.082 0.000 2.279 50 A HA 0.633 4.953 4.320 -0.000 0.000 0.306 50 A C -0.270 177.147 177.584 -0.279 0.000 1.300 50 A CA -0.344 51.553 52.037 -0.234 0.000 0.925 50 A CB -0.161 18.749 19.000 -0.150 0.000 1.152 50 A HN 0.756 nan 8.150 nan 0.000 0.544 51 I N 3.034 123.350 120.570 -0.423 0.000 2.339 51 I HA 0.203 4.373 4.170 -0.000 0.000 0.290 51 I C -0.294 175.519 176.117 -0.507 0.000 0.994 51 I CA -0.117 60.994 61.300 -0.315 0.000 1.191 51 I CB 1.261 39.109 38.000 -0.253 0.000 1.343 51 I HN 0.809 nan 8.210 nan 0.000 0.458 52 Y N 3.599 123.841 120.300 -0.097 0.000 2.449 52 Y HA 0.122 4.672 4.550 -0.000 0.000 0.254 52 Y C 0.783 176.683 175.900 0.000 0.000 1.140 52 Y CA -0.209 57.873 58.100 -0.029 0.000 1.272 52 Y CB 0.269 38.761 38.460 0.052 0.000 1.114 52 Y HN 0.543 nan 8.280 nan 0.000 0.525 53 N N 1.266 119.988 118.700 0.036 0.000 2.581 53 N HA 0.235 4.975 4.740 -0.000 0.000 0.279 53 N C -2.988 172.450 175.510 -0.120 0.000 1.124 53 N CA -1.828 51.199 53.050 -0.038 0.000 0.833 53 N CB 1.148 39.645 38.487 0.016 0.000 1.338 53 N HN -0.191 nan 8.380 nan 0.000 0.533 54 P HA 0.163 nan 4.420 nan 0.000 0.274 54 P C -0.590 176.497 177.300 -0.354 0.000 1.260 54 P CA -0.334 62.400 63.100 -0.611 0.000 0.793 54 P CB 0.518 31.317 31.700 -1.502 0.000 1.048 55 F N 2.376 122.121 119.950 -0.341 0.000 2.462 55 F HA 0.129 4.656 4.527 -0.000 0.000 0.360 55 F C 0.681 176.458 175.800 -0.039 0.000 1.134 55 F CA -0.246 57.712 58.000 -0.070 0.000 1.148 55 F CB -0.218 38.835 39.000 0.089 0.000 1.147 55 F HN 0.207 nan 8.300 nan 0.000 0.550 56 R N 3.546 123.595 120.500 -0.751 0.000 3.092 56 R HA -0.157 4.183 4.340 -0.000 0.000 0.245 56 R C -2.679 173.379 176.300 -0.403 0.000 0.881 56 R CA 0.190 55.866 56.100 -0.707 0.000 0.614 56 R CB -2.429 27.336 30.300 -0.892 0.000 1.128 56 R HN 0.395 nan 8.270 nan 0.000 0.483 57 P HA -0.027 nan 4.420 nan 0.000 0.272 57 P C 1.526 178.504 177.300 -0.536 0.000 1.230 57 P CA -0.483 62.283 63.100 -0.557 0.000 0.788 57 P CB 0.241 31.053 31.700 -1.480 0.000 0.949 58 W N 3.198 124.358 121.300 -0.234 0.000 2.342 58 W HA -0.125 4.535 4.660 -0.000 0.000 0.297 58 W C 1.627 178.247 176.519 0.168 0.000 1.213 58 W CA 0.902 58.251 57.345 0.006 0.000 1.251 58 W CB -1.846 27.779 29.460 0.275 0.000 1.136 58 W HN 0.466 nan 8.180 nan 0.000 0.526 59 W N 3.400 124.204 121.300 -0.828 0.000 2.961 59 W HA 0.003 4.663 4.660 0.000 0.000 0.240 59 W C 1.572 178.009 176.519 -0.138 0.000 1.305 59 W CA 0.909 57.872 57.345 -0.636 0.000 1.465 59 W CB -1.423 27.324 29.460 -1.189 0.000 1.135 59 W HN 0.228 nan 8.180 nan 0.000 0.688 60 E N 1.765 121.907 120.200 -0.097 0.000 2.268 60 E HA -0.157 4.192 4.350 -0.000 0.000 0.195 60 E C 1.816 178.428 176.600 0.020 0.000 0.995 60 E CA 0.738 57.125 56.400 -0.021 0.000 0.836 60 E CB -0.531 29.020 29.700 -0.249 0.000 0.763 60 E HN 0.256 nan 8.360 nan 0.000 0.491 61 R N -0.393 120.120 120.500 0.021 0.000 2.316 61 R HA -0.020 4.320 4.340 -0.000 0.000 0.202 61 R C 0.386 176.511 176.300 -0.293 0.000 1.029 61 R CA 0.658 56.684 56.100 -0.124 0.000 1.018 61 R CB -0.010 30.205 30.300 -0.142 0.000 0.888 61 R HN 0.324 nan 8.270 nan 0.000 0.471 62 Y N 0.151 120.568 120.300 0.195 0.000 2.571 62 Y HA 0.211 4.761 4.550 -0.000 0.000 0.275 62 Y C 0.166 176.220 175.900 0.257 0.000 1.179 62 Y CA -0.072 58.179 58.100 0.252 0.000 1.242 62 Y CB 0.632 39.277 38.460 0.309 0.000 1.126 62 Y HN -0.114 nan 8.280 nan 0.000 0.524 63 Q N 1.338 121.250 119.800 0.185 0.000 2.798 63 Q HA 0.276 4.616 4.340 -0.000 0.000 0.250 63 Q C -2.741 173.251 176.000 -0.013 0.000 1.006 63 Q CA -2.081 53.798 55.803 0.127 0.000 0.759 63 Q CB 1.340 30.140 28.738 0.104 0.000 1.201 63 Q HN 0.061 nan 8.270 nan 0.000 0.486 64 P HA -0.039 nan 4.420 nan 0.000 0.269 64 P C 0.202 177.343 177.300 -0.266 0.000 1.209 64 P CA 0.069 63.060 63.100 -0.183 0.000 0.776 64 P CB 1.225 32.797 31.700 -0.213 0.000 0.876 65 V N 0.592 120.322 119.914 -0.308 0.000 3.484 65 V HA 0.110 4.230 4.120 -0.000 0.000 0.252 65 V C 0.847 176.818 176.094 -0.205 0.000 1.282 65 V CA 1.508 63.635 62.300 -0.288 0.000 1.104 65 V CB 0.471 31.999 31.823 -0.492 0.000 0.868 65 V HN 0.841 nan 8.190 nan 0.000 0.457 66 S N -2.269 113.218 115.700 -0.354 0.000 2.694 66 S HA 0.419 4.889 4.470 -0.000 0.000 0.273 66 S C -0.872 173.339 174.600 -0.649 0.000 1.180 66 S CA -0.370 57.543 58.200 -0.479 0.000 0.864 66 S CB 0.807 63.880 63.200 -0.212 0.000 1.198 66 S HN -0.054 nan 8.310 nan 0.000 0.499 67 Y N 0.945 121.089 120.300 -0.259 0.000 2.607 67 Y HA 0.475 5.025 4.550 -0.000 0.000 0.266 67 Y C 0.641 176.447 175.900 -0.157 0.000 1.178 67 Y CA -0.828 57.031 58.100 -0.402 0.000 1.226 67 Y CB -0.148 38.006 38.460 -0.510 0.000 1.144 67 Y HN 0.392 nan 8.280 nan 0.000 0.528 68 K N 0.834 121.231 120.400 -0.006 0.000 2.401 68 K HA 0.135 4.455 4.320 -0.000 0.000 0.278 68 K C -0.489 176.152 176.600 0.068 0.000 1.018 68 K CA -0.399 55.915 56.287 0.044 0.000 0.981 68 K CB 0.660 33.173 32.500 0.021 0.000 0.933 68 K HN -0.059 nan 8.250 nan 0.000 0.477 69 L N 3.845 125.128 121.223 0.100 0.000 2.391 69 L HA 0.087 4.427 4.340 -0.000 0.000 0.249 69 L C -0.446 176.507 176.870 0.137 0.000 1.308 69 L CA 0.205 55.092 54.840 0.078 0.000 1.209 69 L CB -0.454 41.603 42.059 -0.003 0.000 1.401 69 L HN 0.583 nan 8.230 nan 0.000 0.416 70 c N 1.864 120.535 118.600 0.119 0.000 2.781 70 c HA 0.748 5.318 4.570 -0.000 0.000 0.348 70 c C 0.350 174.483 174.090 0.072 0.000 1.051 70 c CA -0.043 56.353 56.329 0.111 0.000 1.347 70 c CB 0.210 42.764 42.510 0.074 0.000 1.846 70 c HN 0.879 nan 8.230 nan 0.000 0.473 71 T N 1.789 116.388 114.554 0.074 0.000 2.696 71 T HA 0.489 4.839 4.350 -0.000 0.000 0.291 71 T C 0.904 175.552 174.700 -0.086 0.000 1.095 71 T CA -0.666 61.429 62.100 -0.008 0.000 1.026 71 T CB 1.066 69.942 68.868 0.013 0.000 1.390 71 T HN 0.504 nan 8.240 nan 0.000 0.513 72 R N 0.088 120.506 120.500 -0.138 0.000 2.285 72 R HA 0.053 4.393 4.340 -0.000 0.000 0.213 72 R C 1.994 178.131 176.300 -0.271 0.000 1.068 72 R CA 0.858 56.857 56.100 -0.168 0.000 1.004 72 R CB -0.377 29.823 30.300 -0.167 0.000 0.873 72 R HN 0.545 nan 8.270 nan 0.000 0.467 73 S N -0.484 114.944 115.700 -0.453 0.000 2.496 73 S HA 0.130 4.599 4.470 -0.000 0.000 0.224 73 S C 0.726 174.722 174.600 -1.007 0.000 0.996 73 S CA 0.678 58.331 58.200 -0.912 0.000 0.927 73 S CB 0.661 62.816 63.200 -1.742 0.000 0.774 73 S HN 0.645 nan 8.310 nan 0.000 0.524 74 G N 1.322 109.827 108.800 -0.491 0.000 2.369 74 G HA2 0.142 4.102 3.960 -0.000 0.000 0.293 74 G HA3 0.142 4.102 3.960 -0.000 0.000 0.293 74 G C -1.392 173.658 174.900 0.249 0.000 1.301 74 G CA -0.611 44.436 45.100 -0.088 0.000 0.913 74 G HN 0.339 nan 8.290 nan 0.000 0.540 75 N N -0.794 118.096 118.700 0.316 0.000 2.643 75 N HA 0.448 5.188 4.740 -0.000 0.000 0.305 75 N C 1.039 176.760 175.510 0.351 0.000 1.283 75 N CA 0.068 53.287 53.050 0.282 0.000 0.946 75 N CB 0.951 39.545 38.487 0.177 0.000 1.149 75 N HN 0.736 nan 8.380 nan 0.000 0.600 76 E N -0.866 119.481 120.200 0.244 0.000 2.077 76 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 76 E C 0.396 177.134 176.600 0.229 0.000 0.989 76 E CA 1.353 57.890 56.400 0.228 0.000 0.800 76 E CB -0.099 29.714 29.700 0.188 0.000 0.746 76 E HN 0.522 nan 8.360 nan 0.000 0.452 77 D N 0.462 120.976 120.400 0.189 0.000 2.117 77 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 77 D C 1.758 178.151 176.300 0.156 0.000 0.987 77 D CA 1.143 55.234 54.000 0.151 0.000 0.829 77 D CB -0.128 40.745 40.800 0.123 0.000 0.961 77 D HN 0.365 nan 8.370 nan 0.000 0.460 78 E N -0.145 120.187 120.200 0.220 0.000 2.150 78 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 78 E C 1.884 178.607 176.600 0.205 0.000 0.985 78 E CA 0.315 56.865 56.400 0.251 0.000 0.814 78 E CB -0.162 29.752 29.700 0.356 0.000 0.752 78 E HN 0.221 nan 8.360 nan 0.000 0.466 79 F N 1.845 121.795 119.950 -0.002 0.000 2.102 79 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 79 F C 2.251 177.884 175.800 -0.277 0.000 1.105 79 F CA 1.447 59.173 58.000 -0.457 0.000 1.239 79 F CB 0.094 38.776 39.000 -0.530 0.000 0.991 79 F HN -0.211 nan 8.300 nan 0.000 0.474 80 R N 0.260 120.742 120.500 -0.029 0.000 2.073 80 R HA -0.222 4.118 4.340 -0.000 0.000 0.234 80 R C 2.300 178.525 176.300 -0.126 0.000 1.134 80 R CA 1.494 57.549 56.100 -0.075 0.000 0.952 80 R CB -1.045 29.290 30.300 0.057 0.000 0.850 80 R HN 0.446 nan 8.270 nan 0.000 0.433 81 N N 1.083 119.750 118.700 -0.054 0.000 2.069 81 N HA -0.226 4.514 4.740 -0.000 0.000 0.191 81 N C 1.886 177.332 175.510 -0.106 0.000 1.031 81 N CA 1.576 54.605 53.050 -0.035 0.000 0.852 81 N CB -0.045 38.455 38.487 0.022 0.000 1.018 81 N HN 0.231 nan 8.380 nan 0.000 0.423 82 M N 0.775 120.268 119.600 -0.179 0.000 2.086 82 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 82 M C 1.899 177.983 176.300 -0.360 0.000 1.067 82 M CA 1.334 56.496 55.300 -0.231 0.000 1.116 82 M CB -0.080 32.373 32.600 -0.246 0.000 1.348 82 M HN -0.032 nan 8.290 nan 0.000 0.407 83 V N 0.673 120.264 119.914 -0.538 0.000 2.343 83 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 83 V C 2.350 178.145 176.094 -0.497 0.000 1.051 83 V CA 2.345 64.304 62.300 -0.568 0.000 1.036 83 V CB -1.309 30.137 31.823 -0.628 0.000 0.654 83 V HN 0.583 nan 8.190 nan 0.000 0.451 84 T N -0.272 114.091 114.554 -0.317 0.000 2.674 84 T HA -0.209 4.141 4.350 -0.000 0.000 0.265 84 T C 2.093 176.708 174.700 -0.142 0.000 1.039 84 T CA 1.709 63.715 62.100 -0.157 0.000 1.150 84 T CB -0.247 68.677 68.868 0.094 0.000 0.864 84 T HN 0.410 nan 8.240 nan 0.000 0.427 85 R N -0.012 120.419 120.500 -0.116 0.000 2.096 85 R HA -0.027 4.313 4.340 -0.000 0.000 0.235 85 R C 2.793 179.015 176.300 -0.129 0.000 1.127 85 R CA 1.295 57.347 56.100 -0.080 0.000 0.968 85 R CB -0.690 29.579 30.300 -0.050 0.000 0.861 85 R HN 0.382 nan 8.270 nan 0.000 0.440 86 c N 0.523 119.002 118.600 -0.202 0.000 2.453 86 c HA -0.010 4.560 4.570 -0.000 0.000 0.277 86 c C 2.322 176.244 174.090 -0.281 0.000 1.262 86 c CA 0.417 56.618 56.329 -0.212 0.000 1.718 86 c CB -0.950 41.414 42.510 -0.243 0.000 2.031 86 c HN 0.506 nan 8.230 nan 0.000 0.480 87 N N 1.601 120.017 118.700 -0.472 0.000 2.120 87 N HA -0.096 4.644 4.740 -0.000 0.000 0.188 87 N C 1.283 176.544 175.510 -0.415 0.000 1.024 87 N CA 1.142 53.774 53.050 -0.696 0.000 0.852 87 N CB -0.649 36.882 38.487 -1.593 0.000 1.003 87 N HN 0.474 nan 8.380 nan 0.000 0.424 88 N N 0.011 118.595 118.700 -0.193 0.000 2.520 88 N HA -0.070 4.670 4.740 -0.000 0.000 0.185 88 N C 0.992 176.493 175.510 -0.016 0.000 1.068 88 N CA 0.231 53.302 53.050 0.035 0.000 0.911 88 N CB 0.163 38.707 38.487 0.095 0.000 0.961 88 N HN 0.047 nan 8.380 nan 0.000 0.446 89 V N -0.984 118.887 119.914 -0.071 0.000 3.276 89 V HA 0.308 4.428 4.120 -0.000 0.000 0.319 89 V C 0.941 176.998 176.094 -0.060 0.000 1.427 89 V CA 0.570 62.841 62.300 -0.048 0.000 1.102 89 V CB -0.225 31.577 31.823 -0.036 0.000 1.020 89 V HN 0.361 nan 8.190 nan 0.000 0.456 90 G N 0.666 109.404 108.800 -0.102 0.000 2.143 90 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.248 90 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.248 90 G C 0.095 174.943 174.900 -0.087 0.000 0.991 90 G CA 0.324 45.363 45.100 -0.101 0.000 0.689 90 G HN 0.646 nan 8.290 nan 0.000 0.522 91 V N 2.276 122.123 119.914 -0.111 0.000 2.347 91 V HA 0.578 4.697 4.120 -0.000 0.000 0.280 91 V C 0.554 176.558 176.094 -0.151 0.000 1.021 91 V CA -1.271 60.984 62.300 -0.075 0.000 0.847 91 V CB 1.405 33.199 31.823 -0.049 0.000 0.990 91 V HN 0.326 nan 8.190 nan 0.000 0.444 92 R N 4.238 124.669 120.500 -0.114 0.000 2.560 92 R HA 0.539 4.879 4.340 -0.000 0.000 0.270 92 R C -0.560 175.513 176.300 -0.379 0.000 1.074 92 R CA -0.691 55.251 56.100 -0.263 0.000 1.140 92 R CB 0.923 31.064 30.300 -0.265 0.000 1.073 92 R HN 0.427 nan 8.270 nan 0.000 0.527 93 I N 2.647 122.882 120.570 -0.558 0.000 2.404 93 I HA 0.295 4.465 4.170 -0.000 0.000 0.293 93 I C -0.646 175.046 176.117 -0.707 0.000 0.992 93 I CA -0.896 60.110 61.300 -0.490 0.000 1.149 93 I CB 1.123 38.860 38.000 -0.439 0.000 1.315 93 I HN 0.416 nan 8.210 nan 0.000 0.446 94 Y N 4.628 124.885 120.300 -0.072 0.000 2.350 94 Y HA 0.468 5.018 4.550 -0.000 0.000 0.338 94 Y C 0.185 176.036 175.900 -0.082 0.000 0.961 94 Y CA -0.899 57.147 58.100 -0.091 0.000 1.100 94 Y CB 1.925 40.462 38.460 0.129 0.000 1.179 94 Y HN 0.179 nan 8.280 nan 0.000 0.454 95 V N 3.014 122.881 119.914 -0.078 0.000 2.509 95 V HA 0.121 4.240 4.120 -0.000 0.000 0.284 95 V C -0.177 176.010 176.094 0.156 0.000 1.047 95 V CA -0.738 61.607 62.300 0.074 0.000 0.952 95 V CB 1.483 33.362 31.823 0.095 0.000 0.988 95 V HN 0.659 nan 8.190 nan 0.000 0.469 96 D N 4.056 124.554 120.400 0.164 0.000 2.352 96 D HA 0.348 4.988 4.640 -0.000 0.000 0.245 96 D C 0.051 176.459 176.300 0.180 0.000 1.224 96 D CA -0.030 54.057 54.000 0.145 0.000 0.879 96 D CB 1.179 42.084 40.800 0.174 0.000 1.057 96 D HN 0.683 nan 8.370 nan 0.000 0.491 97 A N 4.148 127.061 122.820 0.155 0.000 2.260 97 A HA 0.401 4.721 4.320 -0.000 0.000 0.312 97 A C -0.158 177.484 177.584 0.098 0.000 1.321 97 A CA -0.680 51.442 52.037 0.141 0.000 0.928 97 A CB 0.671 19.665 19.000 -0.011 0.000 1.158 97 A HN 0.374 nan 8.150 nan 0.000 0.542 98 V N 5.382 125.358 119.914 0.103 0.000 2.284 98 V HA 0.162 4.282 4.120 -0.000 0.000 0.260 98 V C 0.788 176.841 176.094 -0.068 0.000 1.084 98 V CA 0.321 62.626 62.300 0.009 0.000 0.894 98 V CB -0.431 31.392 31.823 0.000 0.000 1.119 98 V HN 0.869 nan 8.190 nan 0.000 0.484 99 I N 0.634 121.151 120.570 -0.088 0.000 4.154 99 I HA 0.356 4.526 4.170 -0.000 0.000 0.334 99 I C 1.492 177.549 176.117 -0.098 0.000 1.371 99 I CA 0.234 61.493 61.300 -0.069 0.000 1.110 99 I CB 0.122 38.086 38.000 -0.060 0.000 1.085 99 I HN 0.454 nan 8.210 nan 0.000 0.398 100 N N 1.502 120.109 118.700 -0.155 0.000 2.416 100 N HA -0.044 4.696 4.740 -0.000 0.000 0.177 100 N C 0.468 175.980 175.510 0.004 0.000 1.036 100 N CA 0.760 53.789 53.050 -0.035 0.000 0.901 100 N CB 0.189 38.740 38.487 0.107 0.000 0.976 100 N HN 0.696 nan 8.380 nan 0.000 0.444 101 H N -3.714 115.367 119.070 0.019 0.000 2.948 101 H HA 0.282 4.839 4.556 0.000 0.000 0.315 101 H C -0.607 174.705 175.328 -0.026 0.000 1.360 101 H CA -0.933 55.119 56.048 0.008 0.000 1.125 101 H CB 0.504 30.271 29.762 0.009 0.000 1.844 101 H HN -0.190 nan 8.280 nan 0.000 0.529 102 M N 0.787 120.475 119.600 0.147 0.000 2.325 102 M HA 0.312 4.792 4.480 -0.000 0.000 0.220 102 M C 0.997 177.346 176.300 0.081 0.000 0.728 102 M CA -0.345 54.915 55.300 -0.066 0.000 1.790 102 M CB 0.132 32.429 32.600 -0.505 0.000 1.150 102 M HN 0.870 nan 8.290 nan 0.000 0.887 103 C N -0.025 119.289 119.300 0.024 0.000 2.411 103 C HA 0.795 5.255 4.460 -0.000 0.000 0.358 103 C C 1.005 176.043 174.990 0.080 0.000 1.349 103 C CA -0.958 58.114 59.018 0.090 0.000 2.326 103 C CB -0.534 27.268 27.740 0.104 0.000 2.166 103 C HN 0.837 nan 8.230 nan 0.000 0.609 104 G N 1.631 110.465 108.800 0.056 0.000 2.414 104 G HA2 0.148 4.108 3.960 -0.000 0.000 0.236 104 G HA3 0.148 4.108 3.960 -0.000 0.000 0.236 104 G C 0.942 175.859 174.900 0.030 0.000 1.293 104 G CA 0.293 45.400 45.100 0.011 0.000 0.869 104 G HN 1.045 nan 8.290 nan 0.000 0.556 105 N N 1.609 120.299 118.700 -0.016 0.000 2.364 105 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 105 N C 1.737 177.230 175.510 -0.027 0.000 1.022 105 N CA 1.142 54.173 53.050 -0.032 0.000 0.883 105 N CB -0.008 38.442 38.487 -0.062 0.000 0.965 105 N HN 0.436 nan 8.380 nan 0.000 0.438 106 A N 0.799 123.608 122.820 -0.019 0.000 2.218 106 A HA 0.272 4.592 4.320 -0.000 0.000 0.209 106 A C 0.878 178.461 177.584 -0.001 0.000 1.168 106 A CA -0.310 51.715 52.037 -0.019 0.000 0.804 106 A CB 0.027 19.012 19.000 -0.024 0.000 0.834 106 A HN 0.108 nan 8.150 nan 0.000 0.482 107 V N 1.505 121.440 119.914 0.035 0.000 2.740 107 V HA 0.076 4.196 4.120 -0.000 0.000 0.303 107 V C 0.744 176.837 176.094 -0.002 0.000 1.054 107 V CA 0.006 62.349 62.300 0.071 0.000 1.106 107 V CB 1.239 33.179 31.823 0.195 0.000 0.957 107 V HN 0.427 nan 8.190 nan 0.000 0.486 108 S N 3.359 119.035 115.700 -0.040 0.000 2.564 108 S HA 0.489 4.959 4.470 -0.000 0.000 0.278 108 S C 0.415 174.798 174.600 -0.363 0.000 1.333 108 S CA -0.241 57.873 58.200 -0.143 0.000 1.048 108 S CB 1.097 64.237 63.200 -0.100 0.000 0.900 108 S HN 1.056 nan 8.310 nan 0.000 0.505 109 A N 2.351 124.925 122.820 -0.409 0.000 2.425 109 A HA 0.721 5.041 4.320 -0.000 0.000 0.242 109 A C 0.982 178.202 177.584 -0.606 0.000 1.077 109 A CA 0.432 52.066 52.037 -0.673 0.000 0.781 109 A CB -0.335 18.414 19.000 -0.418 0.000 1.020 109 A HN 1.353 nan 8.150 nan 0.000 0.494 110 G N -0.790 107.513 108.800 -0.829 0.000 2.334 110 G HA2 0.404 4.364 3.960 -0.000 0.000 0.249 110 G HA3 0.404 4.364 3.960 -0.000 0.000 0.249 110 G C -0.034 174.669 174.900 -0.327 0.000 1.327 110 G CA 0.554 45.446 45.100 -0.345 0.000 0.979 110 G HN 1.782 nan 8.290 nan 0.000 0.471 111 T N -2.439 112.099 114.554 -0.026 0.000 3.415 111 T HA 0.545 4.895 4.350 -0.000 0.000 0.282 111 T C 0.556 175.383 174.700 0.211 0.000 1.007 111 T CA 0.896 63.085 62.100 0.148 0.000 0.958 111 T CB 0.702 69.670 68.868 0.166 0.000 1.171 111 T HN 1.170 nan 8.240 nan 0.000 0.500 112 S N 2.693 118.546 115.700 0.255 0.000 4.120 112 S HA 0.490 4.960 4.470 -0.000 0.000 0.196 112 S C 0.286 175.093 174.600 0.345 0.000 1.447 112 S CA -0.543 57.830 58.200 0.288 0.000 0.939 112 S CB -0.913 62.441 63.200 0.257 0.000 1.496 112 S HN 0.774 nan 8.310 nan 0.000 0.460 113 S N 0.922 116.767 115.700 0.241 0.000 2.671 113 S HA 0.421 4.891 4.470 -0.000 0.000 0.299 113 S C 1.067 175.688 174.600 0.035 0.000 1.116 113 S CA -0.387 57.855 58.200 0.070 0.000 0.912 113 S CB 1.038 64.252 63.200 0.024 0.000 1.130 113 S HN 0.442 nan 8.310 nan 0.000 0.501 114 T N -3.239 111.299 114.554 -0.027 0.000 3.113 114 T HA -0.023 4.327 4.350 -0.000 0.000 0.263 114 T C 1.027 175.735 174.700 0.013 0.000 1.143 114 T CA 0.732 62.820 62.100 -0.019 0.000 1.090 114 T CB -0.616 68.221 68.868 -0.052 0.000 0.922 114 T HN 0.625 nan 8.240 nan 0.000 0.521 115 c N 0.742 119.358 118.600 0.026 0.000 3.525 115 c HA 0.668 5.238 4.570 -0.000 0.000 0.289 115 c C 1.958 176.087 174.090 0.065 0.000 1.496 115 c CA -0.106 56.249 56.329 0.043 0.000 1.804 115 c CB -0.913 41.620 42.510 0.037 0.000 2.708 115 c HN 0.865 nan 8.230 nan 0.000 0.642 116 G N 1.779 110.630 108.800 0.085 0.000 2.143 116 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.248 116 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.248 116 G C 0.147 175.132 174.900 0.142 0.000 0.991 116 G CA 0.609 45.777 45.100 0.113 0.000 0.689 116 G HN 0.582 nan 8.290 nan 0.000 0.522 117 S N -0.418 115.367 115.700 0.141 0.000 2.564 117 S HA 0.447 4.917 4.470 -0.000 0.000 0.278 117 S C 0.035 174.808 174.600 0.289 0.000 1.333 117 S CA -0.398 57.905 58.200 0.173 0.000 1.048 117 S CB 0.882 64.149 63.200 0.111 0.000 0.900 117 S HN 0.547 nan 8.310 nan 0.000 0.505 118 Y N 4.208 124.605 120.300 0.160 0.000 2.309 118 Y HA 0.524 5.074 4.550 -0.000 0.000 0.327 118 Y C -0.484 175.556 175.900 0.232 0.000 1.172 118 Y CA -0.716 57.470 58.100 0.143 0.000 1.280 118 Y CB 0.325 38.803 38.460 0.031 0.000 1.234 118 Y HN 0.578 nan 8.280 nan 0.000 0.512 119 F N 3.264 122.618 119.950 -0.994 0.000 2.654 119 F HA 0.456 4.982 4.527 -0.000 0.000 0.308 119 F C -1.913 173.252 175.800 -1.058 0.000 1.108 119 F CA -1.441 56.047 58.000 -0.853 0.000 0.957 119 F CB 1.319 40.059 39.000 -0.434 0.000 1.309 119 F HN 0.412 nan 8.300 nan 0.000 0.446 120 N N 2.928 121.127 118.700 -0.836 0.000 2.648 120 N HA 0.404 5.143 4.740 -0.000 0.000 0.261 120 N C -2.544 172.668 175.510 -0.495 0.000 1.138 120 N CA -2.189 50.487 53.050 -0.624 0.000 0.804 120 N CB 1.919 40.195 38.487 -0.352 0.000 1.237 120 N HN 0.284 nan 8.380 nan 0.000 0.532 121 P HA -0.037 nan 4.420 nan 0.000 0.215 121 P C 1.348 178.546 177.300 -0.170 0.000 1.153 121 P CA 1.177 64.179 63.100 -0.164 0.000 0.853 121 P CB 0.208 31.919 31.700 0.018 0.000 0.788 122 G N 0.052 108.756 108.800 -0.159 0.000 2.469 122 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.219 122 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.219 122 G C 1.449 176.271 174.900 -0.131 0.000 1.150 122 G CA 1.455 46.478 45.100 -0.128 0.000 0.763 122 G HN 0.447 nan 8.290 nan 0.000 0.561 123 S N -1.110 114.505 115.700 -0.141 0.000 2.577 123 S HA 0.332 4.802 4.470 -0.000 0.000 0.219 123 S C 1.044 175.574 174.600 -0.117 0.000 0.962 123 S CA 0.176 58.308 58.200 -0.114 0.000 0.921 123 S CB 0.360 63.514 63.200 -0.077 0.000 0.789 123 S HN 0.240 nan 8.310 nan 0.000 0.497 124 R N 0.551 120.949 120.500 -0.170 0.000 3.531 124 R HA -0.147 4.193 4.340 -0.000 0.000 0.280 124 R C -1.159 175.183 176.300 0.071 0.000 1.130 124 R CA 0.886 56.905 56.100 -0.135 0.000 0.757 124 R CB -2.619 27.608 30.300 -0.122 0.000 1.218 124 R HN 0.664 nan 8.270 nan 0.000 0.454 125 D N -0.513 119.781 120.400 -0.178 0.000 2.349 125 D HA 0.417 5.057 4.640 -0.000 0.000 0.232 125 D C -0.820 175.279 176.300 -0.334 0.000 1.071 125 D CA -0.338 53.633 54.000 -0.048 0.000 0.832 125 D CB 0.423 41.220 40.800 -0.005 0.000 1.086 125 D HN 0.081 nan 8.370 nan 0.000 0.504 126 F N 5.281 125.389 119.950 0.263 0.000 2.550 126 F HA 0.291 4.818 4.527 -0.000 0.000 0.348 126 F C -1.465 174.436 175.800 0.168 0.000 1.219 126 F CA -1.577 56.555 58.000 0.220 0.000 1.203 126 F CB 1.679 40.842 39.000 0.272 0.000 1.436 126 F HN 0.306 nan 8.300 nan 0.000 0.541 127 P HA -0.224 nan 4.420 nan 0.000 0.219 127 P C 1.396 178.779 177.300 0.139 0.000 1.146 127 P CA 1.370 64.587 63.100 0.195 0.000 0.808 127 P CB 0.313 32.133 31.700 0.199 0.000 0.779 128 A N -0.562 122.337 122.820 0.131 0.000 2.168 128 A HA -0.001 4.319 4.320 -0.000 0.000 0.215 128 A C 2.284 179.857 177.584 -0.019 0.000 1.152 128 A CA 0.992 53.064 52.037 0.059 0.000 0.716 128 A CB -1.177 17.853 19.000 0.050 0.000 0.794 128 A HN 0.094 nan 8.150 nan 0.000 0.465 129 V N 0.442 120.316 119.914 -0.067 0.000 2.300 129 V HA 0.029 4.149 4.120 -0.000 0.000 0.241 129 V C -1.459 174.558 176.094 -0.128 0.000 1.034 129 V CA 1.306 63.465 62.300 -0.236 0.000 1.021 129 V CB -0.924 30.495 31.823 -0.675 0.000 0.662 129 V HN 0.476 nan 8.190 nan 0.000 0.458 130 P HA 0.438 nan 4.420 nan 0.000 0.290 130 P C -1.854 175.524 177.300 0.131 0.000 1.283 130 P CA -0.294 62.843 63.100 0.060 0.000 0.869 130 P CB 1.553 33.342 31.700 0.148 0.000 1.100 131 Y N -0.568 119.940 120.300 0.346 0.000 2.545 131 Y HA 0.572 5.122 4.550 0.000 0.000 0.348 131 Y C 0.825 176.990 175.900 0.442 0.000 1.002 131 Y CA -0.498 57.833 58.100 0.384 0.000 1.039 131 Y CB 2.267 40.926 38.460 0.332 0.000 1.271 131 Y HN 0.549 nan 8.280 nan 0.000 0.467 132 S N -1.221 114.847 115.700 0.613 0.000 2.840 132 S HA 0.563 5.033 4.470 -0.000 0.000 0.307 132 S C 0.951 175.812 174.600 0.435 0.000 1.180 132 S CA -0.313 58.161 58.200 0.458 0.000 0.846 132 S CB 1.120 64.540 63.200 0.367 0.000 1.233 132 S HN 0.858 nan 8.310 nan 0.000 0.548 133 G N -0.244 108.627 108.800 0.119 0.000 2.485 133 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.221 133 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.221 133 G C 0.716 175.601 174.900 -0.025 0.000 1.115 133 G CA 0.607 45.697 45.100 -0.016 0.000 0.751 133 G HN 0.765 nan 8.290 nan 0.000 0.567 134 W N 0.675 122.095 121.300 0.200 0.000 2.595 134 W HA 0.165 4.826 4.660 0.000 0.000 0.257 134 W C 1.143 177.713 176.519 0.085 0.000 1.267 134 W CA 0.214 57.632 57.345 0.121 0.000 1.300 134 W CB 0.367 29.871 29.460 0.073 0.000 1.120 134 W HN 0.091 nan 8.180 nan 0.000 0.618 135 D N -0.999 119.538 120.400 0.228 0.000 2.342 135 D HA 0.110 4.750 4.640 -0.000 0.000 0.221 135 D C -0.387 175.581 176.300 -0.552 0.000 1.101 135 D CA 0.369 54.293 54.000 -0.127 0.000 0.837 135 D CB -0.156 40.520 40.800 -0.207 0.000 0.938 135 D HN 0.025 nan 8.370 nan 0.000 0.508 136 F N 0.213 120.179 119.950 0.026 0.000 2.598 136 F HA 0.315 4.842 4.527 0.000 0.000 0.327 136 F C 1.306 177.120 175.800 0.022 0.000 1.057 136 F CA -1.074 56.920 58.000 -0.009 0.000 0.957 136 F CB 0.937 39.933 39.000 -0.008 0.000 1.278 136 F HN -0.374 nan 8.300 nan 0.000 0.484 137 N N 1.088 119.914 118.700 0.211 0.000 2.362 137 N HA -0.024 4.716 4.740 -0.000 0.000 0.211 137 N C 0.687 176.267 175.510 0.116 0.000 1.170 137 N CA 0.282 53.416 53.050 0.139 0.000 0.828 137 N CB -0.308 38.253 38.487 0.123 0.000 1.034 137 N HN 0.531 nan 8.380 nan 0.000 0.475 138 D N 0.179 120.650 120.400 0.119 0.000 2.116 138 D HA -0.149 4.491 4.640 -0.000 0.000 0.193 138 D C 1.748 178.077 176.300 0.048 0.000 0.998 138 D CA 1.281 55.318 54.000 0.061 0.000 0.836 138 D CB -0.235 40.584 40.800 0.032 0.000 0.951 138 D HN 0.352 nan 8.370 nan 0.000 0.449 139 G N 0.114 108.949 108.800 0.059 0.000 2.813 139 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.209 139 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.209 139 G C 1.494 176.429 174.900 0.059 0.000 1.150 139 G CA 0.170 45.302 45.100 0.053 0.000 0.785 139 G HN 0.236 nan 8.290 nan 0.000 0.535 140 K N -0.460 119.983 120.400 0.072 0.000 2.242 140 K HA 0.082 4.402 4.320 -0.000 0.000 0.200 140 K C 0.967 177.610 176.600 0.071 0.000 1.050 140 K CA -0.172 56.160 56.287 0.075 0.000 0.981 140 K CB -0.061 32.496 32.500 0.094 0.000 0.795 140 K HN 0.192 nan 8.250 nan 0.000 0.477 141 c N 2.482 121.120 118.600 0.064 0.000 2.657 141 c HA 0.147 4.717 4.570 -0.000 0.000 0.420 141 c C 0.580 174.691 174.090 0.035 0.000 1.323 141 c CA -0.072 56.287 56.329 0.049 0.000 1.894 141 c CB -0.089 42.442 42.510 0.035 0.000 2.681 141 c HN 0.465 nan 8.230 nan 0.000 0.613 142 K N 2.625 123.043 120.400 0.030 0.000 2.387 142 K HA 0.160 4.480 4.320 -0.000 0.000 0.203 142 K C 0.696 177.303 176.600 0.012 0.000 1.030 142 K CA 0.070 56.371 56.287 0.023 0.000 1.099 142 K CB 0.328 32.845 32.500 0.029 0.000 0.863 142 K HN 0.851 nan 8.250 nan 0.000 0.529 143 T N -2.711 111.846 114.554 0.005 0.000 2.882 143 T HA 0.285 4.635 4.350 -0.000 0.000 0.287 143 T C 1.500 176.198 174.700 -0.003 0.000 1.014 143 T CA -0.389 61.710 62.100 -0.003 0.000 1.049 143 T CB 1.699 70.560 68.868 -0.013 0.000 1.001 143 T HN 0.137 nan 8.240 nan 0.000 0.525 144 G N 0.663 109.460 108.800 -0.004 0.000 2.432 144 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.219 144 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.219 144 G C 1.674 176.569 174.900 -0.009 0.000 1.135 144 G CA 0.861 45.959 45.100 -0.005 0.000 0.767 144 G HN 0.962 nan 8.290 nan 0.000 0.550 145 S N -1.068 114.625 115.700 -0.012 0.000 2.503 145 S HA 0.363 4.833 4.470 -0.000 0.000 0.217 145 S C 1.967 176.554 174.600 -0.021 0.000 0.999 145 S CA 1.018 59.208 58.200 -0.017 0.000 0.914 145 S CB 0.098 63.286 63.200 -0.019 0.000 0.782 145 S HN 1.522 nan 8.310 nan 0.000 0.520 146 G N 0.720 109.509 108.800 -0.017 0.000 2.176 146 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.253 146 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.253 146 G C -0.323 174.562 174.900 -0.026 0.000 0.979 146 G CA 0.303 45.393 45.100 -0.017 0.000 0.641 146 G HN 0.563 nan 8.290 nan 0.000 0.530 147 D N -0.349 120.031 120.400 -0.033 0.000 2.440 147 D HA 0.609 5.249 4.640 -0.000 0.000 0.258 147 D C 0.923 177.191 176.300 -0.054 0.000 1.092 147 D CA -0.637 53.335 54.000 -0.047 0.000 1.016 147 D CB 0.831 41.602 40.800 -0.047 0.000 1.141 147 D HN 0.202 nan 8.370 nan 0.000 0.552 148 I N 1.182 121.706 120.570 -0.077 0.000 2.452 148 I HA 0.036 4.206 4.170 -0.000 0.000 0.287 148 I C 1.210 177.289 176.117 -0.065 0.000 1.079 148 I CA 0.492 61.721 61.300 -0.119 0.000 1.387 148 I CB 0.517 38.387 38.000 -0.216 0.000 1.404 148 I HN 0.297 nan 8.210 nan 0.000 0.522 149 E N 4.254 124.420 120.200 -0.057 0.000 2.485 149 E HA 0.139 4.489 4.350 -0.000 0.000 0.213 149 E C 0.147 176.768 176.600 0.034 0.000 0.923 149 E CA -0.005 56.396 56.400 0.001 0.000 1.054 149 E CB 0.656 30.353 29.700 -0.004 0.000 1.077 149 E HN 0.623 nan 8.360 nan 0.000 0.509 150 N N -0.297 118.395 118.700 -0.013 0.000 2.572 150 N HA 0.067 4.807 4.740 -0.000 0.000 0.287 150 N C -0.776 174.723 175.510 -0.019 0.000 1.136 150 N CA -0.173 52.904 53.050 0.044 0.000 0.900 150 N CB 0.750 39.250 38.487 0.022 0.000 1.484 150 N HN -0.119 nan 8.380 nan 0.000 0.526 151 Y N 2.256 122.553 120.300 -0.005 0.000 2.578 151 Y HA 0.096 4.646 4.550 -0.001 0.000 0.297 151 Y C 1.395 177.284 175.900 -0.018 0.000 1.176 151 Y CA 0.678 58.769 58.100 -0.015 0.000 1.315 151 Y CB -0.024 38.425 38.460 -0.020 0.000 1.031 151 Y HN 0.617 nan 8.280 nan 0.000 0.524 152 N N -0.482 118.276 118.700 0.098 0.000 2.398 152 N HA -0.071 4.669 4.740 -0.000 0.000 0.188 152 N C -0.300 175.224 175.510 0.023 0.000 1.122 152 N CA 0.141 53.225 53.050 0.056 0.000 0.866 152 N CB 0.244 38.761 38.487 0.049 0.000 0.970 152 N HN 0.076 nan 8.380 nan 0.000 0.462 153 D N 0.222 120.619 120.400 -0.004 0.000 2.472 153 D HA 0.284 4.924 4.640 -0.000 0.000 0.234 153 D C 0.625 176.896 176.300 -0.050 0.000 1.088 153 D CA -0.591 53.401 54.000 -0.014 0.000 0.882 153 D CB 0.920 41.710 40.800 -0.016 0.000 1.037 153 D HN 0.077 nan 8.370 nan 0.000 0.520 154 A N 2.869 125.670 122.820 -0.031 0.000 2.024 154 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 154 A C 1.947 179.442 177.584 -0.147 0.000 1.164 154 A CA 1.675 53.656 52.037 -0.093 0.000 0.643 154 A CB -0.388 18.587 19.000 -0.042 0.000 0.806 154 A HN 0.578 nan 8.150 nan 0.000 0.451 155 T N 0.393 114.959 114.554 0.020 0.000 2.770 155 T HA -0.164 4.186 4.350 -0.000 0.000 0.263 155 T C 2.110 176.832 174.700 0.036 0.000 1.039 155 T CA 1.612 63.802 62.100 0.150 0.000 1.142 155 T CB -0.297 68.708 68.868 0.228 0.000 0.868 155 T HN 0.887 nan 8.240 nan 0.000 0.435 156 Q N 0.993 120.781 119.800 -0.021 0.000 2.230 156 Q HA 0.002 4.342 4.340 -0.000 0.000 0.202 156 Q C 2.090 178.012 176.000 -0.130 0.000 0.963 156 Q CA 0.950 56.721 55.803 -0.052 0.000 0.866 156 Q CB -0.644 28.059 28.738 -0.059 0.000 0.931 156 Q HN 0.297 nan 8.270 nan 0.000 0.452 157 V N 0.940 120.725 119.914 -0.215 0.000 2.490 157 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 157 V C 2.064 178.070 176.094 -0.145 0.000 1.061 157 V CA 2.090 64.230 62.300 -0.266 0.000 1.064 157 V CB -0.427 31.188 31.823 -0.347 0.000 0.670 157 V HN 0.297 nan 8.190 nan 0.000 0.461 158 R N -0.408 119.931 120.500 -0.268 0.000 2.175 158 R HA 0.061 4.401 4.340 -0.000 0.000 0.202 158 R C 1.669 177.931 176.300 -0.062 0.000 1.018 158 R CA 0.791 56.695 56.100 -0.327 0.000 1.029 158 R CB -0.146 29.514 30.300 -1.066 0.000 0.959 158 R HN 0.441 nan 8.270 nan 0.000 0.480 159 D N -1.141 119.281 120.400 0.038 0.000 2.367 159 D HA 0.090 4.730 4.640 -0.000 0.000 0.207 159 D C 0.110 176.449 176.300 0.065 0.000 1.034 159 D CA 0.309 54.380 54.000 0.120 0.000 0.861 159 D CB 0.263 41.172 40.800 0.182 0.000 0.943 159 D HN 0.091 nan 8.370 nan 0.000 0.515 160 c N 0.729 119.339 118.600 0.016 0.000 2.354 160 c HA 0.483 5.052 4.570 -0.000 0.000 0.381 160 c C 0.748 174.821 174.090 -0.027 0.000 1.240 160 c CA -0.958 55.368 56.329 -0.005 0.000 2.089 160 c CB 1.239 43.730 42.510 -0.032 0.000 2.234 160 c HN 0.063 nan 8.230 nan 0.000 0.544 161 R N 0.961 121.437 120.500 -0.041 0.000 2.347 161 R HA 0.337 4.676 4.340 -0.000 0.000 0.304 161 R C -0.614 175.608 176.300 -0.131 0.000 1.072 161 R CA -0.471 55.585 56.100 -0.072 0.000 0.980 161 R CB 0.290 30.551 30.300 -0.065 0.000 0.986 161 R HN 0.476 nan 8.270 nan 0.000 0.448 162 L N 4.660 125.755 121.223 -0.213 0.000 2.407 162 L HA -0.001 4.339 4.340 -0.000 0.000 0.282 162 L C 0.259 176.996 176.870 -0.222 0.000 1.110 162 L CA 0.680 55.346 54.840 -0.290 0.000 0.863 162 L CB 0.120 41.866 42.059 -0.522 0.000 1.207 162 L HN 0.928 nan 8.230 nan 0.000 0.454 163 T N 1.748 116.215 114.554 -0.146 0.000 3.558 163 T HA -0.178 4.172 4.350 -0.000 0.000 0.391 163 T C 1.130 175.744 174.700 -0.144 0.000 0.766 163 T CA 1.093 63.114 62.100 -0.131 0.000 1.951 163 T CB -2.389 66.391 68.868 -0.147 0.000 1.743 163 T HN 2.272 nan 8.240 nan 0.000 0.688 164 G N -1.036 107.693 108.800 -0.119 0.000 2.205 164 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.261 164 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.261 164 G C 0.048 174.885 174.900 -0.104 0.000 0.980 164 G CA -0.083 44.956 45.100 -0.101 0.000 0.632 164 G HN 0.937 nan 8.290 nan 0.000 0.533 165 L N 1.606 122.736 121.223 -0.155 0.000 2.477 165 L HA 0.369 4.709 4.340 -0.000 0.000 0.272 165 L C 1.364 178.201 176.870 -0.055 0.000 1.157 165 L CA -0.194 54.551 54.840 -0.157 0.000 0.889 165 L CB 0.398 42.205 42.059 -0.421 0.000 1.158 165 L HN 0.234 nan 8.230 nan 0.000 0.473 166 L N 3.663 124.881 121.223 -0.007 0.000 2.628 166 L HA -0.082 4.258 4.340 -0.000 0.000 0.274 166 L C 0.350 177.353 176.870 0.222 0.000 1.209 166 L CA 0.272 55.123 54.840 0.019 0.000 0.930 166 L CB -0.074 41.865 42.059 -0.201 0.000 1.183 166 L HN 0.563 nan 8.230 nan 0.000 0.492 167 D N 3.841 124.391 120.400 0.250 0.000 2.313 167 D HA 0.338 4.978 4.640 -0.000 0.000 0.239 167 D C -0.263 176.161 176.300 0.207 0.000 1.142 167 D CA -0.335 53.793 54.000 0.213 0.000 0.847 167 D CB 0.813 41.688 40.800 0.124 0.000 1.082 167 D HN 0.245 nan 8.370 nan 0.000 0.480 168 L N 2.438 123.667 121.223 0.009 0.000 2.453 168 L HA 0.251 4.591 4.340 -0.000 0.000 0.272 168 L C 0.723 177.509 176.870 -0.140 0.000 1.182 168 L CA -0.594 54.069 54.840 -0.295 0.000 0.858 168 L CB 0.763 42.603 42.059 -0.365 0.000 1.120 168 L HN 0.483 nan 8.230 nan 0.000 0.474 169 A N 5.321 128.031 122.820 -0.183 0.000 2.915 169 A HA 0.288 4.608 4.320 -0.000 0.000 0.292 169 A C 1.073 178.642 177.584 -0.025 0.000 1.632 169 A CA -0.349 51.665 52.037 -0.038 0.000 1.337 169 A CB -0.504 18.493 19.000 -0.004 0.000 1.111 169 A HN 0.837 nan 8.150 nan 0.000 0.569 170 L N 0.976 122.206 121.223 0.011 0.000 2.633 170 L HA -0.097 4.243 4.340 -0.000 0.000 0.235 170 L C 2.451 179.345 176.870 0.040 0.000 1.163 170 L CA 0.989 55.843 54.840 0.023 0.000 0.859 170 L CB -0.221 41.872 42.059 0.056 0.000 0.973 170 L HN 0.854 nan 8.230 nan 0.000 0.451 171 E N 1.070 121.297 120.200 0.045 0.000 2.442 171 E HA -0.060 4.290 4.350 -0.000 0.000 0.195 171 E C 0.284 176.896 176.600 0.021 0.000 1.030 171 E CA 0.118 56.531 56.400 0.021 0.000 0.869 171 E CB 0.149 29.847 29.700 -0.003 0.000 0.857 171 E HN 0.365 nan 8.360 nan 0.000 0.505 172 K N 1.605 122.027 120.400 0.036 0.000 2.276 172 K HA 0.034 4.354 4.320 -0.000 0.000 0.283 172 K C 0.149 176.787 176.600 0.063 0.000 1.044 172 K CA 0.084 56.406 56.287 0.059 0.000 0.944 172 K CB 1.145 33.703 32.500 0.096 0.000 1.012 172 K HN -0.085 nan 8.250 nan 0.000 0.472 173 D N 1.927 122.367 120.400 0.066 0.000 2.149 173 D HA -0.237 4.403 4.640 -0.000 0.000 0.198 173 D C 1.475 177.828 176.300 0.089 0.000 0.990 173 D CA 1.379 55.414 54.000 0.058 0.000 0.839 173 D CB 0.056 40.887 40.800 0.052 0.000 0.948 173 D HN 0.618 nan 8.370 nan 0.000 0.460 174 Y N 0.329 120.646 120.300 0.028 0.000 2.128 174 Y HA -0.187 4.363 4.550 -0.000 0.000 0.284 174 Y C 2.042 177.994 175.900 0.087 0.000 1.154 174 Y CA 1.368 59.499 58.100 0.052 0.000 1.149 174 Y CB -0.499 38.001 38.460 0.066 0.000 0.976 174 Y HN -0.073 nan 8.280 nan 0.000 0.505 175 V N 0.743 120.670 119.914 0.021 0.000 2.307 175 V HA -0.287 3.833 4.120 -0.000 0.000 0.245 175 V C 2.400 178.448 176.094 -0.077 0.000 1.045 175 V CA 2.223 64.503 62.300 -0.033 0.000 1.024 175 V CB -0.631 31.178 31.823 -0.023 0.000 0.651 175 V HN 0.318 nan 8.190 nan 0.000 0.449 176 R N 0.122 120.589 120.500 -0.055 0.000 2.105 176 R HA -0.149 4.191 4.340 -0.000 0.000 0.239 176 R C 2.524 178.762 176.300 -0.103 0.000 1.135 176 R CA 1.792 57.854 56.100 -0.065 0.000 0.967 176 R CB -0.468 29.811 30.300 -0.036 0.000 0.861 176 R HN 0.459 nan 8.270 nan 0.000 0.442 177 S N 0.393 116.021 115.700 -0.120 0.000 2.406 177 S HA -0.031 4.439 4.470 -0.000 0.000 0.228 177 S C 1.619 176.105 174.600 -0.189 0.000 1.020 177 S CA 0.839 58.959 58.200 -0.132 0.000 0.965 177 S CB 0.071 63.214 63.200 -0.095 0.000 0.798 177 S HN 0.155 nan 8.310 nan 0.000 0.488 178 K N 1.555 121.789 120.400 -0.277 0.000 2.097 178 K HA 0.143 4.463 4.320 -0.000 0.000 0.205 178 K C 1.848 178.308 176.600 -0.233 0.000 1.050 178 K CA 0.860 56.989 56.287 -0.263 0.000 0.938 178 K CB -0.636 31.666 32.500 -0.329 0.000 0.718 178 K HN 0.393 nan 8.250 nan 0.000 0.442 179 I N 0.781 121.225 120.570 -0.209 0.000 2.202 179 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 179 I C 2.315 178.280 176.117 -0.253 0.000 1.091 179 I CA 1.108 62.239 61.300 -0.282 0.000 1.368 179 I CB -0.336 37.558 38.000 -0.177 0.000 1.058 179 I HN 0.019 nan 8.210 nan 0.000 0.410 180 A N 0.139 122.834 122.820 -0.209 0.000 1.933 180 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 180 A C 2.308 179.763 177.584 -0.214 0.000 1.175 180 A CA 1.865 53.773 52.037 -0.216 0.000 0.628 180 A CB -0.643 18.261 19.000 -0.159 0.000 0.814 180 A HN 0.501 nan 8.150 nan 0.000 0.444 181 E N -1.461 118.639 120.200 -0.167 0.000 2.077 181 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 181 E C 1.827 178.374 176.600 -0.087 0.000 0.989 181 E CA 1.578 57.905 56.400 -0.121 0.000 0.800 181 E CB -0.317 29.327 29.700 -0.094 0.000 0.746 181 E HN 0.736 nan 8.360 nan 0.000 0.452 182 Y N 0.867 120.992 120.300 -0.292 0.000 2.133 182 Y HA -0.167 4.383 4.550 -0.000 0.000 0.287 182 Y C 2.064 177.847 175.900 -0.194 0.000 1.134 182 Y CA 1.934 59.860 58.100 -0.290 0.000 1.133 182 Y CB -0.389 37.658 38.460 -0.688 0.000 0.987 182 Y HN 0.006 nan 8.280 nan 0.000 0.502 183 M N 0.124 119.400 119.600 -0.541 0.000 2.175 183 M HA -0.201 4.279 4.480 -0.000 0.000 0.264 183 M C 1.746 177.876 176.300 -0.283 0.000 1.063 183 M CA 1.536 56.468 55.300 -0.613 0.000 1.119 183 M CB -0.393 31.741 32.600 -0.776 0.000 1.377 183 M HN 0.230 nan 8.290 nan 0.000 0.415 184 N N -0.316 118.212 118.700 -0.287 0.000 2.244 184 N HA -0.172 4.568 4.740 -0.000 0.000 0.183 184 N C 1.599 177.034 175.510 -0.126 0.000 1.016 184 N CA 1.245 54.090 53.050 -0.341 0.000 0.866 184 N CB -0.555 37.532 38.487 -0.667 0.000 0.980 184 N HN 0.424 nan 8.380 nan 0.000 0.430 185 H N 0.893 119.868 119.070 -0.159 0.000 2.352 185 H HA 0.059 4.615 4.556 -0.000 0.000 0.299 185 H C 1.964 177.271 175.328 -0.035 0.000 1.097 185 H CA 1.375 57.386 56.048 -0.061 0.000 1.311 185 H CB -0.311 29.428 29.762 -0.038 0.000 1.377 185 H HN 0.117 nan 8.280 nan 0.000 0.504 186 L N -0.606 120.515 121.223 -0.171 0.000 2.072 186 L HA -0.077 4.263 4.340 -0.000 0.000 0.205 186 L C 2.531 179.363 176.870 -0.064 0.000 1.079 186 L CA 0.983 55.728 54.840 -0.158 0.000 0.752 186 L CB -0.292 41.691 42.059 -0.127 0.000 0.906 186 L HN 0.281 nan 8.230 nan 0.000 0.436 187 I N 0.075 120.638 120.570 -0.010 0.000 2.226 187 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 187 I C 1.933 178.074 176.117 0.041 0.000 1.100 187 I CA 1.243 62.540 61.300 -0.005 0.000 1.374 187 I CB -0.320 37.697 38.000 0.027 0.000 1.057 187 I HN 0.265 nan 8.210 nan 0.000 0.413 188 D N 0.676 121.118 120.400 0.070 0.000 2.219 188 D HA -0.081 4.559 4.640 -0.000 0.000 0.205 188 D C 2.181 178.551 176.300 0.117 0.000 0.970 188 D CA 1.081 55.158 54.000 0.129 0.000 0.851 188 D CB -0.082 40.816 40.800 0.163 0.000 0.943 188 D HN 0.360 nan 8.370 nan 0.000 0.488 189 I N -0.395 120.196 120.570 0.036 0.000 2.546 189 I HA -0.065 4.105 4.170 -0.000 0.000 0.255 189 I C 1.618 177.805 176.117 0.117 0.000 1.163 189 I CA 1.153 62.480 61.300 0.044 0.000 1.457 189 I CB 0.141 38.118 38.000 -0.039 0.000 1.092 189 I HN 0.162 nan 8.210 nan 0.000 0.434 190 G N 0.597 109.450 108.800 0.089 0.000 2.234 190 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.153 190 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.153 190 G C 0.317 175.156 174.900 -0.102 0.000 1.013 190 G CA -0.040 45.110 45.100 0.083 0.000 0.712 190 G HN 0.209 nan 8.290 nan 0.000 0.491 191 V N -0.602 119.196 119.914 -0.193 0.000 2.963 191 V HA 0.741 4.861 4.120 -0.000 0.000 0.306 191 V C 1.252 177.087 176.094 -0.432 0.000 1.077 191 V CA 0.960 63.049 62.300 -0.351 0.000 1.124 191 V CB 1.530 33.112 31.823 -0.401 0.000 0.987 191 V HN 1.358 nan 8.190 nan 0.000 0.487 192 A N 2.736 125.230 122.820 -0.543 0.000 2.267 192 A HA 0.775 5.095 4.320 -0.000 0.000 0.213 192 A C 1.130 178.524 177.584 -0.317 0.000 1.192 192 A CA 0.635 52.358 52.037 -0.523 0.000 0.851 192 A CB -0.489 18.266 19.000 -0.408 0.000 0.881 192 A HN 2.074 nan 8.150 nan 0.000 0.494 193 G N -1.892 106.655 108.800 -0.422 0.000 2.340 193 G HA2 0.486 4.446 3.960 -0.000 0.000 0.299 193 G HA3 0.486 4.446 3.960 -0.000 0.000 0.299 193 G C -1.604 172.912 174.900 -0.641 0.000 1.291 193 G CA -0.688 44.298 45.100 -0.189 0.000 0.841 193 G HN 0.203 nan 8.290 nan 0.000 0.500 194 F N -0.529 119.395 119.950 -0.042 0.000 2.613 194 F HA 0.686 5.213 4.527 -0.000 0.000 0.310 194 F C 0.186 175.578 175.800 -0.681 0.000 1.085 194 F CA -0.884 56.972 58.000 -0.239 0.000 0.945 194 F CB 2.522 41.392 39.000 -0.217 0.000 1.298 194 F HN 0.476 nan 8.300 nan 0.000 0.455 195 R N 3.110 123.293 120.500 -0.529 0.000 2.229 195 R HA 0.533 4.873 4.340 -0.000 0.000 0.332 195 R C -1.555 174.576 176.300 -0.281 0.000 0.989 195 R CA -0.404 55.179 56.100 -0.862 0.000 0.842 195 R CB 0.543 30.483 30.300 -0.600 0.000 1.119 195 R HN 0.794 nan 8.270 nan 0.000 0.456 196 L N 4.774 125.860 121.223 -0.228 0.000 2.312 196 L HA 0.155 4.495 4.340 -0.000 0.000 0.287 196 L C 0.115 176.977 176.870 -0.014 0.000 1.091 196 L CA -0.504 54.283 54.840 -0.088 0.000 0.846 196 L CB 0.791 42.802 42.059 -0.080 0.000 1.219 196 L HN 0.657 nan 8.230 nan 0.000 0.439 197 D N 3.642 124.074 120.400 0.055 0.000 2.455 197 D HA 0.267 4.907 4.640 -0.000 0.000 0.241 197 D C 0.867 177.250 176.300 0.139 0.000 1.138 197 D CA 0.597 54.683 54.000 0.144 0.000 0.877 197 D CB 0.918 41.873 40.800 0.258 0.000 1.187 197 D HN 0.724 nan 8.370 nan 0.000 0.451 198 A N 2.818 125.742 122.820 0.174 0.000 2.791 198 A HA -0.229 4.091 4.320 -0.000 0.000 0.292 198 A C 1.783 179.457 177.584 0.150 0.000 1.487 198 A CA 1.104 53.289 52.037 0.246 0.000 0.760 198 A CB -2.111 17.098 19.000 0.347 0.000 1.031 198 A HN 0.445 nan 8.150 nan 0.000 0.503 199 S N -0.602 115.104 115.700 0.009 0.000 2.419 199 S HA -0.136 4.334 4.470 -0.000 0.000 0.233 199 S C 1.824 176.318 174.600 -0.176 0.000 1.016 199 S CA 1.419 59.567 58.200 -0.086 0.000 0.974 199 S CB -0.133 62.938 63.200 -0.215 0.000 0.786 199 S HN 0.850 nan 8.310 nan 0.000 0.492 200 K N 0.754 120.986 120.400 -0.281 0.000 2.281 200 K HA -0.143 4.177 4.320 -0.000 0.000 0.203 200 K C 0.902 177.285 176.600 -0.362 0.000 1.046 200 K CA 1.155 57.240 56.287 -0.336 0.000 0.938 200 K CB -0.119 32.131 32.500 -0.416 0.000 0.737 200 K HN 0.470 nan 8.250 nan 0.000 0.458 201 H N -0.455 118.594 119.070 -0.035 0.000 2.524 201 H HA 0.196 4.751 4.556 -0.000 0.000 0.280 201 H C -0.017 175.251 175.328 -0.099 0.000 1.018 201 H CA 0.279 56.281 56.048 -0.076 0.000 1.165 201 H CB 0.067 29.822 29.762 -0.012 0.000 1.411 201 H HN 0.173 nan 8.280 nan 0.000 0.569 202 M N -0.311 119.291 119.600 0.003 0.000 2.530 202 M HA 0.199 4.679 4.480 -0.000 0.000 0.307 202 M C -1.046 175.255 176.300 0.001 0.000 1.161 202 M CA -0.847 54.468 55.300 0.025 0.000 0.903 202 M CB 2.427 35.099 32.600 0.120 0.000 1.711 202 M HN -0.005 nan 8.290 nan 0.000 0.451 203 W N 2.366 123.709 121.300 0.073 0.000 2.216 203 W HA 0.226 4.886 4.660 -0.000 0.000 0.326 203 W C -1.735 174.759 176.519 -0.041 0.000 1.319 203 W CA -0.924 56.421 57.345 -0.000 0.000 1.213 203 W CB -0.160 29.289 29.460 -0.018 0.000 1.171 203 W HN 0.487 nan 8.180 nan 0.000 0.557 204 P HA -0.224 nan 4.420 nan 0.000 0.216 204 P C 1.714 179.030 177.300 0.028 0.000 1.154 204 P CA 2.530 65.543 63.100 -0.144 0.000 0.865 204 P CB 0.059 31.517 31.700 -0.404 0.000 0.789 205 G N -0.664 108.177 108.800 0.068 0.000 2.422 205 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 205 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 205 G C 1.223 176.158 174.900 0.058 0.000 1.140 205 G CA 0.716 45.843 45.100 0.043 0.000 0.775 205 G HN 0.188 nan 8.290 nan 0.000 0.545 206 D N 0.474 120.944 120.400 0.117 0.000 2.149 206 D HA -0.003 4.637 4.640 -0.000 0.000 0.201 206 D C 2.551 178.891 176.300 0.067 0.000 0.972 206 D CA 0.219 54.277 54.000 0.095 0.000 0.835 206 D CB -0.023 40.872 40.800 0.158 0.000 0.966 206 D HN 0.347 nan 8.370 nan 0.000 0.476 207 I N 0.758 121.381 120.570 0.089 0.000 2.179 207 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 207 I C 2.348 178.481 176.117 0.027 0.000 1.088 207 I CA 1.041 62.378 61.300 0.061 0.000 1.357 207 I CB -0.100 37.969 38.000 0.116 0.000 1.051 207 I HN -0.085 nan 8.210 nan 0.000 0.409 208 K N 1.575 121.996 120.400 0.036 0.000 2.103 208 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 208 K C 2.033 178.634 176.600 0.001 0.000 1.048 208 K CA 1.671 57.969 56.287 0.017 0.000 0.930 208 K CB -0.273 32.242 32.500 0.024 0.000 0.716 208 K HN 0.294 nan 8.250 nan 0.000 0.444 209 A N 0.427 123.249 122.820 0.003 0.000 1.972 209 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 209 A C 2.147 179.718 177.584 -0.022 0.000 1.169 209 A CA 1.535 53.568 52.037 -0.007 0.000 0.635 209 A CB -0.546 18.452 19.000 -0.003 0.000 0.810 209 A HN 0.368 nan 8.150 nan 0.000 0.446 210 I N -0.471 120.080 120.570 -0.031 0.000 2.233 210 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 210 I C 2.231 178.300 176.117 -0.080 0.000 1.093 210 I CA 0.879 62.140 61.300 -0.065 0.000 1.380 210 I CB -0.253 37.698 38.000 -0.081 0.000 1.067 210 I HN 0.264 nan 8.210 nan 0.000 0.413 211 L N 0.260 121.443 121.223 -0.066 0.000 2.131 211 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 211 L C 1.794 178.638 176.870 -0.042 0.000 1.092 211 L CA 1.062 55.862 54.840 -0.066 0.000 0.759 211 L CB -0.696 41.334 42.059 -0.049 0.000 0.903 211 L HN 0.271 nan 8.230 nan 0.000 0.435 212 D N 0.259 120.642 120.400 -0.027 0.000 2.310 212 D HA -0.115 4.525 4.640 -0.000 0.000 0.212 212 D C 1.781 178.077 176.300 -0.008 0.000 0.965 212 D CA 1.011 55.004 54.000 -0.012 0.000 0.879 212 D CB 0.085 40.881 40.800 -0.006 0.000 0.921 212 D HN 0.320 nan 8.370 nan 0.000 0.510 213 K N -0.314 120.071 120.400 -0.025 0.000 2.374 213 K HA 0.082 4.402 4.320 -0.000 0.000 0.196 213 K C 0.019 176.605 176.600 -0.022 0.000 1.023 213 K CA -0.352 55.923 56.287 -0.019 0.000 1.103 213 K CB 0.769 33.241 32.500 -0.047 0.000 0.848 213 K HN -0.037 nan 8.250 nan 0.000 0.528 214 L N 1.199 122.403 121.223 -0.033 0.000 2.375 214 L HA 0.172 4.512 4.340 -0.000 0.000 0.271 214 L C 0.450 177.373 176.870 0.088 0.000 1.107 214 L CA -0.187 54.624 54.840 -0.048 0.000 0.806 214 L CB 0.538 42.559 42.059 -0.064 0.000 1.146 214 L HN 0.134 nan 8.230 nan 0.000 0.447 215 H N 0.952 120.013 119.070 -0.016 0.000 2.603 215 H HA 0.191 4.747 4.556 0.000 0.000 0.370 215 H C -0.076 175.243 175.328 -0.015 0.000 1.225 215 H CA -0.645 55.398 56.048 -0.009 0.000 1.410 215 H CB 0.716 30.478 29.762 0.001 0.000 1.495 215 H HN 0.594 nan 8.280 nan 0.000 0.602 216 N N 0.067 118.836 118.700 0.115 0.000 2.381 216 N HA 0.115 4.855 4.740 -0.000 0.000 0.254 216 N C -0.339 175.184 175.510 0.021 0.000 1.264 216 N CA -0.611 52.462 53.050 0.037 0.000 0.942 216 N CB 0.739 39.238 38.487 0.020 0.000 1.190 216 N HN 0.207 nan 8.380 nan 0.000 0.495 217 L N 0.867 122.046 121.223 -0.074 0.000 2.473 217 L HA 0.045 4.385 4.340 -0.000 0.000 0.268 217 L C 0.732 177.637 176.870 0.059 0.000 1.215 217 L CA -0.161 54.574 54.840 -0.175 0.000 0.823 217 L CB 0.032 41.675 42.059 -0.693 0.000 1.099 217 L HN 0.593 nan 8.230 nan 0.000 0.483 218 N N -0.016 118.801 118.700 0.195 0.000 2.374 218 N HA -0.094 4.646 4.740 -0.000 0.000 0.269 218 N C 1.068 176.783 175.510 0.340 0.000 1.310 218 N CA 0.195 53.429 53.050 0.307 0.000 0.877 218 N CB 0.625 39.382 38.487 0.450 0.000 1.096 218 N HN 0.619 nan 8.380 nan 0.000 0.484 219 S N 2.485 118.280 115.700 0.157 0.000 2.547 219 S HA -0.079 4.391 4.470 -0.000 0.000 0.235 219 S C 1.201 175.810 174.600 0.014 0.000 0.980 219 S CA 0.341 58.602 58.200 0.101 0.000 0.941 219 S CB -0.057 63.166 63.200 0.038 0.000 0.763 219 S HN 0.622 nan 8.310 nan 0.000 0.532 220 N N 0.109 118.763 118.700 -0.077 0.000 2.409 220 N HA 0.027 4.767 4.740 -0.000 0.000 0.179 220 N C 0.571 175.824 175.510 -0.430 0.000 1.032 220 N CA 0.929 53.772 53.050 -0.345 0.000 0.898 220 N CB -0.056 38.041 38.487 -0.651 0.000 0.971 220 N HN 0.633 nan 8.380 nan 0.000 0.441 221 W N -0.716 120.529 121.300 -0.092 0.000 2.661 221 W HA 0.292 4.952 4.660 0.000 0.000 0.288 221 W C -0.317 175.882 176.519 -0.533 0.000 1.014 221 W CA -0.191 56.934 57.345 -0.367 0.000 1.396 221 W CB 0.246 29.331 29.460 -0.624 0.000 0.963 221 W HN -0.188 nan 8.180 nan 0.000 0.584 222 F N 1.729 121.784 119.950 0.175 0.000 2.546 222 F HA 0.481 5.008 4.527 -0.000 0.000 0.320 222 F C -1.774 174.055 175.800 0.049 0.000 1.076 222 F CA -2.654 55.403 58.000 0.096 0.000 0.928 222 F CB 0.430 39.478 39.000 0.081 0.000 1.189 222 F HN -0.431 nan 8.300 nan 0.000 0.465 223 P HA 0.130 nan 4.420 nan 0.000 0.269 223 P C -0.724 176.643 177.300 0.112 0.000 1.215 223 P CA -0.290 62.883 63.100 0.121 0.000 0.780 223 P CB 0.507 32.263 31.700 0.093 0.000 0.898 224 A N 1.754 124.615 122.820 0.069 0.000 2.531 224 A HA 0.411 4.731 4.320 -0.000 0.000 0.236 224 A C 1.501 179.111 177.584 0.044 0.000 1.062 224 A CA 0.728 52.795 52.037 0.050 0.000 0.760 224 A CB -1.312 17.705 19.000 0.029 0.000 0.995 224 A HN 0.923 nan 8.150 nan 0.000 0.501 225 G N 1.326 110.146 108.800 0.034 0.000 2.176 225 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.253 225 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.253 225 G C 0.490 175.404 174.900 0.023 0.000 0.979 225 G CA 0.371 45.486 45.100 0.025 0.000 0.641 225 G HN 1.217 nan 8.290 nan 0.000 0.530 226 S N 1.329 117.047 115.700 0.029 0.000 2.516 226 S HA 0.404 4.874 4.470 -0.000 0.000 0.282 226 S C 0.518 175.096 174.600 -0.037 0.000 1.286 226 S CA 0.193 58.395 58.200 0.004 0.000 1.066 226 S CB 1.012 64.219 63.200 0.011 0.000 0.884 226 S HN 0.421 nan 8.310 nan 0.000 0.491 227 K N 3.807 124.187 120.400 -0.032 0.000 2.138 227 K HA 0.383 4.703 4.320 -0.000 0.000 0.263 227 K C -2.507 174.068 176.600 -0.042 0.000 0.965 227 K CA -2.268 53.999 56.287 -0.032 0.000 0.868 227 K CB 1.011 33.499 32.500 -0.021 0.000 1.083 227 K HN 0.335 nan 8.250 nan 0.000 0.443 228 P HA -0.074 nan 4.420 nan 0.000 0.268 228 P C -0.486 176.877 177.300 0.105 0.000 1.205 228 P CA -0.154 62.947 63.100 0.003 0.000 0.771 228 P CB 0.269 32.017 31.700 0.079 0.000 0.858 229 F N 4.711 124.650 119.950 -0.018 0.000 2.543 229 F HA 0.203 4.730 4.527 0.000 0.000 0.375 229 F C -0.214 175.633 175.800 0.079 0.000 1.075 229 F CA -0.545 57.467 58.000 0.020 0.000 1.225 229 F CB -0.103 38.947 39.000 0.084 0.000 1.099 229 F HN 0.114 nan 8.300 nan 0.000 0.561 230 I N 8.774 129.182 120.570 -0.270 0.000 2.418 230 I HA 0.194 4.364 4.170 -0.000 0.000 0.287 230 I C -1.171 174.707 176.117 -0.399 0.000 1.008 230 I CA -0.764 60.356 61.300 -0.299 0.000 1.104 230 I CB 1.126 39.044 38.000 -0.135 0.000 1.264 230 I HN 0.554 nan 8.210 nan 0.000 0.438 231 Y N 3.413 123.403 120.300 -0.517 0.000 2.361 231 Y HA 0.708 5.258 4.550 -0.000 0.000 0.337 231 Y C -0.588 175.223 175.900 -0.148 0.000 0.965 231 Y CA -1.207 56.678 58.100 -0.358 0.000 1.091 231 Y CB 0.931 39.124 38.460 -0.445 0.000 1.182 231 Y HN 0.480 nan 8.280 nan 0.000 0.450 232 Q N 2.660 122.481 119.800 0.034 0.000 2.257 232 Q HA 0.211 4.551 4.340 -0.000 0.000 0.255 232 Q C -0.668 175.355 176.000 0.038 0.000 0.920 232 Q CA -0.766 55.028 55.803 -0.015 0.000 0.927 232 Q CB 2.057 30.771 28.738 -0.040 0.000 1.229 232 Q HN 0.729 nan 8.270 nan 0.000 0.433 233 E N 3.048 123.274 120.200 0.043 0.000 2.070 233 E HA 0.191 4.541 4.350 -0.000 0.000 0.282 233 E C -1.341 175.282 176.600 0.040 0.000 1.104 233 E CA -0.220 56.272 56.400 0.153 0.000 0.876 233 E CB 0.530 30.342 29.700 0.186 0.000 1.055 233 E HN 0.318 nan 8.360 nan 0.000 0.401 234 V N 7.183 127.138 119.914 0.068 0.000 2.447 234 V HA 0.291 4.411 4.120 -0.000 0.000 0.292 234 V C -0.020 176.090 176.094 0.026 0.000 1.021 234 V CA -0.664 61.581 62.300 -0.092 0.000 0.850 234 V CB 1.450 33.119 31.823 -0.257 0.000 1.005 234 V HN 0.629 nan 8.190 nan 0.000 0.426 235 I N 4.367 124.846 120.570 -0.151 0.000 2.308 235 I HA 0.307 4.477 4.170 -0.000 0.000 0.293 235 I C -0.275 175.775 176.117 -0.110 0.000 1.078 235 I CA 0.336 61.468 61.300 -0.279 0.000 1.292 235 I CB 0.631 38.303 38.000 -0.547 0.000 1.423 235 I HN 0.561 nan 8.210 nan 0.000 0.493 236 D N 7.994 128.398 120.400 0.007 0.000 2.408 236 D HA 0.399 5.039 4.640 -0.000 0.000 0.261 236 D C -0.385 175.945 176.300 0.050 0.000 1.190 236 D CA -0.279 53.736 54.000 0.024 0.000 0.910 236 D CB 0.700 41.532 40.800 0.054 0.000 1.097 236 D HN 0.260 nan 8.370 nan 0.000 0.522 237 L N 1.176 122.412 121.223 0.021 0.000 2.891 237 L HA 0.698 5.038 4.340 -0.000 0.000 0.216 237 L C 1.701 178.594 176.870 0.038 0.000 1.209 237 L CA -1.080 53.785 54.840 0.041 0.000 0.957 237 L CB 0.057 42.129 42.059 0.021 0.000 1.876 237 L HN 0.319 nan 8.230 nan 0.000 0.532 238 G N -1.713 107.110 108.800 0.039 0.000 2.535 238 G HA2 0.382 4.342 3.960 -0.000 0.000 0.282 238 G HA3 0.382 4.342 3.960 -0.000 0.000 0.282 238 G C 0.707 175.617 174.900 0.017 0.000 1.350 238 G CA 0.006 45.124 45.100 0.031 0.000 1.039 238 G HN 0.989 nan 8.290 nan 0.000 0.509 239 G N -1.632 107.177 108.800 0.016 0.000 2.180 239 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.263 239 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.263 239 G C 0.268 175.178 174.900 0.017 0.000 0.989 239 G CA 1.093 46.201 45.100 0.013 0.000 0.692 239 G HN 0.719 nan 8.290 nan 0.000 0.526 240 E N -0.444 119.768 120.200 0.021 0.000 2.235 240 E HA 0.429 4.779 4.350 -0.000 0.000 0.265 240 E C -1.171 175.446 176.600 0.028 0.000 0.940 240 E CA -1.726 54.693 56.400 0.032 0.000 0.819 240 E CB 1.727 31.450 29.700 0.039 0.000 1.206 240 E HN 0.066 nan 8.360 nan 0.000 0.409 241 P HA -0.010 nan 4.420 nan 0.000 0.223 241 P C 0.154 177.464 177.300 0.016 0.000 1.151 241 P CA 0.917 64.030 63.100 0.021 0.000 0.787 241 P CB 0.371 32.084 31.700 0.021 0.000 0.788 242 I N 0.573 121.153 120.570 0.018 0.000 2.342 242 I HA 0.144 4.314 4.170 -0.000 0.000 0.291 242 I C 0.534 176.677 176.117 0.045 0.000 1.010 242 I CA -0.410 60.906 61.300 0.027 0.000 1.308 242 I CB 0.840 38.850 38.000 0.017 0.000 1.400 242 I HN -0.249 nan 8.210 nan 0.000 0.488 243 K N 3.668 124.099 120.400 0.050 0.000 2.203 243 K HA 0.315 4.635 4.320 -0.000 0.000 0.251 243 K C 0.872 177.519 176.600 0.078 0.000 0.944 243 K CA -0.571 55.737 56.287 0.034 0.000 0.829 243 K CB 1.760 34.250 32.500 -0.016 0.000 1.125 243 K HN 0.624 nan 8.250 nan 0.000 0.430 244 S N -0.159 115.576 115.700 0.058 0.000 2.447 244 S HA -0.192 4.278 4.470 -0.000 0.000 0.233 244 S C 1.808 176.342 174.600 -0.110 0.000 1.006 244 S CA 1.364 59.623 58.200 0.097 0.000 0.957 244 S CB -0.450 62.831 63.200 0.135 0.000 0.773 244 S HN 0.668 nan 8.310 nan 0.000 0.507 245 S N 2.243 117.670 115.700 -0.455 0.000 2.442 245 S HA -0.146 4.324 4.470 -0.000 0.000 0.236 245 S C 1.169 175.336 174.600 -0.722 0.000 1.007 245 S CA 1.098 58.529 58.200 -1.283 0.000 0.965 245 S CB -0.642 62.109 63.200 -0.748 0.000 0.773 245 S HN 0.436 nan 8.310 nan 0.000 0.504 246 D N 0.550 120.785 120.400 -0.274 0.000 2.351 246 D HA -0.028 4.611 4.640 -0.000 0.000 0.216 246 D C 0.535 176.666 176.300 -0.282 0.000 0.968 246 D CA 0.912 54.766 54.000 -0.244 0.000 0.899 246 D CB -0.281 40.359 40.800 -0.266 0.000 0.907 246 D HN 0.637 nan 8.370 nan 0.000 0.514 247 Y N -1.133 119.120 120.300 -0.077 0.000 2.467 247 Y HA 0.136 4.686 4.550 -0.000 0.000 0.250 247 Y C 1.438 177.494 175.900 0.260 0.000 1.155 247 Y CA -0.487 57.662 58.100 0.081 0.000 1.249 247 Y CB 0.021 38.537 38.460 0.093 0.000 1.146 247 Y HN -0.174 nan 8.280 nan 0.000 0.524 248 F N 0.017 120.100 119.950 0.222 0.000 2.202 248 F HA -0.089 4.438 4.527 0.000 0.000 0.301 248 F C 2.317 178.276 175.800 0.265 0.000 1.082 248 F CA 1.111 59.242 58.000 0.217 0.000 1.313 248 F CB -1.228 37.851 39.000 0.131 0.000 1.024 248 F HN 0.125 nan 8.300 nan 0.000 0.495 249 G N -0.715 108.309 108.800 0.373 0.000 2.625 249 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.214 249 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.214 249 G C 1.514 176.552 174.900 0.229 0.000 1.132 249 G CA 0.490 45.761 45.100 0.285 0.000 0.782 249 G HN 0.264 nan 8.290 nan 0.000 0.538 250 N N 0.066 118.902 118.700 0.226 0.000 2.414 250 N HA 0.247 4.987 4.740 -0.000 0.000 0.177 250 N C 1.117 176.624 175.510 -0.006 0.000 1.062 250 N CA 1.023 54.136 53.050 0.106 0.000 0.890 250 N CB 1.161 39.735 38.487 0.146 0.000 1.070 250 N HN 0.422 nan 8.380 nan 0.000 0.454 251 G N -0.271 108.599 108.800 0.117 0.000 2.368 251 G HA2 0.133 4.093 3.960 -0.000 0.000 0.269 251 G HA3 0.133 4.093 3.960 -0.000 0.000 0.269 251 G C -1.311 173.773 174.900 0.307 0.000 1.291 251 G CA -0.876 44.218 45.100 -0.010 0.000 0.903 251 G HN -0.056 nan 8.290 nan 0.000 0.483 252 R N -0.938 119.690 120.500 0.213 0.000 2.649 252 R HA 0.603 4.943 4.340 -0.000 0.000 0.270 252 R C 0.029 176.444 176.300 0.191 0.000 1.105 252 R CA 0.016 56.238 56.100 0.203 0.000 1.193 252 R CB 1.294 31.688 30.300 0.156 0.000 1.120 252 R HN 1.024 nan 8.270 nan 0.000 0.561 253 V N -2.521 117.513 119.914 0.200 0.000 2.876 253 V HA 0.419 4.539 4.120 -0.000 0.000 0.312 253 V C 0.033 176.236 176.094 0.181 0.000 1.085 253 V CA -1.098 61.326 62.300 0.206 0.000 0.945 253 V CB 1.802 33.790 31.823 0.275 0.000 1.017 253 V HN 0.914 nan 8.190 nan 0.000 0.428 254 T N -0.000 114.680 114.554 0.211 0.000 2.834 254 T HA 0.390 4.740 4.350 -0.000 0.000 0.298 254 T C -0.081 174.710 174.700 0.152 0.000 0.966 254 T CA 0.048 62.276 62.100 0.213 0.000 1.141 254 T CB 0.868 69.894 68.868 0.263 0.000 0.905 254 T HN 1.024 nan 8.240 nan 0.000 0.535 255 E N 2.500 122.677 120.200 -0.039 0.000 2.042 255 E HA 0.306 4.656 4.350 -0.000 0.000 0.260 255 E C -0.406 175.997 176.600 -0.329 0.000 0.975 255 E CA -1.168 55.166 56.400 -0.111 0.000 0.799 255 E CB -0.546 29.074 29.700 -0.135 0.000 1.131 255 E HN 0.667 nan 8.360 nan 0.000 0.423 256 F N 2.448 122.324 119.950 -0.123 0.000 2.604 256 F HA 0.028 4.555 4.527 0.000 0.000 0.298 256 F C 1.631 177.313 175.800 -0.198 0.000 1.131 256 F CA 0.707 58.624 58.000 -0.138 0.000 1.457 256 F CB 0.193 39.211 39.000 0.030 0.000 1.095 256 F HN 0.372 nan 8.300 nan 0.000 0.574 257 K N -1.113 119.214 120.400 -0.122 0.000 2.365 257 K HA -0.177 4.143 4.320 -0.000 0.000 0.199 257 K C 1.639 177.971 176.600 -0.446 0.000 1.045 257 K CA 0.786 56.957 56.287 -0.195 0.000 0.962 257 K CB -0.300 32.099 32.500 -0.168 0.000 0.759 257 K HN 0.273 nan 8.250 nan 0.000 0.469 258 Y N 1.386 121.188 120.300 -0.830 0.000 2.070 258 Y HA -0.203 4.347 4.550 -0.000 0.000 0.279 258 Y C 2.460 178.227 175.900 -0.222 0.000 1.134 258 Y CA 2.055 59.710 58.100 -0.742 0.000 1.113 258 Y CB -0.660 37.382 38.460 -0.697 0.000 0.981 258 Y HN 0.034 nan 8.280 nan 0.000 0.487 259 G N -0.670 108.078 108.800 -0.087 0.000 2.422 259 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 259 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 259 G C 1.754 176.636 174.900 -0.030 0.000 1.140 259 G CA 0.811 45.889 45.100 -0.038 0.000 0.775 259 G HN 0.618 nan 8.290 nan 0.000 0.545 260 A N 0.863 123.679 122.820 -0.006 0.000 1.877 260 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 260 A C 2.371 179.978 177.584 0.038 0.000 1.186 260 A CA 1.892 53.950 52.037 0.035 0.000 0.620 260 A CB -0.241 18.805 19.000 0.078 0.000 0.822 260 A HN 0.195 nan 8.150 nan 0.000 0.443 261 K N -0.797 119.665 120.400 0.103 0.000 2.167 261 K HA 0.045 4.365 4.320 -0.000 0.000 0.203 261 K C 1.794 178.395 176.600 0.001 0.000 1.052 261 K CA 0.685 57.096 56.287 0.206 0.000 0.956 261 K CB -0.774 32.036 32.500 0.517 0.000 0.735 261 K HN 0.407 nan 8.250 nan 0.000 0.451 262 L N 0.815 121.962 121.223 -0.126 0.000 2.093 262 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 262 L C 2.019 178.674 176.870 -0.359 0.000 1.085 262 L CA 1.924 56.492 54.840 -0.452 0.000 0.755 262 L CB -1.019 40.765 42.059 -0.459 0.000 0.904 262 L HN 0.224 nan 8.230 nan 0.000 0.435 263 G N -1.709 106.946 108.800 -0.243 0.000 2.421 263 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.216 263 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.216 263 G C 1.540 176.187 174.900 -0.421 0.000 1.171 263 G CA 1.372 46.294 45.100 -0.296 0.000 0.775 263 G HN 0.496 nan 8.290 nan 0.000 0.543 264 T N -0.814 113.551 114.554 -0.314 0.000 2.821 264 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 264 T C 2.292 176.886 174.700 -0.177 0.000 1.046 264 T CA 1.478 63.421 62.100 -0.262 0.000 1.139 264 T CB -0.450 68.443 68.868 0.042 0.000 0.871 264 T HN 0.010 nan 8.240 nan 0.000 0.454 265 V N 1.361 121.170 119.914 -0.174 0.000 2.307 265 V HA -0.015 4.105 4.120 -0.000 0.000 0.245 265 V C 2.695 178.618 176.094 -0.285 0.000 1.045 265 V CA 1.559 63.742 62.300 -0.195 0.000 1.024 265 V CB -0.552 31.079 31.823 -0.319 0.000 0.651 265 V HN 0.493 nan 8.190 nan 0.000 0.449 266 I N -0.626 119.724 120.570 -0.366 0.000 2.546 266 I HA -0.140 4.030 4.170 -0.000 0.000 0.255 266 I C 2.480 178.436 176.117 -0.268 0.000 1.163 266 I CA 1.175 62.268 61.300 -0.345 0.000 1.457 266 I CB -0.248 37.530 38.000 -0.371 0.000 1.092 266 I HN 0.192 nan 8.210 nan 0.000 0.434 267 R N 0.993 121.295 120.500 -0.331 0.000 2.299 267 R HA 0.043 4.383 4.340 -0.000 0.000 0.197 267 R C 0.223 176.481 176.300 -0.070 0.000 0.971 267 R CA 0.127 56.041 56.100 -0.310 0.000 1.030 267 R CB 0.081 29.871 30.300 -0.849 0.000 0.932 267 R HN 0.175 nan 8.270 nan 0.000 0.477 268 K N -0.467 119.888 120.400 -0.074 0.000 3.117 268 K HA -0.162 4.158 4.320 -0.000 0.000 0.269 268 K C -1.097 175.642 176.600 0.232 0.000 1.098 268 K CA 0.386 56.696 56.287 0.038 0.000 0.785 268 K CB -1.161 31.347 32.500 0.013 0.000 1.242 268 K HN 0.140 nan 8.250 nan 0.000 0.491 269 W N 2.512 123.799 121.300 -0.020 0.000 2.238 269 W HA 0.095 4.755 4.660 0.001 0.000 0.321 269 W C 1.037 177.565 176.519 0.016 0.000 1.293 269 W CA 0.134 57.478 57.345 -0.002 0.000 1.204 269 W CB -0.353 29.110 29.460 0.004 0.000 1.167 269 W HN 0.465 nan 8.180 nan 0.000 0.553 270 N N 0.440 119.257 118.700 0.195 0.000 2.705 270 N HA -0.212 4.528 4.740 -0.000 0.000 0.255 270 N C 0.661 176.241 175.510 0.117 0.000 1.008 270 N CA 1.483 54.599 53.050 0.110 0.000 0.742 270 N CB -1.308 37.235 38.487 0.092 0.000 0.906 270 N HN 1.128 nan 8.380 nan 0.000 0.541 271 G N -1.919 106.945 108.800 0.107 0.000 2.184 271 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.264 271 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.264 271 G C -0.120 174.853 174.900 0.121 0.000 0.975 271 G CA 0.501 45.663 45.100 0.103 0.000 0.642 271 G HN 0.785 nan 8.290 nan 0.000 0.536 272 E N 0.833 121.116 120.200 0.137 0.000 2.383 272 E HA 0.469 4.819 4.350 -0.000 0.000 0.264 272 E C 0.478 177.021 176.600 -0.095 0.000 1.050 272 E CA 0.396 56.876 56.400 0.134 0.000 0.896 272 E CB 0.614 30.426 29.700 0.187 0.000 0.982 272 E HN 0.684 nan 8.360 nan 0.000 0.424 273 K N 1.106 121.305 120.400 -0.335 0.000 2.536 273 K HA 0.331 4.650 4.320 -0.000 0.000 0.269 273 K C 0.436 176.820 176.600 -0.360 0.000 0.965 273 K CA -0.842 55.205 56.287 -0.400 0.000 0.860 273 K CB 1.055 33.251 32.500 -0.507 0.000 1.423 273 K HN 0.304 nan 8.250 nan 0.000 0.438 274 M N 1.183 120.598 119.600 -0.308 0.000 2.358 274 M HA -0.151 4.329 4.480 -0.000 0.000 0.264 274 M C 1.754 178.010 176.300 -0.075 0.000 1.064 274 M CA 1.956 57.080 55.300 -0.293 0.000 1.093 274 M CB -0.353 32.038 32.600 -0.350 0.000 1.401 274 M HN 0.863 nan 8.290 nan 0.000 0.440 275 S N -0.337 115.326 115.700 -0.062 0.000 2.442 275 S HA -0.155 4.315 4.470 -0.000 0.000 0.236 275 S C 1.522 176.328 174.600 0.343 0.000 1.007 275 S CA 0.835 59.149 58.200 0.190 0.000 0.965 275 S CB -0.716 62.521 63.200 0.062 0.000 0.773 275 S HN 0.429 nan 8.310 nan 0.000 0.504 276 Y N 1.735 122.121 120.300 0.142 0.000 2.509 276 Y HA 0.274 4.823 4.550 -0.000 0.000 0.293 276 Y C 1.791 177.833 175.900 0.238 0.000 1.133 276 Y CA -0.676 57.533 58.100 0.182 0.000 1.283 276 Y CB -0.839 37.759 38.460 0.230 0.000 1.001 276 Y HN 0.297 nan 8.280 nan 0.000 0.555 277 L N -0.131 121.200 121.223 0.180 0.000 2.622 277 L HA -0.110 4.230 4.340 -0.000 0.000 0.233 277 L C 2.296 179.015 176.870 -0.252 0.000 1.156 277 L CA 0.533 55.293 54.840 -0.132 0.000 0.866 277 L CB -0.374 41.388 42.059 -0.495 0.000 0.980 277 L HN 0.116 nan 8.230 nan 0.000 0.448 278 K N 1.785 121.912 120.400 -0.454 0.000 2.044 278 K HA -0.205 4.115 4.320 -0.000 0.000 0.210 278 K C 1.160 177.474 176.600 -0.477 0.000 1.049 278 K CA 1.944 57.613 56.287 -1.030 0.000 0.927 278 K CB 0.058 32.152 32.500 -0.678 0.000 0.713 278 K HN 0.444 nan 8.250 nan 0.000 0.443 279 N N -0.469 118.148 118.700 -0.140 0.000 2.380 279 N HA -0.068 4.672 4.740 -0.000 0.000 0.255 279 N C -0.612 174.917 175.510 0.031 0.000 1.158 279 N CA -0.472 52.547 53.050 -0.051 0.000 0.878 279 N CB -0.556 37.926 38.487 -0.008 0.000 1.138 279 N HN 0.255 nan 8.380 nan 0.000 0.509 280 W N 1.509 122.556 121.300 -0.421 0.000 2.314 280 W HA 0.315 4.975 4.660 -0.000 0.000 0.339 280 W C 0.473 176.596 176.519 -0.660 0.000 1.293 280 W CA 1.938 58.766 57.345 -0.861 0.000 1.288 280 W CB 0.358 29.265 29.460 -0.920 0.000 1.186 280 W HN 0.448 nan 8.180 nan 0.000 0.566 281 G N 3.974 111.995 108.800 -1.297 0.000 2.301 281 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.194 281 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.194 281 G C 0.284 174.752 174.900 -0.720 0.000 1.266 281 G CA 0.037 44.517 45.100 -1.033 0.000 1.210 281 G HN 0.450 nan 8.290 nan 0.000 0.524 282 E N 0.564 120.629 120.200 -0.225 0.000 2.160 282 E HA 0.021 4.371 4.350 -0.000 0.000 0.195 282 E C 2.515 179.017 176.600 -0.165 0.000 0.991 282 E CA 1.843 58.192 56.400 -0.085 0.000 0.810 282 E CB -0.532 29.190 29.700 0.037 0.000 0.742 282 E HN 0.810 nan 8.360 nan 0.000 0.466 283 G N -0.402 108.299 108.800 -0.165 0.000 2.479 283 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 283 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 283 G C 0.504 175.286 174.900 -0.196 0.000 1.115 283 G CA 0.434 45.459 45.100 -0.125 0.000 0.757 283 G HN 0.265 nan 8.290 nan 0.000 0.560 284 W N -0.075 120.804 121.300 -0.703 0.000 3.353 284 W HA 0.440 5.100 4.660 -0.000 0.000 0.304 284 W C 1.619 177.766 176.519 -0.620 0.000 1.273 284 W CA -0.289 56.566 57.345 -0.817 0.000 1.773 284 W CB 0.012 28.581 29.460 -1.485 0.000 1.095 284 W HN 0.307 nan 8.180 nan 0.000 0.676 285 G N -0.518 108.138 108.800 -0.240 0.000 2.132 285 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.228 285 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.228 285 G C -0.034 174.976 174.900 0.184 0.000 1.000 285 G CA -0.575 44.508 45.100 -0.029 0.000 0.693 285 G HN -0.017 nan 8.290 nan 0.000 0.515 286 F N 0.189 120.106 119.950 -0.054 0.000 2.368 286 F HA 0.632 5.159 4.527 -0.000 0.000 0.315 286 F C 1.438 177.301 175.800 0.106 0.000 1.145 286 F CA -1.410 56.568 58.000 -0.036 0.000 1.095 286 F CB 0.457 39.292 39.000 -0.275 0.000 1.286 286 F HN 0.325 nan 8.300 nan 0.000 0.530 287 V N -0.349 119.805 119.914 0.399 0.000 3.237 287 V HA 0.293 4.413 4.120 -0.000 0.000 0.305 287 V C -2.501 173.768 176.094 0.291 0.000 1.096 287 V CA -1.823 60.700 62.300 0.372 0.000 1.130 287 V CB -0.381 31.690 31.823 0.413 0.000 1.048 287 V HN 0.510 nan 8.190 nan 0.000 0.484 288 P HA 0.090 nan 4.420 nan 0.000 0.266 288 P C 0.982 178.209 177.300 -0.122 0.000 1.195 288 P CA 0.551 63.654 63.100 0.005 0.000 0.768 288 P CB 0.775 32.399 31.700 -0.127 0.000 0.838 289 S N 2.574 118.171 115.700 -0.170 0.000 2.380 289 S HA -0.217 4.253 4.470 -0.000 0.000 0.229 289 S C 1.283 175.654 174.600 -0.382 0.000 1.043 289 S CA 2.069 59.946 58.200 -0.539 0.000 1.038 289 S CB -0.922 62.067 63.200 -0.352 0.000 0.872 289 S HN 0.639 nan 8.310 nan 0.000 0.456 290 D N -0.509 119.732 120.400 -0.264 0.000 2.363 290 D HA -0.005 4.635 4.640 -0.000 0.000 0.226 290 D C 1.321 177.472 176.300 -0.248 0.000 1.020 290 D CA 0.261 54.123 54.000 -0.230 0.000 0.892 290 D CB -0.214 40.454 40.800 -0.220 0.000 0.900 290 D HN 0.259 nan 8.370 nan 0.000 0.531 291 R N -0.192 120.130 120.500 -0.296 0.000 2.535 291 R HA 0.451 4.791 4.340 -0.000 0.000 0.323 291 R C -0.128 176.103 176.300 -0.115 0.000 0.979 291 R CA -0.229 55.705 56.100 -0.276 0.000 1.120 291 R CB 0.774 30.631 30.300 -0.738 0.000 1.306 291 R HN 0.181 nan 8.270 nan 0.000 0.540 292 A N 1.465 124.194 122.820 -0.153 0.000 2.305 292 A HA 0.551 4.871 4.320 -0.000 0.000 0.322 292 A C -0.690 176.853 177.584 -0.069 0.000 1.187 292 A CA -0.478 51.492 52.037 -0.113 0.000 0.825 292 A CB 1.013 19.858 19.000 -0.258 0.000 1.164 292 A HN 0.115 nan 8.150 nan 0.000 0.498 293 L N 5.058 126.272 121.223 -0.014 0.000 2.294 293 L HA 0.625 4.965 4.340 -0.000 0.000 0.283 293 L C -0.410 176.441 176.870 -0.031 0.000 1.015 293 L CA -0.331 54.509 54.840 0.000 0.000 0.831 293 L CB 0.829 42.860 42.059 -0.046 0.000 1.217 293 L HN 0.679 nan 8.230 nan 0.000 0.420 294 V N 3.103 122.921 119.914 -0.160 0.000 2.994 294 V HA 0.837 4.957 4.120 -0.000 0.000 0.318 294 V C -0.670 175.312 176.094 -0.187 0.000 1.085 294 V CA -0.610 61.412 62.300 -0.462 0.000 0.998 294 V CB 1.878 33.097 31.823 -1.005 0.000 1.063 294 V HN 0.714 nan 8.190 nan 0.000 0.447 295 F N -0.801 118.952 119.950 -0.328 0.000 2.770 295 F HA 0.757 5.284 4.527 -0.000 0.000 0.313 295 F C -0.023 175.787 175.800 0.016 0.000 1.154 295 F CA -0.866 57.045 58.000 -0.148 0.000 0.923 295 F CB 0.689 39.602 39.000 -0.145 0.000 1.301 295 F HN 0.242 nan 8.300 nan 0.000 0.449 296 V N 0.001 120.039 119.914 0.205 0.000 2.426 296 V HA 0.068 4.188 4.120 -0.000 0.000 0.242 296 V C 0.031 176.287 176.094 0.269 0.000 1.036 296 V CA 1.897 64.305 62.300 0.180 0.000 1.044 296 V CB -0.408 31.485 31.823 0.117 0.000 0.688 296 V HN 0.909 nan 8.190 nan 0.000 0.462 297 D N -0.308 120.334 120.400 0.402 0.000 2.581 297 D HA 0.303 4.943 4.640 -0.000 0.000 0.232 297 D C -1.044 175.453 176.300 0.328 0.000 1.143 297 D CA -0.604 53.620 54.000 0.372 0.000 0.881 297 D CB 1.882 42.856 40.800 0.289 0.000 1.500 297 D HN 0.280 nan 8.370 nan 0.000 0.458 298 N N -1.502 117.297 118.700 0.166 0.000 2.577 298 N HA 0.091 4.831 4.740 -0.000 0.000 0.285 298 N C 1.191 176.597 175.510 -0.173 0.000 1.309 298 N CA -0.507 52.502 53.050 -0.069 0.000 0.798 298 N CB 0.529 38.824 38.487 -0.319 0.000 1.463 298 N HN 0.598 nan 8.380 nan 0.000 0.518 299 H N -0.921 117.940 119.070 -0.349 0.000 2.457 299 H HA -0.068 4.488 4.556 -0.000 0.000 0.297 299 H C -0.216 174.686 175.328 -0.709 0.000 1.092 299 H CA 1.406 56.973 56.048 -0.801 0.000 1.309 299 H CB -0.002 28.985 29.762 -1.292 0.000 1.382 299 H HN 0.523 nan 8.280 nan 0.000 0.535 300 D N 1.348 121.175 120.400 -0.956 0.000 2.146 300 D HA -0.115 4.525 4.640 -0.000 0.000 0.209 300 D C 1.877 178.087 176.300 -0.150 0.000 0.973 300 D CA 1.301 54.970 54.000 -0.551 0.000 0.860 300 D CB -0.196 40.387 40.800 -0.362 0.000 1.015 300 D HN 0.565 nan 8.370 nan 0.000 0.465 301 N N 1.134 119.810 118.700 -0.039 0.000 2.461 301 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 301 N C 1.426 177.001 175.510 0.110 0.000 1.134 301 N CA 0.476 53.583 53.050 0.095 0.000 0.878 301 N CB -0.528 38.071 38.487 0.186 0.000 0.972 301 N HN 0.340 nan 8.380 nan 0.000 0.456 302 Q N 0.512 120.344 119.800 0.054 0.000 2.378 302 Q HA -0.007 4.333 4.340 -0.000 0.000 0.205 302 Q C 0.693 176.847 176.000 0.258 0.000 0.954 302 Q CA 0.514 56.401 55.803 0.141 0.000 0.901 302 Q CB -0.109 28.699 28.738 0.118 0.000 0.981 302 Q HN 0.516 nan 8.270 nan 0.000 0.483 303 R N -0.422 120.166 120.500 0.146 0.000 2.700 303 R HA 0.442 4.782 4.340 -0.000 0.000 0.377 303 R C 0.567 177.037 176.300 0.282 0.000 1.130 303 R CA 0.046 56.286 56.100 0.233 0.000 1.055 303 R CB 0.289 30.522 30.300 -0.113 0.000 1.387 303 R HN 0.218 nan 8.270 nan 0.000 0.580 304 G N 1.168 110.104 108.800 0.228 0.000 2.175 304 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.265 304 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.265 304 G C 0.410 175.378 174.900 0.114 0.000 0.979 304 G CA 0.515 45.718 45.100 0.173 0.000 0.663 304 G HN 0.642 nan 8.290 nan 0.000 0.533 305 H N 0.546 119.671 119.070 0.093 0.000 2.592 305 H HA 0.402 4.958 4.556 0.000 0.000 0.291 305 H C 1.358 176.704 175.328 0.030 0.000 1.052 305 H CA 1.112 57.221 56.048 0.101 0.000 1.175 305 H CB 0.244 30.136 29.762 0.217 0.000 1.378 305 H HN 0.711 nan 8.280 nan 0.000 0.576 306 G N -0.849 108.006 108.800 0.091 0.000 2.561 306 G HA2 0.410 4.370 3.960 -0.000 0.000 0.310 306 G HA3 0.410 4.370 3.960 -0.000 0.000 0.310 306 G C -1.228 173.681 174.900 0.015 0.000 1.292 306 G CA -0.289 44.823 45.100 0.020 0.000 0.811 306 G HN 0.237 nan 8.290 nan 0.000 0.482 307 A N -0.855 121.932 122.820 -0.055 0.000 2.561 307 A HA 0.527 4.847 4.320 -0.000 0.000 0.251 307 A C 1.541 179.201 177.584 0.127 0.000 1.062 307 A CA 1.831 53.857 52.037 -0.018 0.000 0.761 307 A CB -0.567 18.332 19.000 -0.168 0.000 0.986 307 A HN 2.766 nan 8.150 nan 0.000 0.510 308 G N 1.534 110.391 108.800 0.095 0.000 2.436 308 G HA2 0.169 4.129 3.960 -0.000 0.000 0.204 308 G HA3 0.169 4.129 3.960 -0.000 0.000 0.204 308 G C 1.743 176.710 174.900 0.111 0.000 1.026 308 G CA 0.863 46.030 45.100 0.112 0.000 0.658 308 G HN 2.728 nan 8.290 nan 0.000 0.499 309 G N 0.810 109.674 108.800 0.107 0.000 2.646 309 G HA2 0.007 3.967 3.960 -0.000 0.000 0.324 309 G HA3 0.007 3.967 3.960 -0.000 0.000 0.324 309 G C 1.763 176.751 174.900 0.147 0.000 1.195 309 G CA 2.864 48.034 45.100 0.117 0.000 0.976 309 G HN 2.083 nan 8.290 nan 0.000 0.546 310 A N -0.147 122.790 122.820 0.196 0.000 2.014 310 A HA 0.270 4.590 4.320 -0.000 0.000 0.218 310 A C 2.697 180.402 177.584 0.201 0.000 1.163 310 A CA 3.122 55.325 52.037 0.277 0.000 0.652 310 A CB -0.622 18.613 19.000 0.393 0.000 0.808 310 A HN 1.927 nan 8.150 nan 0.000 0.449 311 S N -0.492 115.226 115.700 0.031 0.000 2.489 311 S HA 0.124 4.594 4.470 -0.000 0.000 0.228 311 S C 0.717 175.164 174.600 -0.255 0.000 0.995 311 S CA -0.225 57.703 58.200 -0.453 0.000 0.934 311 S CB -0.418 62.560 63.200 -0.370 0.000 0.771 311 S HN 0.257 nan 8.310 nan 0.000 0.522 312 I N 3.058 123.598 120.570 -0.051 0.000 2.741 312 I HA 0.085 4.255 4.170 -0.000 0.000 0.288 312 I C 0.363 176.494 176.117 0.025 0.000 1.192 312 I CA -0.115 61.197 61.300 0.021 0.000 1.426 312 I CB -0.583 37.480 38.000 0.105 0.000 1.367 312 I HN 0.322 nan 8.210 nan 0.000 0.563 313 L N 7.263 128.524 121.223 0.064 0.000 2.350 313 L HA 0.444 4.784 4.340 -0.000 0.000 0.275 313 L C 0.642 177.627 176.870 0.190 0.000 1.099 313 L CA -0.179 54.742 54.840 0.135 0.000 0.808 313 L CB 1.397 43.572 42.059 0.192 0.000 1.149 313 L HN 0.771 nan 8.230 nan 0.000 0.442 314 T N -2.268 112.256 114.554 -0.051 0.000 2.778 314 T HA 0.319 4.669 4.350 -0.000 0.000 0.293 314 T C 0.694 174.865 174.700 -0.880 0.000 1.144 314 T CA -0.647 61.164 62.100 -0.482 0.000 1.010 314 T CB 0.747 69.502 68.868 -0.188 0.000 1.325 314 T HN 0.417 nan 8.240 nan 0.000 0.515 315 F N -1.076 118.334 119.950 -0.901 0.000 2.250 315 F HA 0.131 4.658 4.527 0.000 0.000 0.301 315 F C 1.716 177.430 175.800 -0.143 0.000 1.077 315 F CA 0.179 57.870 58.000 -0.514 0.000 1.348 315 F CB -1.097 37.656 39.000 -0.411 0.000 1.040 315 F HN 0.566 nan 8.300 nan 0.000 0.509 316 W N 1.607 122.457 121.300 -0.750 0.000 2.364 316 W HA -0.123 4.538 4.660 0.001 0.000 0.281 316 W C 0.800 177.235 176.519 -0.139 0.000 1.219 316 W CA 0.991 58.079 57.345 -0.430 0.000 1.220 316 W CB -0.292 28.856 29.460 -0.521 0.000 1.127 316 W HN 0.009 nan 8.180 nan 0.000 0.556 317 D N 0.071 120.532 120.400 0.101 0.000 3.071 317 D HA 0.238 4.877 4.640 -0.000 0.000 0.259 317 D C 1.530 177.956 176.300 0.210 0.000 1.331 317 D CA 0.313 54.391 54.000 0.130 0.000 0.861 317 D CB 0.128 40.986 40.800 0.097 0.000 1.059 317 D HN 0.041 nan 8.370 nan 0.000 0.486 318 A N 1.308 124.277 122.820 0.248 0.000 1.894 318 A HA -0.329 3.991 4.320 -0.000 0.000 0.220 318 A C 2.198 179.969 177.584 0.312 0.000 1.237 318 A CA 1.717 53.964 52.037 0.349 0.000 0.660 318 A CB -0.434 18.668 19.000 0.170 0.000 0.835 318 A HN 0.306 nan 8.150 nan 0.000 0.461 319 R N -0.741 119.871 120.500 0.187 0.000 2.073 319 R HA -0.037 4.303 4.340 -0.000 0.000 0.234 319 R C 2.119 178.517 176.300 0.163 0.000 1.134 319 R CA 1.643 57.840 56.100 0.161 0.000 0.952 319 R CB -0.333 30.028 30.300 0.101 0.000 0.850 319 R HN 0.579 nan 8.270 nan 0.000 0.433 320 L N -0.810 120.493 121.223 0.133 0.000 2.179 320 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 320 L C 2.214 179.146 176.870 0.104 0.000 1.096 320 L CA 0.758 55.637 54.840 0.065 0.000 0.779 320 L CB -0.497 41.575 42.059 0.021 0.000 0.922 320 L HN 0.264 nan 8.230 nan 0.000 0.443 321 Y N 1.424 121.773 120.300 0.080 0.000 2.145 321 Y HA -0.259 4.291 4.550 -0.000 0.000 0.286 321 Y C 2.550 178.533 175.900 0.139 0.000 1.145 321 Y CA 1.556 59.723 58.100 0.112 0.000 1.148 321 Y CB -0.112 38.469 38.460 0.203 0.000 0.981 321 Y HN -0.014 nan 8.280 nan 0.000 0.507 322 K N -0.491 120.068 120.400 0.264 0.000 2.103 322 K HA -0.245 4.075 4.320 -0.000 0.000 0.207 322 K C 2.261 178.865 176.600 0.008 0.000 1.048 322 K CA 1.896 58.328 56.287 0.241 0.000 0.930 322 K CB -0.293 32.476 32.500 0.449 0.000 0.716 322 K HN 0.408 nan 8.250 nan 0.000 0.444 323 M N 0.331 119.845 119.600 -0.143 0.000 2.175 323 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 323 M C 2.081 178.151 176.300 -0.384 0.000 1.063 323 M CA 1.521 56.495 55.300 -0.543 0.000 1.119 323 M CB 0.003 32.408 32.600 -0.324 0.000 1.377 323 M HN 0.170 nan 8.290 nan 0.000 0.415 324 A N -0.659 121.999 122.820 -0.271 0.000 1.898 324 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 324 A C 2.011 179.503 177.584 -0.155 0.000 1.181 324 A CA 1.668 53.556 52.037 -0.248 0.000 0.620 324 A CB -1.035 17.838 19.000 -0.212 0.000 0.819 324 A HN 0.379 nan 8.150 nan 0.000 0.442 325 V N 0.035 119.812 119.914 -0.228 0.000 2.407 325 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 325 V C 2.792 178.860 176.094 -0.043 0.000 1.055 325 V CA 1.859 64.058 62.300 -0.168 0.000 1.049 325 V CB -1.410 30.240 31.823 -0.289 0.000 0.662 325 V HN 0.609 nan 8.190 nan 0.000 0.455 326 G N -0.856 107.915 108.800 -0.049 0.000 2.421 326 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.216 326 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.216 326 G C 1.577 176.538 174.900 0.101 0.000 1.171 326 G CA 1.006 46.118 45.100 0.019 0.000 0.775 326 G HN 0.492 nan 8.290 nan 0.000 0.543 327 F N 0.868 120.801 119.950 -0.029 0.000 2.134 327 F HA 0.025 4.552 4.527 0.000 0.000 0.299 327 F C 2.627 178.492 175.800 0.108 0.000 1.097 327 F CA 1.952 59.957 58.000 0.007 0.000 1.264 327 F CB -0.073 38.642 39.000 -0.476 0.000 1.001 327 F HN 0.165 nan 8.300 nan 0.000 0.479 328 M N -0.007 119.717 119.600 0.207 0.000 2.086 328 M HA -0.210 4.269 4.480 -0.000 0.000 0.261 328 M C 1.889 178.270 176.300 0.134 0.000 1.067 328 M CA 1.929 57.388 55.300 0.264 0.000 1.116 328 M CB -0.433 32.322 32.600 0.258 0.000 1.348 328 M HN 0.272 nan 8.290 nan 0.000 0.407 329 L N 0.002 121.261 121.223 0.060 0.000 2.275 329 L HA -0.081 4.259 4.340 -0.000 0.000 0.215 329 L C 2.522 179.442 176.870 0.083 0.000 1.119 329 L CA 0.819 55.677 54.840 0.030 0.000 0.790 329 L CB -0.763 41.292 42.059 -0.006 0.000 0.919 329 L HN 0.443 nan 8.230 nan 0.000 0.443 330 A N -2.298 120.563 122.820 0.068 0.000 2.095 330 A HA -0.035 4.285 4.320 -0.000 0.000 0.212 330 A C 1.099 178.906 177.584 0.372 0.000 1.162 330 A CA 0.048 52.196 52.037 0.185 0.000 0.753 330 A CB -0.275 18.669 19.000 -0.093 0.000 0.840 330 A HN 0.286 nan 8.150 nan 0.000 0.468 331 H N 0.981 120.117 119.070 0.109 0.000 2.610 331 H HA 0.184 4.740 4.556 0.000 0.000 0.336 331 H C -1.725 173.662 175.328 0.098 0.000 1.087 331 H CA -1.351 54.706 56.048 0.014 0.000 1.405 331 H CB 1.541 31.142 29.762 -0.268 0.000 1.460 331 H HN 0.082 nan 8.280 nan 0.000 0.538 332 P HA -0.145 nan 4.420 nan 0.000 0.228 332 P C 0.128 177.487 177.300 0.098 0.000 1.151 332 P CA 0.672 63.738 63.100 -0.057 0.000 0.770 332 P CB -0.243 31.377 31.700 -0.134 0.000 0.786 333 Y N 2.003 122.437 120.300 0.224 0.000 2.377 333 Y HA 0.380 4.930 4.550 -0.000 0.000 0.330 333 Y C 1.233 177.167 175.900 0.056 0.000 1.108 333 Y CA 1.093 59.297 58.100 0.173 0.000 1.308 333 Y CB -0.025 38.591 38.460 0.259 0.000 1.216 333 Y HN 0.291 nan 8.280 nan 0.000 0.518 334 G N 4.450 112.875 108.800 -0.624 0.000 2.806 334 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.236 334 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.236 334 G C -1.353 173.458 174.900 -0.148 0.000 1.387 334 G CA -0.192 44.615 45.100 -0.489 0.000 0.884 334 G HN 0.910 nan 8.290 nan 0.000 0.560 335 F N 1.865 121.671 119.950 -0.241 0.000 2.427 335 F HA 0.651 5.178 4.527 -0.000 0.000 0.346 335 F C 1.112 176.806 175.800 -0.176 0.000 1.120 335 F CA 0.045 57.936 58.000 -0.182 0.000 1.033 335 F CB 1.606 40.508 39.000 -0.165 0.000 1.126 335 F HN 0.839 nan 8.300 nan 0.000 0.462 336 T N 4.065 118.200 114.554 -0.698 0.000 2.837 336 T HA 0.461 4.811 4.350 -0.000 0.000 0.285 336 T C -0.404 174.033 174.700 -0.438 0.000 0.984 336 T CA -0.901 60.926 62.100 -0.456 0.000 1.049 336 T CB 1.471 70.140 68.868 -0.332 0.000 0.947 336 T HN 0.785 nan 8.240 nan 0.000 0.472 337 R N 2.241 122.628 120.500 -0.188 0.000 2.437 337 R HA 0.598 4.938 4.340 -0.000 0.000 0.310 337 R C -1.434 174.866 176.300 -0.001 0.000 0.955 337 R CA -0.699 55.342 56.100 -0.098 0.000 0.851 337 R CB 1.423 31.672 30.300 -0.085 0.000 1.161 337 R HN 0.609 nan 8.270 nan 0.000 0.446 338 V N 5.446 125.375 119.914 0.025 0.000 2.481 338 V HA 0.327 4.447 4.120 -0.000 0.000 0.286 338 V C 0.220 176.368 176.094 0.090 0.000 1.042 338 V CA -0.691 61.656 62.300 0.077 0.000 0.928 338 V CB 1.508 33.414 31.823 0.140 0.000 0.986 338 V HN 0.786 nan 8.190 nan 0.000 0.462 339 M N 3.901 123.573 119.600 0.120 0.000 2.314 339 M HA 0.522 5.002 4.480 -0.000 0.000 0.342 339 M C -0.169 176.158 176.300 0.045 0.000 1.171 339 M CA 0.604 55.967 55.300 0.105 0.000 1.098 339 M CB 1.563 34.264 32.600 0.167 0.000 1.559 339 M HN 0.614 nan 8.290 nan 0.000 0.459 340 S N 2.419 118.111 115.700 -0.014 0.000 2.779 340 S HA 0.755 5.225 4.470 -0.000 0.000 0.293 340 S C -1.200 173.451 174.600 0.085 0.000 1.150 340 S CA -0.610 57.588 58.200 -0.003 0.000 1.057 340 S CB 0.629 63.750 63.200 -0.132 0.000 1.021 340 S HN 0.843 nan 8.310 nan 0.000 0.485 341 S N 2.809 118.536 115.700 0.044 0.000 2.776 341 S HA 0.817 5.287 4.470 -0.000 0.000 0.306 341 S C -1.318 173.366 174.600 0.139 0.000 1.114 341 S CA -0.718 57.519 58.200 0.063 0.000 0.973 341 S CB 0.667 63.787 63.200 -0.133 0.000 1.250 341 S HN 0.772 nan 8.310 nan 0.000 0.549 342 Y N -0.984 119.372 120.300 0.094 0.000 2.545 342 Y HA 0.749 5.299 4.550 -0.000 0.000 0.348 342 Y C -0.497 175.411 175.900 0.014 0.000 1.002 342 Y CA -1.391 56.659 58.100 -0.083 0.000 1.039 342 Y CB 0.713 38.981 38.460 -0.320 0.000 1.271 342 Y HN 0.365 nan 8.280 nan 0.000 0.467 343 R N 1.616 122.204 120.500 0.147 0.000 2.441 343 R HA 0.417 4.757 4.340 -0.000 0.000 0.284 343 R C -1.486 175.133 176.300 0.532 0.000 1.070 343 R CA -0.332 55.899 56.100 0.218 0.000 1.047 343 R CB 0.877 31.198 30.300 0.035 0.000 1.016 343 R HN 0.953 nan 8.270 nan 0.000 0.477 344 W N 2.519 124.077 121.300 0.430 0.000 3.031 344 W HA 0.491 5.150 4.660 -0.001 0.000 0.337 344 W C -2.605 174.087 176.519 0.289 0.000 1.187 344 W CA -2.607 54.916 57.345 0.297 0.000 1.166 344 W CB 0.448 30.072 29.460 0.273 0.000 1.437 344 W HN 0.316 nan 8.180 nan 0.000 0.551 345 P HA 0.147 nan 4.420 nan 0.000 0.260 345 P C -0.111 177.117 177.300 -0.120 0.000 1.651 345 P CA 0.032 63.134 63.100 0.003 0.000 1.139 345 P CB 0.294 32.024 31.700 0.050 0.000 1.756 346 R N 2.248 122.455 120.500 -0.489 0.000 2.756 346 R HA 0.108 4.448 4.340 -0.000 0.000 0.264 346 R C 0.642 176.740 176.300 -0.337 0.000 1.026 346 R CA 0.408 56.184 56.100 -0.541 0.000 1.121 346 R CB 0.348 30.065 30.300 -0.972 0.000 0.999 346 R HN 0.490 nan 8.270 nan 0.000 0.449 347 Q N 3.067 122.651 119.800 -0.360 0.000 3.025 347 Q HA 0.143 4.483 4.340 -0.000 0.000 0.216 347 Q C -1.680 174.207 176.000 -0.188 0.000 0.828 347 Q CA -0.231 55.472 55.803 -0.168 0.000 0.806 347 Q CB 0.715 29.426 28.738 -0.046 0.000 1.423 347 Q HN 0.415 nan 8.270 nan 0.000 0.455 348 F N 2.207 122.141 119.950 -0.027 0.000 2.444 348 F HA 0.291 4.817 4.527 -0.001 0.000 0.360 348 F C 0.787 176.594 175.800 0.011 0.000 1.106 348 F CA 0.201 58.197 58.000 -0.007 0.000 1.170 348 F CB 0.892 39.868 39.000 -0.040 0.000 1.113 348 F HN 0.194 nan 8.300 nan 0.000 0.521 349 Q N 3.053 122.964 119.800 0.185 0.000 2.325 349 Q HA 0.281 4.621 4.340 -0.000 0.000 0.270 349 Q C -0.363 175.713 176.000 0.127 0.000 1.020 349 Q CA -0.886 54.995 55.803 0.130 0.000 0.785 349 Q CB 1.466 30.261 28.738 0.094 0.000 1.259 349 Q HN 0.551 nan 8.270 nan 0.000 0.452 350 N N 1.713 120.473 118.700 0.099 0.000 2.727 350 N HA -0.230 4.510 4.740 -0.000 0.000 0.249 350 N C 0.581 176.148 175.510 0.096 0.000 1.048 350 N CA 1.421 54.516 53.050 0.076 0.000 0.714 350 N CB -1.207 37.316 38.487 0.060 0.000 0.959 350 N HN 1.135 nan 8.380 nan 0.000 0.544 351 G N -0.975 107.905 108.800 0.133 0.000 2.184 351 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.264 351 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.264 351 G C -0.053 175.036 174.900 0.316 0.000 0.975 351 G CA 0.759 45.954 45.100 0.159 0.000 0.642 351 G HN 0.999 nan 8.290 nan 0.000 0.536 352 N N -0.116 118.748 118.700 0.273 0.000 2.372 352 N HA 0.479 5.219 4.740 -0.000 0.000 0.291 352 N C -0.885 174.688 175.510 0.104 0.000 1.024 352 N CA -0.513 52.664 53.050 0.212 0.000 0.873 352 N CB 1.817 40.376 38.487 0.120 0.000 1.206 352 N HN 0.024 nan 8.380 nan 0.000 0.486 353 D N 2.507 122.848 120.400 -0.100 0.000 2.359 353 D HA -0.026 4.614 4.640 -0.000 0.000 0.250 353 D C 1.259 177.536 176.300 -0.040 0.000 1.264 353 D CA -0.685 53.079 54.000 -0.392 0.000 0.911 353 D CB 0.851 41.310 40.800 -0.569 0.000 1.056 353 D HN 0.487 nan 8.370 nan 0.000 0.499 354 V N 1.787 121.713 119.914 0.020 0.000 3.241 354 V HA 0.009 4.129 4.120 -0.000 0.000 0.269 354 V C 0.737 176.989 176.094 0.263 0.000 1.151 354 V CA 0.825 63.223 62.300 0.163 0.000 1.158 354 V CB -0.525 31.393 31.823 0.159 0.000 0.764 354 V HN 0.355 nan 8.190 nan 0.000 0.508 355 N N 1.750 120.527 118.700 0.128 0.000 2.321 355 N HA 0.090 4.830 4.740 -0.000 0.000 0.242 355 N C 0.796 176.237 175.510 -0.114 0.000 1.141 355 N CA 0.725 53.754 53.050 -0.035 0.000 0.864 355 N CB 0.298 38.798 38.487 0.021 0.000 1.100 355 N HN 0.816 nan 8.380 nan 0.000 0.510 356 D N -0.637 119.834 120.400 0.118 0.000 2.371 356 D HA -0.129 4.511 4.640 -0.000 0.000 0.221 356 D C 1.555 178.053 176.300 0.330 0.000 0.986 356 D CA 0.197 54.297 54.000 0.167 0.000 0.899 356 D CB -0.462 40.576 40.800 0.396 0.000 0.902 356 D HN 0.479 nan 8.370 nan 0.000 0.530 357 W N 0.794 122.336 121.300 0.403 0.000 3.003 357 W HA 0.290 4.949 4.660 -0.000 0.000 0.257 357 W C -0.353 176.271 176.519 0.176 0.000 1.308 357 W CA -0.600 56.955 57.345 0.350 0.000 1.529 357 W CB -0.670 28.977 29.460 0.311 0.000 1.115 357 W HN -0.303 nan 8.180 nan 0.000 0.659 358 V N 3.386 122.912 119.914 -0.647 0.000 2.557 358 V HA 0.164 4.284 4.120 -0.000 0.000 0.301 358 V C 1.424 177.534 176.094 0.026 0.000 1.026 358 V CA 0.832 62.779 62.300 -0.588 0.000 1.137 358 V CB -0.259 31.245 31.823 -0.531 0.000 0.917 358 V HN 0.171 nan 8.190 nan 0.000 0.484 359 G N 6.502 115.306 108.800 0.006 0.000 2.563 359 G HA2 0.464 4.424 3.960 -0.000 0.000 0.283 359 G HA3 0.464 4.424 3.960 -0.000 0.000 0.283 359 G C -2.359 172.240 174.900 -0.501 0.000 1.309 359 G CA -1.048 44.015 45.100 -0.062 0.000 1.022 359 G HN 0.640 nan 8.290 nan 0.000 0.501 360 P HA 0.175 nan 4.420 nan 0.000 0.270 360 P C -2.638 174.177 177.300 -0.808 0.000 1.223 360 P CA -0.989 61.323 63.100 -1.313 0.000 0.785 360 P CB -0.077 31.196 31.700 -0.711 0.000 0.923 361 P HA 0.029 nan 4.420 nan 0.000 0.262 361 P C -0.331 176.782 177.300 -0.312 0.000 1.182 361 P CA 0.764 63.525 63.100 -0.565 0.000 0.761 361 P CB -0.190 31.048 31.700 -0.770 0.000 0.795 362 N N 0.660 119.262 118.700 -0.163 0.000 2.708 362 N HA 0.363 5.103 4.740 -0.000 0.000 0.257 362 N C -1.619 173.887 175.510 -0.007 0.000 1.373 362 N CA -1.045 51.968 53.050 -0.061 0.000 0.843 362 N CB 1.076 39.551 38.487 -0.020 0.000 1.503 362 N HN 0.066 nan 8.380 nan 0.000 0.504 363 N N 0.567 119.278 118.700 0.019 0.000 2.564 363 N HA 0.388 5.128 4.740 -0.000 0.000 0.248 363 N C -1.079 174.471 175.510 0.068 0.000 0.986 363 N CA -0.813 52.254 53.050 0.027 0.000 0.921 363 N CB 0.680 39.175 38.487 0.013 0.000 1.136 363 N HN 0.581 nan 8.380 nan 0.000 0.509 364 N N 1.928 120.683 118.700 0.092 0.000 2.754 364 N HA -0.226 4.514 4.740 -0.000 0.000 0.248 364 N C 0.826 176.537 175.510 0.334 0.000 1.093 364 N CA 1.093 54.235 53.050 0.153 0.000 0.699 364 N CB -1.010 37.532 38.487 0.092 0.000 1.016 364 N HN 0.990 nan 8.380 nan 0.000 0.552 365 G N -2.038 106.998 108.800 0.393 0.000 2.241 365 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.244 365 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.244 365 G C 0.041 174.962 174.900 0.034 0.000 0.998 365 G CA 0.198 45.421 45.100 0.206 0.000 0.621 365 G HN 0.418 nan 8.290 nan 0.000 0.519 366 V N 3.254 123.199 119.914 0.052 0.000 2.405 366 V HA 0.387 4.507 4.120 -0.000 0.000 0.264 366 V C 1.335 177.418 176.094 -0.019 0.000 1.048 366 V CA -0.513 61.788 62.300 0.003 0.000 0.966 366 V CB 0.947 32.779 31.823 0.015 0.000 1.015 366 V HN 0.361 nan 8.190 nan 0.000 0.477 367 I N 5.064 125.604 120.570 -0.049 0.000 2.775 367 I HA 0.004 4.174 4.170 -0.000 0.000 0.290 367 I C 0.926 177.048 176.117 0.008 0.000 1.203 367 I CA 0.378 61.657 61.300 -0.036 0.000 1.433 367 I CB 0.156 38.133 38.000 -0.038 0.000 1.354 367 I HN 0.580 nan 8.210 nan 0.000 0.579 368 K N 5.735 126.166 120.400 0.052 0.000 2.202 368 K HA 0.130 4.450 4.320 -0.000 0.000 0.264 368 K C 0.078 176.764 176.600 0.143 0.000 1.010 368 K CA -0.658 55.678 56.287 0.081 0.000 0.940 368 K CB 0.594 33.125 32.500 0.052 0.000 0.983 368 K HN 0.483 nan 8.250 nan 0.000 0.475 369 E N 1.302 121.521 120.200 0.032 0.000 2.383 369 E HA 0.056 4.406 4.350 -0.000 0.000 0.264 369 E C -0.392 176.127 176.600 -0.134 0.000 1.050 369 E CA -0.438 55.904 56.400 -0.098 0.000 0.896 369 E CB 0.544 30.192 29.700 -0.087 0.000 0.982 369 E HN 0.078 nan 8.360 nan 0.000 0.424 370 V N 2.975 122.574 119.914 -0.526 0.000 2.455 370 V HA 0.149 4.269 4.120 -0.000 0.000 0.273 370 V C 0.516 176.438 176.094 -0.287 0.000 1.045 370 V CA -0.135 61.753 62.300 -0.686 0.000 0.976 370 V CB 0.564 31.545 31.823 -1.403 0.000 0.993 370 V HN 0.830 nan 8.190 nan 0.000 0.475 371 T N 4.015 118.505 114.554 -0.106 0.000 2.895 371 T HA 0.703 5.053 4.350 -0.000 0.000 0.283 371 T C -0.604 174.072 174.700 -0.040 0.000 1.014 371 T CA -0.804 61.263 62.100 -0.056 0.000 1.037 371 T CB 1.725 70.587 68.868 -0.010 0.000 1.006 371 T HN 0.232 nan 8.240 nan 0.000 0.468 372 I N 3.131 123.683 120.570 -0.030 0.000 2.339 372 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 372 I C 0.068 176.185 176.117 0.001 0.000 0.994 372 I CA -1.049 60.241 61.300 -0.016 0.000 1.191 372 I CB 0.921 38.913 38.000 -0.013 0.000 1.343 372 I HN 0.668 nan 8.210 nan 0.000 0.458 373 N N 8.706 127.411 118.700 0.007 0.000 2.503 373 N HA 0.210 4.950 4.740 -0.000 0.000 0.267 373 N C -1.444 174.075 175.510 0.016 0.000 1.214 373 N CA -1.337 51.721 53.050 0.013 0.000 0.959 373 N CB 0.607 39.104 38.487 0.016 0.000 1.142 373 N HN 0.335 nan 8.380 nan 0.000 0.455 374 P HA -0.179 nan 4.420 nan 0.000 0.218 374 P C 0.191 177.506 177.300 0.025 0.000 1.146 374 P CA 1.501 64.613 63.100 0.020 0.000 0.820 374 P CB 0.174 31.884 31.700 0.016 0.000 0.778 375 D N -1.915 118.500 120.400 0.024 0.000 2.388 375 D HA 0.004 4.644 4.640 -0.000 0.000 0.221 375 D C 0.476 176.799 176.300 0.039 0.000 1.133 375 D CA 0.953 54.970 54.000 0.029 0.000 0.831 375 D CB -0.478 40.333 40.800 0.019 0.000 0.962 375 D HN 0.226 nan 8.370 nan 0.000 0.502 376 T N -2.959 111.617 114.554 0.036 0.000 6.412 376 T HA -0.278 4.072 4.350 -0.000 0.000 0.279 376 T C 0.747 175.446 174.700 -0.003 0.000 2.177 376 T CA 1.606 63.724 62.100 0.029 0.000 3.599 376 T CB -2.905 66.007 68.868 0.074 0.000 1.259 376 T HN 0.484 nan 8.240 nan 0.000 1.146 377 T N -0.621 113.946 114.554 0.021 0.000 2.726 377 T HA 0.604 4.954 4.350 -0.000 0.000 0.294 377 T C 0.896 175.611 174.700 0.024 0.000 1.013 377 T CA -0.232 61.891 62.100 0.038 0.000 0.996 377 T CB 1.021 69.922 68.868 0.055 0.000 1.016 377 T HN 0.658 nan 8.240 nan 0.000 0.529 378 c N 0.427 119.059 118.600 0.054 0.000 2.399 378 c HA 0.889 5.459 4.570 -0.000 0.000 0.348 378 c C 1.328 175.467 174.090 0.080 0.000 1.183 378 c CA -0.390 55.975 56.329 0.059 0.000 2.023 378 c CB 0.836 43.407 42.510 0.100 0.000 2.361 378 c HN 1.196 nan 8.230 nan 0.000 0.521 379 G N 0.194 109.042 108.800 0.079 0.000 2.938 379 G HA2 0.477 4.437 3.960 -0.000 0.000 0.258 379 G HA3 0.477 4.437 3.960 -0.000 0.000 0.258 379 G C -0.072 174.893 174.900 0.108 0.000 1.356 379 G CA -0.211 44.929 45.100 0.067 0.000 1.052 379 G HN 0.744 nan 8.290 nan 0.000 0.550 380 N N 0.029 118.751 118.700 0.036 0.000 2.708 380 N HA -0.152 4.588 4.740 -0.000 0.000 0.251 380 N C 0.019 175.387 175.510 -0.236 0.000 1.123 380 N CA 1.389 54.419 53.050 -0.034 0.000 0.739 380 N CB -0.553 37.977 38.487 0.071 0.000 1.113 380 N HN 0.651 nan 8.380 nan 0.000 0.561 381 D N -4.323 115.978 120.400 -0.164 0.000 3.070 381 D HA -0.215 4.425 4.640 -0.000 0.000 0.210 381 D C -0.444 175.685 176.300 -0.285 0.000 1.103 381 D CA 1.036 54.903 54.000 -0.221 0.000 0.980 381 D CB -1.550 39.093 40.800 -0.261 0.000 1.100 381 D HN 0.540 nan 8.370 nan 0.000 0.423 382 W N 0.505 121.779 121.300 -0.043 0.000 2.311 382 W HA 0.392 5.052 4.660 0.000 0.000 0.310 382 W C 1.702 178.199 176.519 -0.036 0.000 1.274 382 W CA -0.878 56.456 57.345 -0.019 0.000 1.215 382 W CB 0.766 30.166 29.460 -0.100 0.000 1.227 382 W HN -0.268 nan 8.180 nan 0.000 0.523 383 V N 2.393 122.360 119.914 0.088 0.000 2.591 383 V HA -0.208 3.911 4.120 -0.000 0.000 0.249 383 V C 1.183 177.313 176.094 0.061 0.000 1.053 383 V CA 0.386 62.637 62.300 -0.081 0.000 1.068 383 V CB -0.851 30.604 31.823 -0.614 0.000 0.689 383 V HN 0.875 nan 8.190 nan 0.000 0.462 384 c N 1.419 120.096 118.600 0.128 0.000 3.727 384 c HA -0.167 4.403 4.570 -0.000 0.000 0.293 384 c C 1.708 175.648 174.090 -0.250 0.000 1.339 384 c CA 0.550 56.923 56.329 0.075 0.000 2.150 384 c CB -2.533 39.999 42.510 0.037 0.000 1.383 384 c HN 0.673 nan 8.230 nan 0.000 0.614 385 E N 0.499 120.431 120.200 -0.447 0.000 2.160 385 E HA -0.190 4.159 4.350 -0.000 0.000 0.195 385 E C 1.983 178.289 176.600 -0.490 0.000 0.991 385 E CA 1.695 57.456 56.400 -1.064 0.000 0.810 385 E CB -0.171 29.093 29.700 -0.726 0.000 0.742 385 E HN 0.977 nan 8.360 nan 0.000 0.466 386 H N -0.068 118.870 119.070 -0.219 0.000 2.543 386 H HA 0.072 4.628 4.556 -0.000 0.000 0.286 386 H C 1.230 176.629 175.328 0.118 0.000 1.037 386 H CA 0.901 56.950 56.048 0.001 0.000 1.250 386 H CB -0.016 29.671 29.762 -0.125 0.000 1.373 386 H HN 0.088 nan 8.280 nan 0.000 0.580 387 R N -0.605 119.625 120.500 -0.449 0.000 2.362 387 R HA 0.057 4.397 4.340 -0.000 0.000 0.227 387 R C -0.267 176.162 176.300 0.216 0.000 0.905 387 R CA -0.454 55.505 56.100 -0.236 0.000 1.067 387 R CB 0.276 30.261 30.300 -0.525 0.000 1.078 387 R HN 0.104 nan 8.270 nan 0.000 0.516 388 W N 1.967 123.290 121.300 0.038 0.000 2.308 388 W HA 0.139 4.799 4.660 -0.000 0.000 0.324 388 W C 1.572 178.163 176.519 0.120 0.000 1.387 388 W CA -1.085 56.309 57.345 0.082 0.000 1.250 388 W CB 0.024 29.554 29.460 0.116 0.000 1.257 388 W HN 0.081 nan 8.180 nan 0.000 0.554 389 R N 1.846 122.523 120.500 0.295 0.000 2.113 389 R HA -0.314 4.026 4.340 -0.000 0.000 0.244 389 R C 1.652 178.072 176.300 0.200 0.000 1.142 389 R CA 2.551 58.776 56.100 0.207 0.000 0.953 389 R CB 0.014 30.384 30.300 0.117 0.000 0.860 389 R HN 0.490 nan 8.270 nan 0.000 0.438 390 Q N -0.064 119.862 119.800 0.211 0.000 2.170 390 Q HA -0.069 4.270 4.340 -0.000 0.000 0.203 390 Q C 1.965 178.111 176.000 0.244 0.000 0.976 390 Q CA 1.617 57.531 55.803 0.186 0.000 0.858 390 Q CB 0.003 28.871 28.738 0.217 0.000 0.907 390 Q HN 0.484 nan 8.270 nan 0.000 0.433 391 I N -0.472 120.281 120.570 0.305 0.000 2.429 391 I HA -0.117 4.053 4.170 -0.000 0.000 0.247 391 I C 2.474 178.726 176.117 0.225 0.000 1.099 391 I CA 0.371 61.818 61.300 0.246 0.000 1.422 391 I CB -0.217 37.924 38.000 0.235 0.000 1.112 391 I HN 0.133 nan 8.210 nan 0.000 0.430 392 R N 1.548 122.227 120.500 0.298 0.000 2.091 392 R HA -0.207 4.133 4.340 -0.000 0.000 0.238 392 R C 1.731 178.127 176.300 0.161 0.000 1.136 392 R CA 1.898 58.191 56.100 0.322 0.000 0.959 392 R CB -0.423 30.124 30.300 0.411 0.000 0.856 392 R HN 0.330 nan 8.270 nan 0.000 0.437 393 N N -0.041 118.754 118.700 0.158 0.000 2.331 393 N HA -0.080 4.660 4.740 -0.000 0.000 0.180 393 N C 1.507 177.090 175.510 0.123 0.000 1.019 393 N CA 0.933 54.063 53.050 0.134 0.000 0.881 393 N CB -0.065 38.505 38.487 0.138 0.000 0.972 393 N HN 0.213 nan 8.380 nan 0.000 0.435 394 M N -0.250 119.407 119.600 0.095 0.000 2.447 394 M HA 0.074 4.554 4.480 -0.000 0.000 0.264 394 M C 1.790 178.107 176.300 0.027 0.000 1.095 394 M CA 0.328 55.662 55.300 0.058 0.000 1.125 394 M CB -0.486 32.131 32.600 0.027 0.000 1.389 394 M HN -0.117 nan 8.290 nan 0.000 0.459 395 V N 0.582 120.464 119.914 -0.053 0.000 2.307 395 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 395 V C 2.308 178.279 176.094 -0.205 0.000 1.045 395 V CA 1.555 63.721 62.300 -0.224 0.000 1.024 395 V CB -0.448 31.040 31.823 -0.558 0.000 0.651 395 V HN 0.326 nan 8.190 nan 0.000 0.449 396 I N -0.950 119.531 120.570 -0.148 0.000 2.315 396 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 396 I C 2.274 178.284 176.117 -0.179 0.000 1.117 396 I CA 1.651 62.863 61.300 -0.147 0.000 1.404 396 I CB -0.404 37.549 38.000 -0.079 0.000 1.071 396 I HN 0.313 nan 8.210 nan 0.000 0.419 397 F N 1.751 121.527 119.950 -0.290 0.000 2.120 397 F HA -0.276 4.251 4.527 0.000 0.000 0.300 397 F C 2.696 178.364 175.800 -0.221 0.000 1.095 397 F CA 1.783 59.575 58.000 -0.346 0.000 1.249 397 F CB -0.298 38.630 39.000 -0.121 0.000 0.995 397 F HN -0.145 nan 8.300 nan 0.000 0.480 398 R N 0.189 120.785 120.500 0.159 0.000 2.081 398 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 398 R C 2.045 178.305 176.300 -0.068 0.000 1.131 398 R CA 1.703 57.848 56.100 0.075 0.000 0.960 398 R CB -0.341 29.966 30.300 0.012 0.000 0.856 398 R HN 0.280 nan 8.270 nan 0.000 0.436 399 N N -0.009 118.619 118.700 -0.120 0.000 2.084 399 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 399 N C 1.741 177.164 175.510 -0.144 0.000 1.030 399 N CA 1.387 54.361 53.050 -0.126 0.000 0.849 399 N CB -0.404 38.001 38.487 -0.137 0.000 1.012 399 N HN 0.039 nan 8.380 nan 0.000 0.423 400 V N 0.891 120.667 119.914 -0.229 0.000 2.407 400 V HA -0.129 3.991 4.120 -0.000 0.000 0.248 400 V C 2.029 177.992 176.094 -0.218 0.000 1.055 400 V CA 1.538 63.690 62.300 -0.247 0.000 1.049 400 V CB -0.504 31.069 31.823 -0.417 0.000 0.662 400 V HN 0.323 nan 8.190 nan 0.000 0.455 401 V N -2.177 117.578 119.914 -0.265 0.000 3.596 401 V HA 0.258 4.377 4.120 -0.000 0.000 0.289 401 V C 0.606 176.655 176.094 -0.074 0.000 1.336 401 V CA -0.277 61.911 62.300 -0.185 0.000 1.137 401 V CB -0.401 31.268 31.823 -0.257 0.000 0.966 401 V HN 0.435 nan 8.190 nan 0.000 0.428 402 D N 1.863 122.223 120.400 -0.067 0.000 2.581 402 D HA 0.350 4.990 4.640 -0.000 0.000 0.238 402 D C 1.472 177.762 176.300 -0.017 0.000 1.145 402 D CA 2.089 56.070 54.000 -0.031 0.000 0.866 402 D CB 0.307 41.086 40.800 -0.035 0.000 1.151 402 D HN 0.646 nan 8.370 nan 0.000 0.500 403 G N 3.325 112.124 108.800 -0.002 0.000 2.234 403 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.235 403 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.235 403 G C 0.213 175.123 174.900 0.016 0.000 0.997 403 G CA -0.047 45.055 45.100 0.004 0.000 0.623 403 G HN 0.578 nan 8.290 nan 0.000 0.514 404 Q N 1.816 121.629 119.800 0.022 0.000 2.352 404 Q HA 0.394 4.734 4.340 -0.000 0.000 0.260 404 Q C -1.989 174.054 176.000 0.072 0.000 0.976 404 Q CA -1.249 54.579 55.803 0.041 0.000 0.881 404 Q CB 1.180 29.939 28.738 0.035 0.000 1.235 404 Q HN 0.421 nan 8.270 nan 0.000 0.419 405 P HA 0.089 nan 4.420 nan 0.000 0.274 405 P C -0.696 176.716 177.300 0.186 0.000 1.237 405 P CA -0.372 62.799 63.100 0.118 0.000 0.793 405 P CB 0.450 32.211 31.700 0.101 0.000 0.977 406 F N 2.261 122.222 119.950 0.017 0.000 2.445 406 F HA 0.363 4.890 4.527 -0.000 0.000 0.359 406 F C 0.106 175.972 175.800 0.110 0.000 1.101 406 F CA 0.718 58.735 58.000 0.028 0.000 1.177 406 F CB 0.254 39.169 39.000 -0.141 0.000 1.110 406 F HN 0.384 nan 8.300 nan 0.000 0.522 407 T N 1.696 116.176 114.554 -0.125 0.000 2.754 407 T HA 0.312 4.662 4.350 -0.000 0.000 0.296 407 T C -0.426 174.276 174.700 0.003 0.000 1.205 407 T CA -1.228 60.859 62.100 -0.023 0.000 1.009 407 T CB 1.289 70.208 68.868 0.085 0.000 1.368 407 T HN 0.508 nan 8.240 nan 0.000 0.509 408 N N 0.563 119.338 118.700 0.126 0.000 2.714 408 N HA -0.133 4.607 4.740 -0.000 0.000 0.252 408 N C -0.463 175.210 175.510 0.271 0.000 1.014 408 N CA 0.558 53.741 53.050 0.220 0.000 0.735 408 N CB -0.770 37.885 38.487 0.280 0.000 0.924 408 N HN 0.738 nan 8.380 nan 0.000 0.540 409 W N 0.972 122.299 121.300 0.045 0.000 2.190 409 W HA 0.305 4.964 4.660 -0.000 0.000 0.330 409 W C -0.399 176.257 176.519 0.228 0.000 1.299 409 W CA -0.054 57.347 57.345 0.094 0.000 1.215 409 W CB 0.318 29.818 29.460 0.067 0.000 1.147 409 W HN 0.231 nan 8.180 nan 0.000 0.563 410 Y N 5.007 124.897 120.300 -0.685 0.000 2.504 410 Y HA 0.383 4.933 4.550 -0.000 0.000 0.344 410 Y C -1.657 173.798 175.900 -0.742 0.000 1.023 410 Y CA -0.952 56.883 58.100 -0.442 0.000 1.020 410 Y CB 1.399 39.779 38.460 -0.133 0.000 1.282 410 Y HN 0.527 nan 8.280 nan 0.000 0.454 411 D N 1.981 121.533 120.400 -1.412 0.000 2.736 411 D HA 0.207 4.847 4.640 -0.000 0.000 0.223 411 D C -1.070 174.664 176.300 -0.943 0.000 1.231 411 D CA -0.833 52.573 54.000 -0.989 0.000 0.818 411 D CB 1.055 41.714 40.800 -0.235 0.000 1.587 411 D HN 0.446 nan 8.370 nan 0.000 0.463 412 N N 1.229 119.656 118.700 -0.454 0.000 2.313 412 N HA 0.180 4.920 4.740 -0.000 0.000 0.207 412 N C 1.347 176.871 175.510 0.024 0.000 1.141 412 N CA 0.226 53.230 53.050 -0.077 0.000 0.830 412 N CB 0.245 38.868 38.487 0.225 0.000 1.008 412 N HN 1.029 nan 8.380 nan 0.000 0.481 413 G N -1.537 107.252 108.800 -0.019 0.000 2.184 413 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.264 413 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.264 413 G C 0.371 175.285 174.900 0.025 0.000 0.975 413 G CA 0.726 45.851 45.100 0.043 0.000 0.642 413 G HN 0.659 nan 8.290 nan 0.000 0.536 414 S N -0.885 114.817 115.700 0.005 0.000 3.697 414 S HA 0.429 4.899 4.470 -0.000 0.000 0.184 414 S C 0.901 175.419 174.600 -0.137 0.000 1.045 414 S CA 0.758 58.941 58.200 -0.028 0.000 1.330 414 S CB 0.132 63.402 63.200 0.117 0.000 1.393 414 S HN 0.288 nan 8.310 nan 0.000 0.855 415 N N 0.618 119.210 118.700 -0.178 0.000 2.291 415 N HA 0.360 5.100 4.740 -0.000 0.000 0.244 415 N C -1.286 174.085 175.510 -0.232 0.000 1.216 415 N CA -0.066 52.842 53.050 -0.237 0.000 0.879 415 N CB 1.159 39.481 38.487 -0.275 0.000 1.167 415 N HN 0.274 nan 8.380 nan 0.000 0.515 416 Q N 1.440 121.137 119.800 -0.172 0.000 2.357 416 Q HA 0.485 4.825 4.340 -0.000 0.000 0.266 416 Q C -0.930 174.956 176.000 -0.189 0.000 1.021 416 Q CA -0.731 54.983 55.803 -0.148 0.000 0.784 416 Q CB 2.115 30.893 28.738 0.067 0.000 1.243 416 Q HN 0.116 nan 8.270 nan 0.000 0.465 417 V N -1.112 118.647 119.914 -0.258 0.000 3.130 417 V HA 1.063 5.183 4.120 -0.000 0.000 0.310 417 V C -1.233 174.662 176.094 -0.332 0.000 1.158 417 V CA -0.847 61.198 62.300 -0.425 0.000 1.029 417 V CB 1.970 33.483 31.823 -0.517 0.000 1.057 417 V HN 0.720 nan 8.190 nan 0.000 0.436 418 A N 2.124 124.653 122.820 -0.486 0.000 2.612 418 A HA 1.036 5.356 4.320 -0.000 0.000 0.293 418 A C -1.216 176.124 177.584 -0.407 0.000 1.075 418 A CA -0.237 51.502 52.037 -0.497 0.000 0.680 418 A CB 1.780 20.481 19.000 -0.497 0.000 1.279 418 A HN 2.414 nan 8.150 nan 0.000 0.411 419 F N -1.276 118.266 119.950 -0.681 0.000 2.741 419 F HA 0.832 5.359 4.527 -0.000 0.000 0.311 419 F C -0.057 175.406 175.800 -0.562 0.000 1.149 419 F CA -0.346 57.377 58.000 -0.461 0.000 0.930 419 F CB 0.794 39.632 39.000 -0.271 0.000 1.312 419 F HN 1.104 nan 8.300 nan 0.000 0.450 420 G N 0.485 109.330 108.800 0.075 0.000 2.600 420 G HA2 0.679 4.638 3.960 -0.000 0.000 0.303 420 G HA3 0.679 4.638 3.960 -0.000 0.000 0.303 420 G C -1.512 173.543 174.900 0.259 0.000 1.253 420 G CA -1.299 43.938 45.100 0.228 0.000 0.974 420 G HN 0.592 nan 8.290 nan 0.000 0.483 421 R N 0.461 121.097 120.500 0.227 0.000 2.363 421 R HA 0.472 4.812 4.340 -0.000 0.000 0.297 421 R C 0.876 177.241 176.300 0.108 0.000 1.208 421 R CA 0.093 56.305 56.100 0.187 0.000 1.121 421 R CB 0.348 30.753 30.300 0.174 0.000 1.124 421 R HN 1.256 nan 8.270 nan 0.000 0.561 422 G N 3.472 112.337 108.800 0.108 0.000 2.596 422 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.295 422 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.295 422 G C 0.279 175.221 174.900 0.069 0.000 1.240 422 G CA 0.648 45.794 45.100 0.076 0.000 0.985 422 G HN 0.655 nan 8.290 nan 0.000 0.555 423 N N 0.593 119.320 118.700 0.045 0.000 2.328 423 N HA 0.218 4.958 4.740 -0.000 0.000 0.247 423 N C 1.253 176.782 175.510 0.031 0.000 1.165 423 N CA 0.025 53.098 53.050 0.039 0.000 0.873 423 N CB 0.494 39.003 38.487 0.036 0.000 1.125 423 N HN 0.583 nan 8.380 nan 0.000 0.513 424 R N -0.805 119.702 120.500 0.012 0.000 2.419 424 R HA 0.359 4.699 4.340 -0.000 0.000 0.235 424 R C 0.274 176.526 176.300 -0.079 0.000 0.899 424 R CA 0.345 56.433 56.100 -0.020 0.000 1.048 424 R CB 1.323 31.589 30.300 -0.057 0.000 1.182 424 R HN 0.279 nan 8.270 nan 0.000 0.544 425 G N 0.559 109.323 108.800 -0.060 0.000 2.673 425 G HA2 0.523 4.483 3.960 -0.000 0.000 0.292 425 G HA3 0.523 4.483 3.960 -0.000 0.000 0.292 425 G C -2.072 172.954 174.900 0.210 0.000 1.450 425 G CA -0.407 44.642 45.100 -0.084 0.000 0.837 425 G HN -0.007 nan 8.290 nan 0.000 0.505 426 F N 0.518 120.536 119.950 0.113 0.000 2.608 426 F HA 0.800 5.327 4.527 0.000 0.000 0.309 426 F C -1.099 174.639 175.800 -0.104 0.000 1.103 426 F CA -0.971 57.016 58.000 -0.022 0.000 0.954 426 F CB 2.109 41.053 39.000 -0.094 0.000 1.267 426 F HN 0.522 nan 8.300 nan 0.000 0.444 427 I N 5.403 125.398 120.570 -0.957 0.000 2.686 427 I HA 0.747 4.917 4.170 -0.000 0.000 0.295 427 I C -1.834 173.572 176.117 -1.185 0.000 1.114 427 I CA -0.708 60.028 61.300 -0.940 0.000 1.038 427 I CB 1.967 39.384 38.000 -0.971 0.000 1.238 427 I HN 0.368 nan 8.210 nan 0.000 0.420 428 V N 6.836 126.146 119.914 -1.007 0.000 2.709 428 V HA 0.561 4.681 4.120 -0.000 0.000 0.308 428 V C -1.090 174.525 176.094 -0.797 0.000 1.062 428 V CA -0.531 61.242 62.300 -0.879 0.000 0.901 428 V CB 1.845 33.133 31.823 -0.890 0.000 1.003 428 V HN 0.491 nan 8.190 nan 0.000 0.425 429 F N 2.300 121.982 119.950 -0.447 0.000 2.551 429 F HA 0.589 5.116 4.527 0.000 0.000 0.316 429 F C 0.031 175.601 175.800 -0.383 0.000 1.089 429 F CA -0.666 57.150 58.000 -0.306 0.000 0.915 429 F CB 2.049 40.885 39.000 -0.274 0.000 1.186 429 F HN 0.466 nan 8.300 nan 0.000 0.456 430 N N 1.766 120.417 118.700 -0.081 0.000 2.573 430 N HA 0.214 4.954 4.740 -0.000 0.000 0.262 430 N C -0.900 174.534 175.510 -0.126 0.000 1.029 430 N CA -0.265 52.694 53.050 -0.151 0.000 0.882 430 N CB 0.634 39.059 38.487 -0.104 0.000 1.204 430 N HN 0.560 nan 8.380 nan 0.000 0.519 431 N N 1.945 120.529 118.700 -0.195 0.000 2.234 431 N HA 0.173 4.913 4.740 -0.000 0.000 0.227 431 N C -1.025 174.316 175.510 -0.281 0.000 1.151 431 N CA -0.168 52.762 53.050 -0.200 0.000 0.865 431 N CB 0.334 38.693 38.487 -0.214 0.000 1.066 431 N HN 0.513 nan 8.380 nan 0.000 0.515 432 D N -0.498 119.642 120.400 -0.433 0.000 2.388 432 D HA 0.148 4.788 4.640 -0.000 0.000 0.254 432 D C -0.202 175.773 176.300 -0.541 0.000 1.111 432 D CA -0.090 53.461 54.000 -0.748 0.000 0.993 432 D CB 0.900 40.766 40.800 -1.558 0.000 1.118 432 D HN 0.055 nan 8.370 nan 0.000 0.502 433 D N 0.803 120.960 120.400 -0.404 0.000 2.538 433 D HA 0.157 4.797 4.640 -0.000 0.000 0.234 433 D C -0.231 176.219 176.300 0.251 0.000 1.191 433 D CA -0.084 53.921 54.000 0.009 0.000 0.828 433 D CB -0.046 40.845 40.800 0.150 0.000 0.981 433 D HN 0.305 nan 8.370 nan 0.000 0.490 434 W N -1.421 119.915 121.300 0.059 0.000 3.025 434 W HA 0.511 5.171 4.660 -0.000 0.000 0.343 434 W C -0.674 175.901 176.519 0.093 0.000 1.246 434 W CA -0.966 56.418 57.345 0.066 0.000 1.178 434 W CB 0.025 29.520 29.460 0.059 0.000 1.463 434 W HN -0.407 nan 8.180 nan 0.000 0.578 435 S N 1.068 116.981 115.700 0.355 0.000 2.617 435 S HA 0.514 4.984 4.470 -0.000 0.000 0.269 435 S C -1.298 173.497 174.600 0.324 0.000 1.292 435 S CA -0.398 57.954 58.200 0.253 0.000 1.010 435 S CB 0.592 63.910 63.200 0.198 0.000 0.944 435 S HN 0.403 nan 8.310 nan 0.000 0.536 436 F N 1.613 121.626 119.950 0.106 0.000 2.467 436 F HA 0.576 5.103 4.527 -0.000 0.000 0.336 436 F C -0.050 175.795 175.800 0.076 0.000 1.123 436 F CA -0.240 57.817 58.000 0.096 0.000 0.964 436 F CB 1.326 40.348 39.000 0.037 0.000 1.136 436 F HN 0.425 nan 8.300 nan 0.000 0.447 437 S N 7.220 122.590 115.700 -0.549 0.000 2.511 437 S HA 0.687 5.157 4.470 -0.000 0.000 0.233 437 S C -1.907 172.334 174.600 -0.600 0.000 1.104 437 S CA -0.409 57.556 58.200 -0.392 0.000 1.129 437 S CB 0.343 63.542 63.200 -0.001 0.000 1.159 437 S HN 0.711 nan 8.310 nan 0.000 0.451 438 L N 3.003 123.663 121.223 -0.939 0.000 2.518 438 L HA 0.647 4.987 4.340 -0.000 0.000 0.257 438 L C -0.604 176.027 176.870 -0.397 0.000 0.980 438 L CA -0.044 54.433 54.840 -0.606 0.000 0.837 438 L CB 2.382 43.977 42.059 -0.773 0.000 1.410 438 L HN 0.458 nan 8.230 nan 0.000 0.410 439 T N 4.110 118.605 114.554 -0.100 0.000 2.733 439 T HA 0.604 4.954 4.350 -0.000 0.000 0.294 439 T C -0.627 174.075 174.700 0.004 0.000 0.956 439 T CA -0.239 61.876 62.100 0.025 0.000 0.987 439 T CB 0.371 69.294 68.868 0.091 0.000 0.920 439 T HN 0.163 nan 8.240 nan 0.000 0.470 440 L N 3.045 124.326 121.223 0.097 0.000 2.322 440 L HA 0.546 4.886 4.340 -0.000 0.000 0.269 440 L C 0.182 177.034 176.870 -0.029 0.000 1.012 440 L CA -1.010 53.858 54.840 0.047 0.000 0.815 440 L CB 1.589 43.733 42.059 0.141 0.000 1.295 440 L HN 0.540 nan 8.230 nan 0.000 0.438 441 Q N 0.030 119.795 119.800 -0.057 0.000 2.294 441 Q HA 0.266 4.606 4.340 -0.000 0.000 0.257 441 Q C 0.611 176.410 176.000 -0.334 0.000 0.955 441 Q CA 0.357 56.093 55.803 -0.112 0.000 0.936 441 Q CB 1.031 29.761 28.738 -0.014 0.000 1.188 441 Q HN 0.748 nan 8.270 nan 0.000 0.420 442 T N 0.237 114.484 114.554 -0.511 0.000 3.014 442 T HA 0.271 4.621 4.350 -0.000 0.000 0.250 442 T C 1.277 175.774 174.700 -0.338 0.000 1.060 442 T CA 0.391 61.913 62.100 -0.965 0.000 1.040 442 T CB -0.054 68.284 68.868 -0.883 0.000 0.971 442 T HN 1.023 nan 8.240 nan 0.000 0.497 443 G N 1.140 109.845 108.800 -0.159 0.000 2.168 443 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.263 443 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.263 443 G C -0.204 174.675 174.900 -0.035 0.000 0.977 443 G CA 0.321 45.397 45.100 -0.041 0.000 0.659 443 G HN 0.551 nan 8.290 nan 0.000 0.533 444 L N 1.375 122.545 121.223 -0.089 0.000 2.375 444 L HA 0.637 4.977 4.340 -0.000 0.000 0.268 444 L C -1.514 175.370 176.870 0.024 0.000 1.058 444 L CA -2.661 52.151 54.840 -0.048 0.000 0.803 444 L CB 0.801 42.745 42.059 -0.191 0.000 1.212 444 L HN -0.072 nan 8.230 nan 0.000 0.451 445 P HA 0.166 nan 4.420 nan 0.000 0.271 445 P C -0.918 176.484 177.300 0.171 0.000 1.218 445 P CA -0.527 62.641 63.100 0.113 0.000 0.780 445 P CB 0.503 32.267 31.700 0.107 0.000 0.901 446 A N 2.147 125.028 122.820 0.102 0.000 2.561 446 A HA 0.477 4.797 4.320 -0.000 0.000 0.234 446 A C 0.883 178.528 177.584 0.101 0.000 1.055 446 A CA 1.188 53.287 52.037 0.103 0.000 0.756 446 A CB -0.997 18.033 19.000 0.051 0.000 0.986 446 A HN 0.890 nan 8.150 nan 0.000 0.505 447 G N -0.151 108.722 108.800 0.121 0.000 2.341 447 G HA2 0.460 4.420 3.960 -0.000 0.000 0.293 447 G HA3 0.460 4.420 3.960 -0.000 0.000 0.293 447 G C -0.793 174.120 174.900 0.021 0.000 1.298 447 G CA -0.163 44.925 45.100 -0.020 0.000 0.868 447 G HN 0.972 nan 8.290 nan 0.000 0.540 448 T N 0.726 115.197 114.554 -0.140 0.000 2.794 448 T HA 0.663 5.013 4.350 -0.000 0.000 0.280 448 T C -1.308 173.220 174.700 -0.286 0.000 0.987 448 T CA 0.097 62.112 62.100 -0.141 0.000 0.993 448 T CB 0.866 69.678 68.868 -0.093 0.000 0.939 448 T HN 0.381 nan 8.240 nan 0.000 0.449 449 Y N 0.485 120.642 120.300 -0.238 0.000 2.446 449 Y HA 0.418 4.968 4.550 -0.000 0.000 0.345 449 Y C 0.283 176.060 175.900 -0.205 0.000 0.984 449 Y CA -1.117 56.871 58.100 -0.187 0.000 1.058 449 Y CB 1.130 39.505 38.460 -0.141 0.000 1.220 449 Y HN 0.595 nan 8.280 nan 0.000 0.455 450 c N 2.192 120.777 118.600 -0.025 0.000 2.514 450 c HA 0.178 4.748 4.570 -0.000 0.000 0.392 450 c C 0.352 174.419 174.090 -0.038 0.000 1.294 450 c CA -0.684 55.610 56.329 -0.058 0.000 1.957 450 c CB -0.477 41.994 42.510 -0.065 0.000 2.541 450 c HN 0.780 nan 8.230 nan 0.000 0.569 451 D N 1.657 122.029 120.400 -0.046 0.000 2.343 451 D HA 0.178 4.818 4.640 -0.000 0.000 0.255 451 D C 0.960 177.229 176.300 -0.052 0.000 1.187 451 D CA -0.342 53.632 54.000 -0.044 0.000 0.875 451 D CB 0.974 41.738 40.800 -0.060 0.000 1.136 451 D HN 0.432 nan 8.370 nan 0.000 0.469 452 V N 2.427 122.324 119.914 -0.029 0.000 3.573 452 V HA 0.027 4.146 4.120 -0.000 0.000 0.270 452 V C 1.473 177.537 176.094 -0.049 0.000 1.221 452 V CA 0.210 62.513 62.300 0.005 0.000 1.163 452 V CB -0.664 31.233 31.823 0.124 0.000 0.847 452 V HN 0.507 nan 8.190 nan 0.000 0.468 453 I N 2.232 122.703 120.570 -0.165 0.000 2.429 453 I HA -0.024 4.146 4.170 -0.000 0.000 0.247 453 I C 2.727 178.731 176.117 -0.189 0.000 1.099 453 I CA 1.956 63.085 61.300 -0.284 0.000 1.422 453 I CB -1.076 36.516 38.000 -0.681 0.000 1.112 453 I HN 0.584 nan 8.210 nan 0.000 0.430 454 S N -0.351 115.252 115.700 -0.162 0.000 2.470 454 S HA 0.267 4.737 4.470 -0.000 0.000 0.225 454 S C 1.085 175.650 174.600 -0.058 0.000 1.006 454 S CA 0.418 58.556 58.200 -0.102 0.000 0.934 454 S CB -0.000 63.145 63.200 -0.090 0.000 0.778 454 S HN 0.416 nan 8.310 nan 0.000 0.517 455 G N -0.223 108.549 108.800 -0.048 0.000 2.871 455 G HA2 0.584 4.544 3.960 -0.000 0.000 0.282 455 G HA3 0.584 4.544 3.960 -0.000 0.000 0.282 455 G C -2.148 172.750 174.900 -0.004 0.000 1.212 455 G CA -0.557 44.529 45.100 -0.022 0.000 0.812 455 G HN 0.209 nan 8.290 nan 0.000 0.547 456 D N -0.456 119.944 120.400 -0.000 0.000 2.602 456 D HA 0.279 4.919 4.640 -0.000 0.000 0.236 456 D C -1.084 175.213 176.300 -0.004 0.000 1.209 456 D CA -0.564 53.443 54.000 0.012 0.000 0.831 456 D CB 2.744 43.560 40.800 0.028 0.000 1.478 456 D HN 0.302 nan 8.370 nan 0.000 0.438 457 K N 1.935 122.331 120.400 -0.005 0.000 2.263 457 K HA 0.399 4.719 4.320 -0.000 0.000 0.282 457 K C -0.895 175.701 176.600 -0.007 0.000 1.089 457 K CA -0.235 56.040 56.287 -0.020 0.000 0.907 457 K CB 0.170 32.649 32.500 -0.035 0.000 1.148 457 K HN 0.407 nan 8.250 nan 0.000 0.470 458 I N 5.827 126.392 120.570 -0.008 0.000 2.411 458 I HA 0.061 4.231 4.170 -0.000 0.000 0.284 458 I C -0.060 176.054 176.117 -0.006 0.000 1.012 458 I CA -0.711 60.588 61.300 -0.001 0.000 1.119 458 I CB 1.249 39.253 38.000 0.005 0.000 1.261 458 I HN 0.818 nan 8.210 nan 0.000 0.448 459 N N 4.630 123.327 118.700 -0.006 0.000 2.650 459 N HA -0.243 4.497 4.740 -0.000 0.000 0.272 459 N C 0.645 176.146 175.510 -0.014 0.000 1.058 459 N CA 0.629 53.673 53.050 -0.009 0.000 0.765 459 N CB -1.259 37.226 38.487 -0.004 0.000 0.902 459 N HN 1.131 nan 8.380 nan 0.000 0.551 460 G N -0.471 108.316 108.800 -0.022 0.000 2.162 460 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 460 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 460 G C -0.162 174.720 174.900 -0.030 0.000 0.976 460 G CA 0.615 45.698 45.100 -0.029 0.000 0.655 460 G HN 0.796 nan 8.290 nan 0.000 0.533 461 N N -1.254 117.429 118.700 -0.027 0.000 2.416 461 N HA 0.524 5.264 4.740 -0.000 0.000 0.276 461 N C -0.614 174.877 175.510 -0.030 0.000 1.261 461 N CA 0.056 53.090 53.050 -0.026 0.000 0.790 461 N CB 1.713 40.191 38.487 -0.015 0.000 1.554 461 N HN 0.149 nan 8.380 nan 0.000 0.481 462 c N 0.398 118.977 118.600 -0.035 0.000 2.350 462 c HA 0.409 4.978 4.570 -0.000 0.000 0.348 462 c C 1.961 176.037 174.090 -0.024 0.000 1.260 462 c CA -0.520 55.786 56.329 -0.037 0.000 1.966 462 c CB 0.475 42.951 42.510 -0.057 0.000 2.380 462 c HN 0.819 nan 8.230 nan 0.000 0.535 463 T N -0.941 113.602 114.554 -0.019 0.000 3.107 463 T HA 0.361 4.711 4.350 -0.000 0.000 0.249 463 T C 0.767 175.457 174.700 -0.016 0.000 1.096 463 T CA 0.552 62.645 62.100 -0.012 0.000 1.012 463 T CB 0.107 68.972 68.868 -0.005 0.000 0.977 463 T HN 0.907 nan 8.240 nan 0.000 0.527 464 G N 0.829 109.614 108.800 -0.025 0.000 3.214 464 G HA2 0.639 4.599 3.960 -0.000 0.000 0.188 464 G HA3 0.639 4.599 3.960 -0.000 0.000 0.188 464 G C -0.848 174.031 174.900 -0.035 0.000 1.126 464 G CA -1.233 43.850 45.100 -0.030 0.000 0.796 464 G HN 0.384 nan 8.290 nan 0.000 0.631 465 I N 0.929 121.474 120.570 -0.042 0.000 2.813 465 I HA 0.165 4.335 4.170 -0.000 0.000 0.287 465 I C 0.002 176.069 176.117 -0.084 0.000 1.196 465 I CA 0.539 61.812 61.300 -0.045 0.000 1.421 465 I CB 0.774 38.753 38.000 -0.035 0.000 1.365 465 I HN 0.191 nan 8.210 nan 0.000 0.591 466 K N 6.142 126.463 120.400 -0.132 0.000 2.259 466 K HA 0.638 4.958 4.320 -0.000 0.000 0.252 466 K C -1.122 175.214 176.600 -0.439 0.000 0.936 466 K CA -0.629 55.483 56.287 -0.292 0.000 0.810 466 K CB 2.111 34.380 32.500 -0.385 0.000 1.143 466 K HN 0.298 nan 8.250 nan 0.000 0.427 467 I N 2.803 123.094 120.570 -0.464 0.000 2.530 467 I HA 0.305 4.475 4.170 -0.000 0.000 0.297 467 I C -0.910 174.900 176.117 -0.510 0.000 1.011 467 I CA -0.887 60.152 61.300 -0.434 0.000 1.107 467 I CB 1.349 39.179 38.000 -0.283 0.000 1.285 467 I HN 0.570 nan 8.210 nan 0.000 0.436 468 Y N 4.189 124.440 120.300 -0.081 0.000 2.345 468 Y HA 0.452 5.002 4.550 -0.000 0.000 0.331 468 Y C 0.122 175.993 175.900 -0.049 0.000 0.959 468 Y CA -0.926 57.157 58.100 -0.027 0.000 1.204 468 Y CB 1.599 40.031 38.460 -0.045 0.000 1.135 468 Y HN 0.144 nan 8.280 nan 0.000 0.477 469 V N 3.850 123.846 119.914 0.136 0.000 2.407 469 V HA 0.333 4.453 4.120 -0.000 0.000 0.278 469 V C 0.308 176.446 176.094 0.073 0.000 1.037 469 V CA -0.760 61.576 62.300 0.059 0.000 0.900 469 V CB 1.070 32.931 31.823 0.064 0.000 0.983 469 V HN 0.903 nan 8.190 nan 0.000 0.459 470 S N 2.650 118.367 115.700 0.028 0.000 2.661 470 S HA 0.193 4.663 4.470 -0.000 0.000 0.265 470 S C 0.776 175.387 174.600 0.018 0.000 1.225 470 S CA -0.512 57.701 58.200 0.021 0.000 0.986 470 S CB 0.683 63.885 63.200 0.003 0.000 1.008 470 S HN 0.658 nan 8.310 nan 0.000 0.565 471 D N 1.237 121.644 120.400 0.012 0.000 2.182 471 D HA -0.086 4.554 4.640 -0.000 0.000 0.201 471 D C 0.910 177.214 176.300 0.007 0.000 0.986 471 D CA 1.570 55.576 54.000 0.011 0.000 0.847 471 D CB -0.519 40.285 40.800 0.006 0.000 0.942 471 D HN 0.830 nan 8.370 nan 0.000 0.467 472 D N -1.390 119.010 120.400 0.001 0.000 2.336 472 D HA 0.220 4.860 4.640 -0.000 0.000 0.228 472 D C 1.422 177.714 176.300 -0.013 0.000 1.120 472 D CA 0.387 54.386 54.000 -0.002 0.000 0.839 472 D CB -0.148 40.651 40.800 -0.001 0.000 0.932 472 D HN 0.154 nan 8.370 nan 0.000 0.509 473 G N 0.070 108.858 108.800 -0.019 0.000 2.184 473 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.264 473 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.264 473 G C 0.214 175.061 174.900 -0.089 0.000 0.975 473 G CA 0.170 45.239 45.100 -0.051 0.000 0.642 473 G HN 0.455 nan 8.290 nan 0.000 0.536 474 K N 0.421 120.786 120.400 -0.058 0.000 2.144 474 K HA 0.725 5.045 4.320 -0.000 0.000 0.270 474 K C 0.195 176.754 176.600 -0.068 0.000 1.005 474 K CA 0.300 56.551 56.287 -0.061 0.000 0.932 474 K CB 1.588 34.072 32.500 -0.027 0.000 1.021 474 K HN 0.750 nan 8.250 nan 0.000 0.462 475 A N 1.699 124.471 122.820 -0.080 0.000 2.574 475 A HA 0.308 4.628 4.320 -0.000 0.000 0.297 475 A C -1.887 175.573 177.584 -0.207 0.000 1.062 475 A CA -0.710 51.219 52.037 -0.180 0.000 0.686 475 A CB 1.026 19.812 19.000 -0.356 0.000 1.285 475 A HN 0.859 nan 8.150 nan 0.000 0.403 476 H N 0.243 119.113 119.070 -0.334 0.000 2.473 476 H HA 0.713 5.269 4.556 -0.000 0.000 0.327 476 H C -1.571 173.511 175.328 -0.410 0.000 1.105 476 H CA -0.113 55.802 56.048 -0.223 0.000 1.280 476 H CB 0.528 30.221 29.762 -0.115 0.000 1.450 476 H HN 0.423 nan 8.280 nan 0.000 0.492 477 F N 2.351 122.062 119.950 -0.398 0.000 2.507 477 F HA 0.440 4.967 4.527 -0.000 0.000 0.325 477 F C -0.271 175.450 175.800 -0.131 0.000 1.116 477 F CA -0.668 57.284 58.000 -0.080 0.000 0.930 477 F CB 2.206 41.317 39.000 0.185 0.000 1.146 477 F HN 0.414 nan 8.300 nan 0.000 0.447 478 S N 4.231 120.066 115.700 0.226 0.000 2.707 478 S HA 0.730 5.200 4.470 -0.000 0.000 0.303 478 S C -0.844 173.899 174.600 0.238 0.000 1.132 478 S CA -0.496 57.835 58.200 0.218 0.000 1.046 478 S CB 0.894 64.218 63.200 0.208 0.000 1.004 478 S HN 0.436 nan 8.310 nan 0.000 0.483 479 I N 2.796 123.534 120.570 0.281 0.000 2.497 479 I HA 0.320 4.490 4.170 -0.000 0.000 0.284 479 I C 0.192 176.407 176.117 0.164 0.000 1.060 479 I CA -0.536 60.874 61.300 0.184 0.000 1.071 479 I CB 2.032 40.110 38.000 0.131 0.000 1.216 479 I HN 0.597 nan 8.210 nan 0.000 0.442 480 S N 3.888 119.658 115.700 0.116 0.000 2.586 480 S HA 0.177 4.647 4.470 -0.000 0.000 0.274 480 S C 1.112 175.756 174.600 0.074 0.000 1.281 480 S CA -0.738 57.524 58.200 0.105 0.000 1.035 480 S CB 0.996 64.250 63.200 0.089 0.000 0.962 480 S HN 0.748 nan 8.310 nan 0.000 0.512 481 N N 1.845 120.584 118.700 0.064 0.000 2.635 481 N HA -0.103 4.637 4.740 -0.000 0.000 0.191 481 N C 0.575 176.107 175.510 0.036 0.000 1.155 481 N CA 0.655 53.721 53.050 0.027 0.000 0.927 481 N CB -0.468 38.026 38.487 0.012 0.000 0.976 481 N HN 0.510 nan 8.380 nan 0.000 0.448 482 S N -0.335 115.394 115.700 0.048 0.000 2.556 482 S HA 0.312 4.782 4.470 -0.000 0.000 0.216 482 S C 0.925 175.547 174.600 0.037 0.000 0.970 482 S CA -0.303 57.922 58.200 0.042 0.000 0.912 482 S CB 0.183 63.410 63.200 0.045 0.000 0.790 482 S HN 0.626 nan 8.310 nan 0.000 0.504 483 A N 1.718 124.561 122.820 0.039 0.000 2.483 483 A HA 0.234 4.554 4.320 -0.000 0.000 0.238 483 A C 1.406 179.008 177.584 0.030 0.000 1.070 483 A CA -0.168 51.887 52.037 0.031 0.000 0.770 483 A CB 0.133 19.151 19.000 0.029 0.000 1.008 483 A HN 0.215 nan 8.150 nan 0.000 0.497 484 E N 0.921 121.131 120.200 0.016 0.000 2.160 484 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 484 E C -0.380 176.245 176.600 0.041 0.000 0.991 484 E CA 1.794 58.204 56.400 0.017 0.000 0.810 484 E CB 0.112 29.808 29.700 -0.006 0.000 0.742 484 E HN 0.620 nan 8.360 nan 0.000 0.466 485 D N 0.381 120.800 120.400 0.032 0.000 2.440 485 D HA 0.138 4.778 4.640 -0.000 0.000 0.252 485 D C -2.319 174.038 176.300 0.095 0.000 1.180 485 D CA -1.508 52.543 54.000 0.084 0.000 0.894 485 D CB 1.698 42.456 40.800 -0.071 0.000 1.111 485 D HN 0.096 nan 8.370 nan 0.000 0.544 486 P HA 0.095 nan 4.420 nan 0.000 0.261 486 P C -0.747 176.683 177.300 0.216 0.000 1.650 486 P CA -0.121 63.067 63.100 0.148 0.000 0.846 486 P CB -0.867 30.889 31.700 0.094 0.000 1.758 487 F N -1.634 118.240 119.950 -0.127 0.000 2.678 487 F HA 0.646 5.173 4.527 0.000 0.000 0.308 487 F C -1.717 173.912 175.800 -0.285 0.000 1.118 487 F CA -2.108 55.712 58.000 -0.300 0.000 0.959 487 F CB 0.782 39.512 39.000 -0.450 0.000 1.305 487 F HN -0.320 nan 8.300 nan 0.000 0.443 488 I N 2.542 122.895 120.570 -0.361 0.000 2.498 488 I HA 0.787 4.957 4.170 -0.000 0.000 0.290 488 I C -0.760 175.173 176.117 -0.308 0.000 1.032 488 I CA -1.094 60.024 61.300 -0.303 0.000 1.073 488 I CB 2.022 39.996 38.000 -0.043 0.000 1.251 488 I HN 1.013 nan 8.210 nan 0.000 0.426 489 A N 7.738 130.420 122.820 -0.231 0.000 2.374 489 A HA 0.909 5.229 4.320 -0.000 0.000 0.305 489 A C -0.844 176.796 177.584 0.094 0.000 1.053 489 A CA -0.498 51.466 52.037 -0.122 0.000 0.726 489 A CB 1.250 20.089 19.000 -0.268 0.000 1.229 489 A HN 0.715 nan 8.150 nan 0.000 0.431 490 I N 0.142 120.843 120.570 0.219 0.000 2.730 490 I HA 0.915 5.085 4.170 -0.000 0.000 0.298 490 I C -0.698 175.535 176.117 0.193 0.000 1.089 490 I CA -0.909 60.470 61.300 0.131 0.000 1.041 490 I CB 2.337 40.332 38.000 -0.008 0.000 1.235 490 I HN 0.937 nan 8.210 nan 0.000 0.423 491 H N 2.884 122.031 119.070 0.129 0.000 2.990 491 H HA 0.748 5.304 4.556 -0.000 0.000 0.343 491 H C 0.542 175.948 175.328 0.130 0.000 1.270 491 H CA -0.371 55.665 56.048 -0.019 0.000 1.118 491 H CB 1.263 30.861 29.762 -0.273 0.000 1.861 491 H HN 0.679 nan 8.280 nan 0.000 0.544 492 A N 0.355 123.322 122.820 0.245 0.000 1.940 492 A HA -0.254 4.065 4.320 -0.000 0.000 0.221 492 A C 1.566 179.249 177.584 0.165 0.000 1.190 492 A CA 2.161 54.328 52.037 0.217 0.000 0.647 492 A CB -0.735 18.335 19.000 0.117 0.000 0.821 492 A HN 0.767 nan 8.150 nan 0.000 0.457 493 E N -0.176 120.200 120.200 0.294 0.000 2.476 493 E HA 0.008 4.358 4.350 -0.000 0.000 0.191 493 E C 1.433 178.024 176.600 -0.015 0.000 1.064 493 E CA 0.800 57.300 56.400 0.167 0.000 0.866 493 E CB -0.064 29.784 29.700 0.247 0.000 0.952 493 E HN 0.762 nan 8.360 nan 0.000 0.492 494 S N -0.073 115.457 115.700 -0.283 0.000 2.554 494 S HA 0.102 4.572 4.470 -0.000 0.000 0.226 494 S C 0.766 175.269 174.600 -0.161 0.000 0.980 494 S CA -0.491 57.550 58.200 -0.267 0.000 0.939 494 S CB 0.159 63.082 63.200 -0.461 0.000 0.832 494 S HN -0.088 nan 8.310 nan 0.000 0.486 495 K N 1.716 121.995 120.400 -0.202 0.000 2.401 495 K HA 0.374 4.694 4.320 -0.000 0.000 0.278 495 K C -0.230 176.175 176.600 -0.324 0.000 1.018 495 K CA -0.542 55.440 56.287 -0.510 0.000 0.981 495 K CB 0.182 32.357 32.500 -0.542 0.000 0.933 495 K HN 0.240 nan 8.250 nan 0.000 0.477 496 L N 0.000 121.020 121.223 -0.339 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.724 54.840 -0.193 0.000 0.813 496 L CB 0.000 41.964 42.059 -0.158 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502