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 2chn_1_B DATA FIRST_RESID 5 DATA SEQUENCE LQPPPQQLIV QNKTIDLPAV YQLNGGEEAN PHAVKVLKEL LXXXXXXXXG DATA SEQUENCE XLISIGEKGD KSVRKYSRQI PDHKEGYYLS VNEKEIVLAG NDERGTYYAL DATA SEQUENCE QTFAQLLKDG KLPEVEIKDY PSVRYRGVVE GFYGTPWSHQ ARLSQLKFYG DATA SEQUENCE KNKXNTYIYG PKDDPYHSAP NWRLPYPDKE AAQLQELVAV ANENEVDFVW DATA SEQUENCE AIHPGQDIKW NKEDRDLLLA KFEKXYQLGV RSFAVFFDDI SGEGTNPQKQ DATA SEQUENCE AELLNYIDEK FAQVKPDINQ LVXCPTEYNK SWSNPNGNYL TTLGDKLNPS DATA SEQUENCE IQIXWTGDRV ISDITRDGIS WINERIKRPA YIWWNFPVSD YVRDHLLLGP DATA SEQUENCE VYGNDTTIAK EXSGFVTNPX EHAESSKIAI YSVASYAWNP AKYDTWQTWK DATA SEQUENCE DAIRTILPSA AEELECFAXH NSDLGPNGHG YRREESXDIQ PAAERFLKAF DATA SEQUENCE KEGKNYDKAD FETLQYTFER XKESADILLX NTENKPLIVE ITPWVHQFKL DATA SEQUENCE TAEXGEEVLK XVEGRNESYF LRKYNHVKAL QQQXFYIDQT SNQNPYQPGV DATA SEQUENCE KTATRVIKPL IDRTFATVVK FFNQKFNAHL DATTDYXPHK XXXXXXXXXN DATA SEQUENCE LPLQVKANRV LISPXXXXXX XXXXXXVEIE LDAIYPGENI QINFXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXRLSAGL QKAPVKFVRF XXXXXXXXXX DATA SEQUENCE XXXXFVLTIE K 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.825 176.870 -0.076 0.000 1.165 5 L CA 0.000 54.806 54.840 -0.056 0.000 0.813 5 L CB 0.000 42.025 42.059 -0.058 0.000 0.961 6 Q N 2.499 122.216 119.800 -0.139 0.000 2.304 6 Q HA 0.491 4.831 4.340 -0.000 0.000 0.270 6 Q C -2.599 173.162 176.000 -0.398 0.000 1.035 6 Q CA -1.779 53.886 55.803 -0.229 0.000 0.781 6 Q CB 3.100 31.701 28.738 -0.229 0.000 1.261 6 Q HN 0.216 nan 8.270 nan 0.000 0.444 7 P HA 0.081 nan 4.420 nan 0.000 0.269 7 P C -2.427 174.741 177.300 -0.220 0.000 1.215 7 P CA -0.870 62.029 63.100 -0.335 0.000 0.780 7 P CB -0.037 31.378 31.700 -0.474 0.000 0.898 8 P HA 0.131 nan 4.420 nan 0.000 0.271 8 P C -2.504 174.816 177.300 0.034 0.000 1.226 8 P CA -1.366 61.726 63.100 -0.013 0.000 0.765 8 P CB -0.519 31.192 31.700 0.020 0.000 0.835 9 P HA 0.068 nan 4.420 nan 0.000 0.272 9 P C 1.195 178.490 177.300 -0.009 0.000 1.240 9 P CA -0.039 63.101 63.100 0.066 0.000 0.791 9 P CB 0.594 32.318 31.700 0.040 0.000 0.978 10 Q N -0.034 119.698 119.800 -0.113 0.000 2.050 10 Q HA -0.138 4.201 4.340 -0.000 0.000 0.202 10 Q C 0.752 176.684 176.000 -0.113 0.000 0.980 10 Q CA 1.656 57.315 55.803 -0.241 0.000 0.840 10 Q CB 0.039 28.409 28.738 -0.613 0.000 0.898 10 Q HN 0.592 nan 8.270 nan 0.000 0.424 11 Q N -0.363 119.396 119.800 -0.068 0.000 2.305 11 Q HA 0.546 4.886 4.340 -0.000 0.000 0.271 11 Q C -1.892 174.113 176.000 0.008 0.000 1.046 11 Q CA -0.274 55.522 55.803 -0.011 0.000 0.798 11 Q CB 1.650 30.400 28.738 0.020 0.000 1.286 11 Q HN 0.183 nan 8.270 nan 0.000 0.435 12 L N 6.084 127.317 121.223 0.016 0.000 2.406 12 L HA 0.602 4.942 4.340 -0.000 0.000 0.272 12 L C -1.653 175.234 176.870 0.028 0.000 0.980 12 L CA -0.732 54.122 54.840 0.023 0.000 0.831 12 L CB 1.570 43.638 42.059 0.014 0.000 1.253 12 L HN 0.743 nan 8.230 nan 0.000 0.406 13 I N 5.678 126.270 120.570 0.037 0.000 2.410 13 I HA 0.376 4.546 4.170 -0.000 0.000 0.286 13 I C -0.477 175.657 176.117 0.029 0.000 1.009 13 I CA -0.652 60.669 61.300 0.035 0.000 1.111 13 I CB 2.086 40.115 38.000 0.047 0.000 1.262 13 I HN 0.273 nan 8.210 nan 0.000 0.443 14 V N 6.355 126.281 119.914 0.021 0.000 2.667 14 V HA 0.338 4.458 4.120 -0.000 0.000 0.308 14 V C 0.159 176.262 176.094 0.016 0.000 1.048 14 V CA -0.064 62.246 62.300 0.016 0.000 0.928 14 V CB 2.106 33.934 31.823 0.009 0.000 1.004 14 V HN 0.812 nan 8.190 nan 0.000 0.444 15 Q N 3.409 123.217 119.800 0.015 0.000 2.198 15 Q HA 0.316 4.655 4.340 -0.000 0.000 0.209 15 Q C 0.535 176.541 176.000 0.011 0.000 0.848 15 Q CA 0.228 56.040 55.803 0.016 0.000 0.974 15 Q CB -0.331 28.419 28.738 0.020 0.000 1.115 15 Q HN 0.891 nan 8.270 nan 0.000 0.494 16 N N 1.725 120.429 118.700 0.007 0.000 2.678 16 N HA -0.251 4.489 4.740 -0.000 0.000 0.268 16 N C -1.423 174.090 175.510 0.005 0.000 1.010 16 N CA 0.916 53.969 53.050 0.004 0.000 0.784 16 N CB -0.556 37.934 38.487 0.005 0.000 0.905 16 N HN 0.242 nan 8.380 nan 0.000 0.552 17 K N 0.308 120.710 120.400 0.003 0.000 2.579 17 K HA 0.235 4.555 4.320 -0.000 0.000 0.257 17 K C -1.103 175.498 176.600 0.001 0.000 0.950 17 K CA -0.349 55.941 56.287 0.005 0.000 0.862 17 K CB 0.792 33.298 32.500 0.010 0.000 1.317 17 K HN 0.319 nan 8.250 nan 0.000 0.436 18 T N 1.320 115.874 114.554 -0.001 0.000 2.885 18 T HA 0.761 5.111 4.350 -0.000 0.000 0.285 18 T C 0.253 174.952 174.700 -0.001 0.000 1.019 18 T CA -0.842 61.255 62.100 -0.006 0.000 1.010 18 T CB 1.046 69.906 68.868 -0.013 0.000 1.022 18 T HN 0.547 nan 8.240 nan 0.000 0.466 19 I N -1.178 119.391 120.570 -0.002 0.000 3.170 19 I HA 0.760 4.930 4.170 -0.000 0.000 0.312 19 I C -1.298 174.818 176.117 -0.001 0.000 1.085 19 I CA -1.223 60.080 61.300 0.005 0.000 0.999 19 I CB 2.064 40.074 38.000 0.017 0.000 1.233 19 I HN 0.402 nan 8.210 nan 0.000 0.467 20 D N 2.711 123.115 120.400 0.007 0.000 2.163 20 D HA 0.350 4.990 4.640 -0.000 0.000 0.248 20 D C -0.320 175.988 176.300 0.014 0.000 1.035 20 D CA -0.309 53.693 54.000 0.004 0.000 0.872 20 D CB 2.519 43.325 40.800 0.010 0.000 1.183 20 D HN 0.491 nan 8.370 nan 0.000 0.445 21 L N 3.626 124.850 121.223 0.002 0.000 2.628 21 L HA 0.044 4.384 4.340 -0.000 0.000 0.274 21 L C -1.736 175.159 176.870 0.042 0.000 1.209 21 L CA -0.854 53.995 54.840 0.015 0.000 0.930 21 L CB 0.283 42.335 42.059 -0.012 0.000 1.183 21 L HN 0.102 nan 8.230 nan 0.000 0.492 22 P HA -0.003 nan 4.420 nan 0.000 0.261 22 P C 0.275 177.664 177.300 0.149 0.000 1.203 22 P CA -0.064 63.101 63.100 0.108 0.000 0.767 22 P CB 1.037 32.828 31.700 0.153 0.000 0.785 23 A N 4.543 127.426 122.820 0.105 0.000 1.948 23 A HA -0.058 4.262 4.320 -0.000 0.000 0.220 23 A C 0.983 178.640 177.584 0.121 0.000 1.177 23 A CA 1.414 53.511 52.037 0.100 0.000 0.636 23 A CB -0.413 18.621 19.000 0.056 0.000 0.815 23 A HN 0.460 nan 8.150 nan 0.000 0.449 24 V N -0.430 119.547 119.914 0.104 0.000 2.540 24 V HA 0.569 4.689 4.120 -0.000 0.000 0.302 24 V C -0.740 175.415 176.094 0.101 0.000 1.035 24 V CA -0.659 61.665 62.300 0.039 0.000 0.873 24 V CB 1.078 32.894 31.823 -0.011 0.000 0.992 24 V HN 0.521 nan 8.190 nan 0.000 0.428 25 Y N 1.446 121.754 120.300 0.013 0.000 2.571 25 Y HA 0.751 5.301 4.550 -0.000 0.000 0.341 25 Y C -0.775 175.131 175.900 0.010 0.000 1.076 25 Y CA -1.194 56.914 58.100 0.013 0.000 1.029 25 Y CB 1.881 40.350 38.460 0.015 0.000 1.308 25 Y HN 0.569 nan 8.280 nan 0.000 0.461 26 Q N 3.528 123.422 119.800 0.157 0.000 2.325 26 Q HA 0.457 4.797 4.340 -0.000 0.000 0.262 26 Q C -1.848 174.282 176.000 0.218 0.000 0.968 26 Q CA -0.913 54.947 55.803 0.095 0.000 0.877 26 Q CB 1.576 30.346 28.738 0.054 0.000 1.253 26 Q HN 0.905 nan 8.270 nan 0.000 0.448 27 L N 4.773 126.123 121.223 0.212 0.000 2.265 27 L HA 0.486 4.826 4.340 -0.000 0.000 0.289 27 L C -1.352 175.574 176.870 0.095 0.000 1.033 27 L CA -0.253 54.700 54.840 0.189 0.000 0.814 27 L CB 1.105 43.316 42.059 0.255 0.000 1.203 27 L HN 0.726 nan 8.230 nan 0.000 0.423 28 N N 3.180 121.921 118.700 0.069 0.000 2.443 28 N HA 0.572 5.312 4.740 -0.000 0.000 0.269 28 N C 0.419 175.954 175.510 0.042 0.000 0.985 28 N CA 0.613 53.695 53.050 0.055 0.000 0.921 28 N CB 1.494 40.020 38.487 0.064 0.000 1.195 28 N HN 0.805 nan 8.380 nan 0.000 0.492 29 G N 1.782 110.603 108.800 0.036 0.000 2.159 29 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.227 29 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.227 29 G C 0.960 175.870 174.900 0.017 0.000 0.986 29 G CA 0.222 45.338 45.100 0.027 0.000 0.651 29 G HN 0.852 nan 8.290 nan 0.000 0.523 30 G N 0.169 108.981 108.800 0.021 0.000 2.450 30 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.220 30 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.220 30 G C 1.279 176.185 174.900 0.010 0.000 1.130 30 G CA 1.534 46.644 45.100 0.017 0.000 0.760 30 G HN 0.495 nan 8.290 nan 0.000 0.557 31 E N 0.205 120.412 120.200 0.011 0.000 2.442 31 E HA 0.054 4.403 4.350 -0.000 0.000 0.195 31 E C 1.686 178.285 176.600 -0.001 0.000 1.030 31 E CA 0.535 56.938 56.400 0.005 0.000 0.869 31 E CB 0.351 30.055 29.700 0.007 0.000 0.857 31 E HN 0.509 nan 8.360 nan 0.000 0.505 32 E N -0.090 120.111 120.200 0.001 0.000 2.514 32 E HA 0.234 4.584 4.350 -0.000 0.000 0.215 32 E C 0.338 176.936 176.600 -0.004 0.000 0.946 32 E CA 0.135 56.535 56.400 -0.001 0.000 1.038 32 E CB 0.737 30.442 29.700 0.008 0.000 1.069 32 E HN 0.092 nan 8.360 nan 0.000 0.503 33 A N 1.219 124.036 122.820 -0.005 0.000 2.272 33 A HA 0.270 4.590 4.320 -0.000 0.000 0.275 33 A C 0.287 177.855 177.584 -0.027 0.000 1.096 33 A CA -0.547 51.486 52.037 -0.007 0.000 0.822 33 A CB 0.121 19.118 19.000 -0.005 0.000 1.088 33 A HN 0.108 nan 8.150 nan 0.000 0.495 34 N N 0.694 119.377 118.700 -0.028 0.000 2.315 34 N HA -0.002 4.738 4.740 -0.000 0.000 0.270 34 N C -1.751 173.720 175.510 -0.065 0.000 1.329 34 N CA -1.189 51.822 53.050 -0.065 0.000 0.860 34 N CB 0.600 39.076 38.487 -0.019 0.000 1.095 34 N HN 0.169 nan 8.380 nan 0.000 0.487 35 P HA -0.127 nan 4.420 nan 0.000 0.216 35 P C 0.581 177.891 177.300 0.017 0.000 1.150 35 P CA 1.524 64.572 63.100 -0.087 0.000 0.837 35 P CB 0.035 31.648 31.700 -0.145 0.000 0.786 36 H N -0.516 118.579 119.070 0.041 0.000 2.353 36 H HA -0.057 4.499 4.556 -0.000 0.000 0.300 36 H C 2.052 177.506 175.328 0.210 0.000 1.090 36 H CA 0.924 57.030 56.048 0.098 0.000 1.327 36 H CB -0.410 29.354 29.762 0.004 0.000 1.383 36 H HN 0.091 nan 8.280 nan 0.000 0.508 37 A N 0.732 123.737 122.820 0.309 0.000 1.898 37 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 37 A C 2.590 180.210 177.584 0.061 0.000 1.181 37 A CA 1.423 53.564 52.037 0.172 0.000 0.620 37 A CB -0.698 18.359 19.000 0.096 0.000 0.819 37 A HN 0.210 nan 8.150 nan 0.000 0.442 38 V N 0.270 120.214 119.914 0.049 0.000 2.343 38 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 38 V C 2.485 178.599 176.094 0.034 0.000 1.051 38 V CA 2.353 64.665 62.300 0.019 0.000 1.036 38 V CB -0.742 31.089 31.823 0.013 0.000 0.654 38 V HN 0.682 nan 8.190 nan 0.000 0.451 39 K N 0.200 120.641 120.400 0.069 0.000 2.020 39 K HA -0.202 4.118 4.320 -0.000 0.000 0.212 39 K C 2.060 178.693 176.600 0.054 0.000 1.050 39 K CA 2.039 58.369 56.287 0.071 0.000 0.929 39 K CB -0.328 32.237 32.500 0.108 0.000 0.714 39 K HN 0.316 nan 8.250 nan 0.000 0.443 40 V N 1.475 121.424 119.914 0.060 0.000 2.287 40 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 40 V C 2.318 178.416 176.094 0.008 0.000 1.053 40 V CA 1.753 64.066 62.300 0.021 0.000 1.027 40 V CB -0.582 31.224 31.823 -0.029 0.000 0.646 40 V HN 0.377 nan 8.190 nan 0.000 0.447 41 L N 0.216 121.435 121.223 -0.008 0.000 1.989 41 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 41 L C 2.435 179.290 176.870 -0.024 0.000 1.071 41 L CA 2.049 56.871 54.840 -0.030 0.000 0.749 41 L CB -0.803 41.201 42.059 -0.092 0.000 0.890 41 L HN 0.221 nan 8.230 nan 0.000 0.431 42 K N -0.537 119.858 120.400 -0.008 0.000 2.063 42 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 42 K C 1.963 178.574 176.600 0.018 0.000 1.048 42 K CA 1.947 58.241 56.287 0.012 0.000 0.928 42 K CB -0.225 32.297 32.500 0.037 0.000 0.713 42 K HN 0.482 nan 8.250 nan 0.000 0.442 43 E N 0.812 121.022 120.200 0.018 0.000 2.097 43 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 43 E C 1.943 178.546 176.600 0.006 0.000 1.000 43 E CA 1.102 57.511 56.400 0.014 0.000 0.804 43 E CB -0.142 29.566 29.700 0.012 0.000 0.740 43 E HN 0.246 nan 8.360 nan 0.000 0.454 44 L N 0.897 122.122 121.223 0.004 0.000 2.362 44 L HA -0.001 4.339 4.340 -0.000 0.000 0.219 44 L C 1.301 178.165 176.870 -0.010 0.000 1.134 44 L CA 0.379 55.219 54.840 -0.001 0.000 0.807 44 L CB -0.305 41.777 42.059 0.038 0.000 0.927 44 L HN 0.210 nan 8.230 nan 0.000 0.447 57 I N 3.515 124.119 120.570 0.056 0.000 2.382 57 I HA 0.480 4.650 4.170 -0.000 0.000 0.286 57 I C -0.307 175.798 176.117 -0.019 0.000 1.002 57 I CA -0.467 60.815 61.300 -0.029 0.000 1.135 57 I CB 1.877 39.819 38.000 -0.097 0.000 1.288 57 I HN 0.528 nan 8.210 nan 0.000 0.448 58 S N 7.298 122.972 115.700 -0.044 0.000 2.433 58 S HA 0.587 5.057 4.470 -0.000 0.000 0.310 58 S C -0.420 174.144 174.600 -0.061 0.000 1.097 58 S CA -0.471 57.726 58.200 -0.005 0.000 1.103 58 S CB 1.514 64.760 63.200 0.078 0.000 0.992 58 S HN 0.498 nan 8.310 nan 0.000 0.469 59 I N 2.778 123.326 120.570 -0.036 0.000 2.509 59 I HA 0.827 4.997 4.170 -0.000 0.000 0.293 59 I C 0.030 176.147 176.117 -0.001 0.000 1.020 59 I CA 0.083 61.352 61.300 -0.052 0.000 1.088 59 I CB 1.499 39.451 38.000 -0.080 0.000 1.267 59 I HN 0.795 nan 8.210 nan 0.000 0.430 60 G N 5.093 113.900 108.800 0.012 0.000 2.313 60 G HA2 0.266 4.226 3.960 -0.000 0.000 0.296 60 G HA3 0.266 4.226 3.960 -0.000 0.000 0.296 60 G C -1.930 173.003 174.900 0.055 0.000 1.356 60 G CA -0.777 44.343 45.100 0.035 0.000 0.833 60 G HN 0.514 nan 8.290 nan 0.000 0.552 61 E N -0.122 120.110 120.200 0.053 0.000 2.280 61 E HA 0.404 4.754 4.350 -0.000 0.000 0.264 61 E C 1.554 178.199 176.600 0.075 0.000 1.064 61 E CA -0.381 56.059 56.400 0.066 0.000 0.900 61 E CB 1.309 31.037 29.700 0.047 0.000 1.123 61 E HN 0.659 nan 8.360 nan 0.000 0.418 62 K N 0.081 120.528 120.400 0.079 0.000 2.113 62 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 62 K C 1.435 178.069 176.600 0.056 0.000 1.047 62 K CA 1.739 58.072 56.287 0.077 0.000 0.928 62 K CB -0.273 32.266 32.500 0.064 0.000 0.716 62 K HN 0.485 nan 8.250 nan 0.000 0.446 63 G N 1.038 109.863 108.800 0.041 0.000 2.880 63 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.209 63 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.209 63 G C -0.392 174.525 174.900 0.028 0.000 1.157 63 G CA -0.206 44.911 45.100 0.027 0.000 0.779 63 G HN 0.241 nan 8.290 nan 0.000 0.539 64 D N 0.462 120.884 120.400 0.038 0.000 2.414 64 D HA 0.145 4.785 4.640 -0.000 0.000 0.242 64 D C 1.284 177.609 176.300 0.041 0.000 1.129 64 D CA -0.149 53.873 54.000 0.037 0.000 0.885 64 D CB 1.192 42.017 40.800 0.042 0.000 1.198 64 D HN -0.056 nan 8.370 nan 0.000 0.437 65 K N 0.944 121.363 120.400 0.031 0.000 2.077 65 K HA -0.218 4.102 4.320 -0.000 0.000 0.213 65 K C 1.974 178.602 176.600 0.046 0.000 1.051 65 K CA 1.801 58.105 56.287 0.028 0.000 0.929 65 K CB -0.184 32.330 32.500 0.022 0.000 0.715 65 K HN 0.520 nan 8.250 nan 0.000 0.451 66 S N 0.361 116.097 115.700 0.060 0.000 2.387 66 S HA -0.142 4.328 4.470 -0.000 0.000 0.230 66 S C 1.868 176.562 174.600 0.157 0.000 1.035 66 S CA 1.745 59.998 58.200 0.088 0.000 1.014 66 S CB -0.451 62.792 63.200 0.071 0.000 0.836 66 S HN 0.233 nan 8.310 nan 0.000 0.466 67 V N -3.025 116.992 119.914 0.171 0.000 3.382 67 V HA 0.485 4.605 4.120 -0.000 0.000 0.296 67 V C 1.789 178.022 176.094 0.231 0.000 1.529 67 V CA -0.079 62.416 62.300 0.325 0.000 1.048 67 V CB -0.540 31.443 31.823 0.267 0.000 0.878 67 V HN 0.295 nan 8.190 nan 0.000 0.442 68 R N 2.589 123.144 120.500 0.092 0.000 2.139 68 R HA -0.184 4.156 4.340 -0.000 0.000 0.243 68 R C 2.275 178.554 176.300 -0.034 0.000 1.145 68 R CA 2.291 58.410 56.100 0.031 0.000 0.976 68 R CB -0.098 30.206 30.300 0.006 0.000 0.866 68 R HN 0.814 nan 8.270 nan 0.000 0.449 69 K N -1.033 119.279 120.400 -0.146 0.000 2.362 69 K HA -0.151 4.169 4.320 -0.000 0.000 0.200 69 K C 0.463 176.845 176.600 -0.364 0.000 1.046 69 K CA 1.257 57.367 56.287 -0.296 0.000 0.952 69 K CB -0.018 32.228 32.500 -0.423 0.000 0.753 69 K HN 0.284 nan 8.250 nan 0.000 0.466 70 Y N 1.503 121.806 120.300 0.005 0.000 2.470 70 Y HA 0.227 4.777 4.550 -0.000 0.000 0.284 70 Y C 1.770 177.618 175.900 -0.087 0.000 1.188 70 Y CA -0.307 57.771 58.100 -0.037 0.000 1.269 70 Y CB 0.489 38.986 38.460 0.063 0.000 1.094 70 Y HN 0.058 nan 8.280 nan 0.000 0.518 71 S N -0.043 115.675 115.700 0.031 0.000 2.419 71 S HA -0.155 4.314 4.470 -0.000 0.000 0.233 71 S C 2.029 176.610 174.600 -0.031 0.000 1.016 71 S CA 1.023 59.230 58.200 0.011 0.000 0.974 71 S CB -0.119 63.081 63.200 -0.001 0.000 0.786 71 S HN 0.522 nan 8.310 nan 0.000 0.492 72 R N 0.730 121.195 120.500 -0.057 0.000 2.189 72 R HA 0.070 4.410 4.340 -0.000 0.000 0.218 72 R C 1.900 178.131 176.300 -0.115 0.000 1.074 72 R CA 0.705 56.761 56.100 -0.073 0.000 0.991 72 R CB -0.031 30.230 30.300 -0.065 0.000 0.883 72 R HN 0.371 nan 8.270 nan 0.000 0.457 73 Q N 0.095 119.772 119.800 -0.204 0.000 2.398 73 Q HA 0.125 4.465 4.340 -0.000 0.000 0.204 73 Q C 0.490 176.343 176.000 -0.244 0.000 0.932 73 Q CA 0.485 56.044 55.803 -0.407 0.000 0.916 73 Q CB 0.550 28.610 28.738 -1.130 0.000 1.024 73 Q HN 0.341 nan 8.270 nan 0.000 0.504 74 I N 3.676 124.200 120.570 -0.077 0.000 2.337 74 I HA 0.135 4.305 4.170 -0.000 0.000 0.291 74 I C -2.121 174.026 176.117 0.049 0.000 1.046 74 I CA -2.013 59.324 61.300 0.062 0.000 1.324 74 I CB 0.795 38.856 38.000 0.103 0.000 1.409 74 I HN -0.229 nan 8.210 nan 0.000 0.494 75 P HA -0.066 nan 4.420 nan 0.000 0.264 75 P C -0.435 176.862 177.300 -0.004 0.000 1.193 75 P CA -0.009 63.148 63.100 0.095 0.000 0.763 75 P CB 0.382 32.234 31.700 0.253 0.000 0.810 76 D N 3.069 123.354 120.400 -0.191 0.000 2.688 76 D HA 0.072 4.712 4.640 -0.000 0.000 0.228 76 D C -0.764 175.204 176.300 -0.552 0.000 1.116 76 D CA 0.015 53.844 54.000 -0.286 0.000 1.023 76 D CB -0.933 39.699 40.800 -0.281 0.000 1.100 76 D HN 0.383 nan 8.370 nan 0.000 0.487 77 H N -0.002 118.970 119.070 -0.164 0.000 2.954 77 H HA 0.279 4.835 4.556 -0.000 0.000 0.361 77 H C -0.234 175.054 175.328 -0.068 0.000 1.122 77 H CA -0.960 54.967 56.048 -0.202 0.000 1.217 77 H CB 1.260 30.758 29.762 -0.440 0.000 1.776 77 H HN -0.099 nan 8.280 nan 0.000 0.533 78 K N 2.254 122.694 120.400 0.066 0.000 2.511 78 K HA -0.084 4.236 4.320 -0.000 0.000 0.280 78 K C 0.033 176.716 176.600 0.138 0.000 1.008 78 K CA 0.732 57.065 56.287 0.076 0.000 1.050 78 K CB 0.214 32.734 32.500 0.033 0.000 0.889 78 K HN 0.808 nan 8.250 nan 0.000 0.484 79 E N -1.062 119.257 120.200 0.199 0.000 3.496 79 E HA -0.186 4.164 4.350 -0.000 0.000 0.300 79 E C 0.437 177.342 176.600 0.508 0.000 0.877 79 E CA 0.530 57.141 56.400 0.352 0.000 1.050 79 E CB -1.499 28.476 29.700 0.459 0.000 1.532 79 E HN 0.840 nan 8.360 nan 0.000 0.447 80 G N 0.152 109.172 108.800 0.367 0.000 2.572 80 G HA2 0.475 4.435 3.960 -0.000 0.000 0.261 80 G HA3 0.475 4.435 3.960 -0.000 0.000 0.261 80 G C -0.357 174.801 174.900 0.431 0.000 1.197 80 G CA 0.218 45.542 45.100 0.373 0.000 0.870 80 G HN 0.258 nan 8.290 nan 0.000 0.548 81 Y N -1.734 118.756 120.300 0.317 0.000 2.677 81 Y HA 0.624 5.174 4.550 -0.000 0.000 0.334 81 Y C -1.862 174.209 175.900 0.285 0.000 1.196 81 Y CA -2.139 56.115 58.100 0.257 0.000 1.059 81 Y CB 1.286 39.877 38.460 0.219 0.000 1.315 81 Y HN 0.667 nan 8.280 nan 0.000 0.455 82 Y N 3.266 123.702 120.300 0.227 0.000 2.364 82 Y HA 0.757 5.307 4.550 -0.000 0.000 0.340 82 Y C -1.801 174.223 175.900 0.206 0.000 0.975 82 Y CA -1.943 56.236 58.100 0.132 0.000 1.089 82 Y CB 1.749 40.257 38.460 0.079 0.000 1.192 82 Y HN 0.979 nan 8.280 nan 0.000 0.454 83 L N 5.478 126.531 121.223 -0.283 0.000 2.386 83 L HA 0.772 5.111 4.340 -0.000 0.000 0.271 83 L C -1.332 175.158 176.870 -0.634 0.000 0.993 83 L CA -0.332 54.284 54.840 -0.373 0.000 0.819 83 L CB 1.867 43.930 42.059 0.007 0.000 1.294 83 L HN 0.681 nan 8.230 nan 0.000 0.414 84 S N 3.386 118.733 115.700 -0.588 0.000 2.571 84 S HA 0.758 5.228 4.470 -0.000 0.000 0.284 84 S C -1.473 173.023 174.600 -0.174 0.000 1.128 84 S CA -0.458 57.516 58.200 -0.377 0.000 0.970 84 S CB 1.745 64.706 63.200 -0.398 0.000 1.039 84 S HN 0.432 nan 8.310 nan 0.000 0.485 85 V N 5.738 125.613 119.914 -0.064 0.000 2.444 85 V HA 0.604 4.724 4.120 -0.000 0.000 0.294 85 V C -0.467 175.632 176.094 0.008 0.000 1.022 85 V CA -0.761 61.537 62.300 -0.002 0.000 0.850 85 V CB 1.384 33.237 31.823 0.050 0.000 0.992 85 V HN 0.979 nan 8.190 nan 0.000 0.426 86 N N 2.464 121.174 118.700 0.017 0.000 3.157 86 N HA 0.396 5.136 4.740 -0.000 0.000 0.291 86 N C 0.527 176.056 175.510 0.032 0.000 1.515 86 N CA -0.919 52.148 53.050 0.029 0.000 0.807 86 N CB 0.806 39.317 38.487 0.039 0.000 1.672 86 N HN 0.281 nan 8.380 nan 0.000 0.592 87 E N -0.060 120.159 120.200 0.033 0.000 2.110 87 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 87 E C 1.045 177.667 176.600 0.038 0.000 0.988 87 E CA 1.187 57.607 56.400 0.032 0.000 0.804 87 E CB -0.020 29.697 29.700 0.029 0.000 0.745 87 E HN 0.690 nan 8.360 nan 0.000 0.458 88 K N 1.301 121.727 120.400 0.042 0.000 2.007 88 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 88 K C 0.810 177.441 176.600 0.051 0.000 1.047 88 K CA 1.273 57.589 56.287 0.049 0.000 0.937 88 K CB 0.329 32.864 32.500 0.057 0.000 0.718 88 K HN 0.178 nan 8.250 nan 0.000 0.438 89 E N -0.842 119.386 120.200 0.047 0.000 2.437 89 E HA 0.336 4.686 4.350 -0.000 0.000 0.280 89 E C -1.245 175.353 176.600 -0.003 0.000 1.044 89 E CA -0.880 55.541 56.400 0.036 0.000 0.826 89 E CB 1.077 30.812 29.700 0.060 0.000 1.358 89 E HN 0.036 nan 8.360 nan 0.000 0.459 90 I N 1.267 121.814 120.570 -0.039 0.000 2.404 90 I HA 0.427 4.597 4.170 -0.000 0.000 0.293 90 I C -0.975 175.023 176.117 -0.199 0.000 0.992 90 I CA -1.149 60.082 61.300 -0.114 0.000 1.149 90 I CB 1.984 39.909 38.000 -0.126 0.000 1.315 90 I HN 0.311 nan 8.210 nan 0.000 0.446 91 V N 7.430 127.166 119.914 -0.297 0.000 2.540 91 V HA 0.464 4.584 4.120 -0.000 0.000 0.302 91 V C -0.312 175.561 176.094 -0.368 0.000 1.035 91 V CA -0.522 61.544 62.300 -0.388 0.000 0.873 91 V CB 1.969 33.414 31.823 -0.630 0.000 0.992 91 V HN 0.476 nan 8.190 nan 0.000 0.428 92 L N 4.573 125.633 121.223 -0.272 0.000 2.462 92 L HA 0.749 5.089 4.340 -0.000 0.000 0.255 92 L C -0.004 176.823 176.870 -0.072 0.000 1.076 92 L CA -0.254 54.458 54.840 -0.213 0.000 0.920 92 L CB 1.365 43.240 42.059 -0.307 0.000 1.214 92 L HN 0.730 nan 8.230 nan 0.000 0.472 93 A N 1.499 124.344 122.820 0.042 0.000 2.310 93 A HA 0.789 5.109 4.320 -0.000 0.000 0.304 93 A C 0.273 177.990 177.584 0.221 0.000 1.231 93 A CA -0.367 51.754 52.037 0.140 0.000 0.799 93 A CB 1.057 20.183 19.000 0.210 0.000 1.162 93 A HN 0.561 nan 8.150 nan 0.000 0.486 94 G N 0.877 109.783 108.800 0.176 0.000 2.420 94 G HA2 0.336 4.296 3.960 -0.000 0.000 0.284 94 G HA3 0.336 4.296 3.960 -0.000 0.000 0.284 94 G C 0.623 175.631 174.900 0.180 0.000 1.177 94 G CA -0.285 44.945 45.100 0.216 0.000 0.841 94 G HN 0.770 nan 8.290 nan 0.000 0.527 95 N N -0.042 118.774 118.700 0.194 0.000 2.223 95 N HA -0.062 4.678 4.740 -0.000 0.000 0.185 95 N C 0.288 175.856 175.510 0.096 0.000 1.016 95 N CA 1.775 54.903 53.050 0.129 0.000 0.863 95 N CB 0.167 38.728 38.487 0.123 0.000 0.983 95 N HN 0.739 nan 8.380 nan 0.000 0.429 96 D N -2.930 117.532 120.400 0.104 0.000 2.677 96 D HA 0.143 4.783 4.640 -0.000 0.000 0.298 96 D C 0.100 176.434 176.300 0.057 0.000 1.250 96 D CA -0.634 53.407 54.000 0.068 0.000 0.888 96 D CB 0.147 40.984 40.800 0.062 0.000 1.397 96 D HN -0.100 nan 8.370 nan 0.000 0.461 97 E N -0.750 119.466 120.200 0.027 0.000 2.110 97 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 97 E C 1.761 178.355 176.600 -0.010 0.000 0.988 97 E CA 0.849 57.253 56.400 0.007 0.000 0.804 97 E CB 0.104 29.794 29.700 -0.017 0.000 0.745 97 E HN 0.343 nan 8.360 nan 0.000 0.458 98 R N 0.144 120.617 120.500 -0.046 0.000 2.092 98 R HA -0.089 4.251 4.340 -0.000 0.000 0.231 98 R C 2.332 178.483 176.300 -0.248 0.000 1.119 98 R CA 1.306 57.287 56.100 -0.198 0.000 0.970 98 R CB -0.293 29.885 30.300 -0.203 0.000 0.864 98 R HN 0.186 nan 8.270 nan 0.000 0.440 99 G N -0.657 108.157 108.800 0.023 0.000 2.432 99 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 99 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 99 G C 1.243 176.238 174.900 0.158 0.000 1.135 99 G CA 1.246 46.492 45.100 0.243 0.000 0.767 99 G HN 0.346 nan 8.290 nan 0.000 0.550 100 T N -0.157 114.446 114.554 0.081 0.000 2.746 100 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 100 T C 1.975 176.664 174.700 -0.020 0.000 1.039 100 T CA 1.237 63.354 62.100 0.029 0.000 1.142 100 T CB -0.362 68.526 68.868 0.034 0.000 0.866 100 T HN 0.358 nan 8.240 nan 0.000 0.444 101 Y N 0.905 121.129 120.300 -0.127 0.000 2.165 101 Y HA -0.237 4.313 4.550 -0.000 0.000 0.286 101 Y C 2.081 177.942 175.900 -0.065 0.000 1.155 101 Y CA 1.222 59.254 58.100 -0.113 0.000 1.164 101 Y CB -0.415 37.960 38.460 -0.141 0.000 0.978 101 Y HN 0.177 nan 8.280 nan 0.000 0.513 102 Y N -0.459 119.788 120.300 -0.089 0.000 2.293 102 Y HA -0.076 4.474 4.550 -0.000 0.000 0.291 102 Y C 2.617 178.055 175.900 -0.770 0.000 1.137 102 Y CA 0.390 58.300 58.100 -0.318 0.000 1.202 102 Y CB -1.486 36.960 38.460 -0.024 0.000 0.990 102 Y HN 0.248 nan 8.280 nan 0.000 0.537 103 A N 0.149 122.476 122.820 -0.822 0.000 1.883 103 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 103 A C 2.323 179.647 177.584 -0.433 0.000 1.186 103 A CA 1.628 53.070 52.037 -0.992 0.000 0.624 103 A CB -1.163 17.540 19.000 -0.495 0.000 0.822 103 A HN 0.407 nan 8.150 nan 0.000 0.444 104 L N -0.508 120.524 121.223 -0.318 0.000 2.079 104 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 104 L C 2.769 179.521 176.870 -0.196 0.000 1.081 104 L CA 1.375 56.092 54.840 -0.204 0.000 0.752 104 L CB -0.338 41.591 42.059 -0.217 0.000 0.896 104 L HN 0.358 nan 8.230 nan 0.000 0.433 105 Q N -0.997 118.610 119.800 -0.322 0.000 2.167 105 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 105 Q C 2.272 178.140 176.000 -0.220 0.000 0.970 105 Q CA 1.722 57.352 55.803 -0.288 0.000 0.855 105 Q CB -0.518 28.027 28.738 -0.322 0.000 0.911 105 Q HN 0.471 nan 8.270 nan 0.000 0.438 106 T N 0.883 115.308 114.554 -0.216 0.000 2.812 106 T HA -0.071 4.279 4.350 -0.000 0.000 0.264 106 T C 1.441 176.110 174.700 -0.053 0.000 1.042 106 T CA 0.671 62.692 62.100 -0.131 0.000 1.140 106 T CB -0.333 68.499 68.868 -0.060 0.000 0.870 106 T HN 0.208 nan 8.240 nan 0.000 0.445 107 F N 2.412 122.251 119.950 -0.184 0.000 2.126 107 F HA -0.045 4.482 4.527 -0.000 0.000 0.299 107 F C 2.402 178.122 175.800 -0.133 0.000 1.096 107 F CA 0.927 58.837 58.000 -0.149 0.000 1.255 107 F CB -0.646 38.255 39.000 -0.165 0.000 0.997 107 F HN 0.141 nan 8.300 nan 0.000 0.479 108 A N -0.186 122.553 122.820 -0.134 0.000 1.940 108 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 108 A C 2.102 179.563 177.584 -0.204 0.000 1.176 108 A CA 1.905 53.827 52.037 -0.192 0.000 0.631 108 A CB -0.800 18.128 19.000 -0.121 0.000 0.814 108 A HN 0.619 nan 8.150 nan 0.000 0.446 109 Q N -0.634 119.065 119.800 -0.170 0.000 2.297 109 Q HA 0.077 4.417 4.340 -0.000 0.000 0.204 109 Q C 1.853 177.760 176.000 -0.155 0.000 0.962 109 Q CA 0.813 56.531 55.803 -0.141 0.000 0.879 109 Q CB -0.195 28.474 28.738 -0.115 0.000 0.947 109 Q HN 0.678 nan 8.270 nan 0.000 0.462 110 L N 0.154 121.252 121.223 -0.209 0.000 2.179 110 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 110 L C 0.749 177.470 176.870 -0.248 0.000 1.096 110 L CA -0.095 54.621 54.840 -0.208 0.000 0.779 110 L CB -0.074 41.855 42.059 -0.216 0.000 0.922 110 L HN 0.228 nan 8.230 nan 0.000 0.443 111 L N 1.838 122.852 121.223 -0.348 0.000 2.369 111 L HA 0.186 4.526 4.340 -0.000 0.000 0.279 111 L C -0.363 176.393 176.870 -0.190 0.000 1.108 111 L CA 0.668 55.316 54.840 -0.320 0.000 0.852 111 L CB -0.213 41.594 42.059 -0.420 0.000 1.169 111 L HN -0.050 nan 8.230 nan 0.000 0.452 112 K N 4.315 124.630 120.400 -0.141 0.000 2.507 112 K HA 0.270 4.590 4.320 -0.000 0.000 0.251 112 K C -0.826 175.729 176.600 -0.075 0.000 0.943 112 K CA -0.641 55.588 56.287 -0.096 0.000 0.794 112 K CB 1.733 34.185 32.500 -0.079 0.000 1.188 112 K HN 0.524 nan 8.250 nan 0.000 0.428 113 D N 1.615 121.978 120.400 -0.062 0.000 2.689 113 D HA -0.183 4.457 4.640 -0.000 0.000 0.237 113 D C 0.848 177.121 176.300 -0.046 0.000 1.148 113 D CA 1.929 55.901 54.000 -0.047 0.000 0.656 113 D CB -1.125 39.652 40.800 -0.037 0.000 1.050 113 D HN 1.049 nan 8.370 nan 0.000 0.426 114 G N -0.914 107.852 108.800 -0.056 0.000 2.175 114 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.265 114 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.265 114 G C 0.325 175.194 174.900 -0.053 0.000 0.979 114 G CA 1.048 46.118 45.100 -0.050 0.000 0.663 114 G HN 0.555 nan 8.290 nan 0.000 0.533 115 K N -0.915 119.445 120.400 -0.066 0.000 2.340 115 K HA 0.838 5.158 4.320 -0.000 0.000 0.244 115 K C -0.304 176.240 176.600 -0.093 0.000 0.973 115 K CA -0.885 55.365 56.287 -0.061 0.000 0.828 115 K CB 1.969 34.444 32.500 -0.043 0.000 1.226 115 K HN 0.107 nan 8.250 nan 0.000 0.437 116 L N 2.504 123.681 121.223 -0.076 0.000 2.381 116 L HA 0.531 4.871 4.340 -0.000 0.000 0.268 116 L C -2.373 174.468 176.870 -0.049 0.000 0.997 116 L CA -2.212 52.573 54.840 -0.092 0.000 0.818 116 L CB 2.140 44.151 42.059 -0.080 0.000 1.310 116 L HN 0.464 nan 8.230 nan 0.000 0.416 117 P HA 0.066 nan 4.420 nan 0.000 0.274 117 P C -1.051 176.245 177.300 -0.007 0.000 1.231 117 P CA -0.404 62.681 63.100 -0.024 0.000 0.790 117 P CB 0.917 32.602 31.700 -0.026 0.000 0.951 118 E N 1.394 121.595 120.200 0.001 0.000 2.129 118 E HA 0.350 4.700 4.350 -0.000 0.000 0.283 118 E C -0.452 176.155 176.600 0.011 0.000 1.080 118 E CA -0.535 55.872 56.400 0.011 0.000 0.867 118 E CB 0.033 29.741 29.700 0.014 0.000 1.056 118 E HN 0.308 nan 8.360 nan 0.000 0.404 119 V N 0.917 120.837 119.914 0.011 0.000 3.147 119 V HA 0.592 4.712 4.120 -0.000 0.000 0.306 119 V C -0.950 175.147 176.094 0.005 0.000 1.209 119 V CA -1.024 61.283 62.300 0.012 0.000 1.023 119 V CB 1.974 33.803 31.823 0.009 0.000 1.059 119 V HN 0.682 nan 8.190 nan 0.000 0.435 120 E N 1.879 122.093 120.200 0.024 0.000 2.224 120 E HA 0.702 5.052 4.350 -0.000 0.000 0.265 120 E C -1.787 174.845 176.600 0.054 0.000 0.878 120 E CA -0.769 55.653 56.400 0.036 0.000 0.759 120 E CB 2.173 31.945 29.700 0.120 0.000 1.164 120 E HN 0.807 nan 8.360 nan 0.000 0.414 121 I N 3.861 124.450 120.570 0.031 0.000 2.498 121 I HA 0.359 4.529 4.170 -0.000 0.000 0.290 121 I C -0.732 175.436 176.117 0.085 0.000 1.032 121 I CA -0.748 60.584 61.300 0.054 0.000 1.073 121 I CB 1.942 39.986 38.000 0.074 0.000 1.251 121 I HN 0.273 nan 8.210 nan 0.000 0.426 122 K N 4.429 124.863 120.400 0.056 0.000 2.463 122 K HA 0.573 4.893 4.320 -0.000 0.000 0.255 122 K C -1.538 175.007 176.600 -0.091 0.000 0.942 122 K CA -0.761 55.551 56.287 0.041 0.000 0.814 122 K CB 2.209 34.792 32.500 0.139 0.000 1.122 122 K HN 0.366 nan 8.250 nan 0.000 0.425 123 D N 1.849 122.096 120.400 -0.256 0.000 2.661 123 D HA 0.487 5.127 4.640 -0.000 0.000 0.228 123 D C -1.768 174.445 176.300 -0.144 0.000 1.210 123 D CA -0.276 53.526 54.000 -0.329 0.000 0.826 123 D CB 1.315 41.861 40.800 -0.423 0.000 1.542 123 D HN 0.418 nan 8.370 nan 0.000 0.447 124 Y N -1.420 118.781 120.300 -0.165 0.000 2.687 124 Y HA 0.548 5.098 4.550 -0.000 0.000 0.338 124 Y C -3.100 172.029 175.900 -1.285 0.000 1.189 124 Y CA -1.869 55.958 58.100 -0.455 0.000 1.097 124 Y CB 0.697 38.936 38.460 -0.369 0.000 1.342 124 Y HN 0.054 nan 8.280 nan 0.000 0.461 125 P HA 0.257 nan 4.420 nan 0.000 0.282 125 P C -0.169 176.707 177.300 -0.708 0.000 1.249 125 P CA -0.212 61.904 63.100 -1.641 0.000 0.806 125 P CB 2.115 33.181 31.700 -1.058 0.000 0.984 126 S N 0.489 115.829 115.700 -0.600 0.000 2.446 126 S HA 0.072 4.541 4.470 -0.000 0.000 0.225 126 S C 0.893 175.335 174.600 -0.264 0.000 1.016 126 S CA 0.332 58.326 58.200 -0.343 0.000 0.943 126 S CB 0.042 63.045 63.200 -0.328 0.000 0.786 126 S HN 0.322 nan 8.310 nan 0.000 0.508 127 V N 1.574 121.323 119.914 -0.274 0.000 2.555 127 V HA 0.390 4.510 4.120 -0.000 0.000 0.302 127 V C 1.008 176.985 176.094 -0.196 0.000 1.038 127 V CA -0.813 61.367 62.300 -0.199 0.000 0.887 127 V CB 1.940 33.657 31.823 -0.177 0.000 0.991 127 V HN 0.129 nan 8.190 nan 0.000 0.434 128 R N 2.504 122.868 120.500 -0.226 0.000 2.073 128 R HA 0.008 4.348 4.340 -0.000 0.000 0.229 128 R C -0.370 175.647 176.300 -0.471 0.000 1.120 128 R CA 1.209 57.080 56.100 -0.381 0.000 0.967 128 R CB 0.116 30.092 30.300 -0.540 0.000 0.862 128 R HN 0.633 nan 8.270 nan 0.000 0.436 129 Y N 0.593 120.878 120.300 -0.025 0.000 2.328 129 Y HA 0.435 4.985 4.550 -0.000 0.000 0.337 129 Y C -0.533 175.346 175.900 -0.035 0.000 0.966 129 Y CA -0.795 57.299 58.100 -0.011 0.000 1.136 129 Y CB 1.519 39.955 38.460 -0.039 0.000 1.170 129 Y HN -0.101 nan 8.280 nan 0.000 0.470 130 R N 1.818 122.436 120.500 0.197 0.000 2.575 130 R HA 0.833 5.173 4.340 -0.000 0.000 0.293 130 R C -0.071 176.303 176.300 0.124 0.000 0.983 130 R CA -0.787 55.401 56.100 0.146 0.000 0.887 130 R CB 2.312 32.686 30.300 0.123 0.000 1.184 130 R HN 0.885 nan 8.270 nan 0.000 0.445 131 G N 0.622 109.475 108.800 0.089 0.000 2.566 131 G HA2 0.247 4.207 3.960 -0.000 0.000 0.138 131 G HA3 0.247 4.207 3.960 -0.000 0.000 0.138 131 G C -1.784 173.084 174.900 -0.054 0.000 1.133 131 G CA -0.482 44.592 45.100 -0.043 0.000 1.037 131 G HN 0.346 nan 8.290 nan 0.000 0.491 132 V N 0.228 120.061 119.914 -0.136 0.000 2.577 132 V HA 0.658 4.778 4.120 -0.000 0.000 0.303 132 V C -0.613 175.372 176.094 -0.181 0.000 1.042 132 V CA -0.709 61.533 62.300 -0.097 0.000 0.872 132 V CB 1.523 33.331 31.823 -0.026 0.000 0.998 132 V HN 1.067 nan 8.190 nan 0.000 0.423 133 V N 4.739 124.439 119.914 -0.355 0.000 2.328 133 V HA 0.433 4.553 4.120 -0.000 0.000 0.278 133 V C 0.398 176.127 176.094 -0.609 0.000 1.021 133 V CA -0.241 61.702 62.300 -0.596 0.000 0.838 133 V CB 1.405 32.628 31.823 -1.000 0.000 0.999 133 V HN 1.024 nan 8.190 nan 0.000 0.447 134 E N 5.014 124.812 120.200 -0.670 0.000 1.791 134 E HA 0.324 4.674 4.350 -0.000 0.000 0.263 134 E C 0.793 176.778 176.600 -1.025 0.000 1.213 134 E CA 0.439 56.301 56.400 -0.896 0.000 0.991 134 E CB 0.107 29.241 29.700 -0.944 0.000 1.068 134 E HN 0.915 nan 8.360 nan 0.000 0.417 135 G N 4.196 112.473 108.800 -0.872 0.000 3.979 135 G HA2 0.101 4.061 3.960 -0.000 0.000 0.287 135 G HA3 0.101 4.061 3.960 -0.000 0.000 0.287 135 G C -0.215 174.397 174.900 -0.480 0.000 1.011 135 G CA -0.417 44.309 45.100 -0.624 0.000 0.818 135 G HN 0.425 nan 8.290 nan 0.000 0.470 136 F N -0.535 119.183 119.950 -0.387 0.000 2.380 136 F HA 0.797 5.324 4.527 -0.000 0.000 0.319 136 F C -0.259 175.313 175.800 -0.379 0.000 1.113 136 F CA -2.717 55.096 58.000 -0.312 0.000 1.056 136 F CB 0.342 39.207 39.000 -0.225 0.000 1.289 136 F HN -0.043 nan 8.300 nan 0.000 0.515 137 Y N 0.665 121.057 120.300 0.153 0.000 2.309 137 Y HA 0.555 5.105 4.550 -0.000 0.000 0.327 137 Y C 0.889 176.918 175.900 0.214 0.000 1.172 137 Y CA 0.374 58.524 58.100 0.084 0.000 1.280 137 Y CB 0.884 39.325 38.460 -0.032 0.000 1.234 137 Y HN 1.088 nan 8.280 nan 0.000 0.512 138 G N 0.329 109.319 108.800 0.316 0.000 2.353 138 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.615 138 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.615 138 G C -1.101 173.954 174.900 0.258 0.000 1.280 138 G CA -1.171 44.088 45.100 0.265 0.000 1.000 138 G HN 0.507 nan 8.290 nan 0.000 0.516 139 T N 3.522 118.208 114.554 0.220 0.000 2.784 139 T HA 0.454 4.804 4.350 -0.000 0.000 0.291 139 T C -1.938 172.942 174.700 0.299 0.000 0.942 139 T CA 0.175 62.404 62.100 0.215 0.000 1.161 139 T CB 0.786 69.761 68.868 0.179 0.000 0.885 139 T HN 0.459 nan 8.240 nan 0.000 0.534 140 P HA 0.077 nan 4.420 nan 0.000 0.269 140 P C -0.028 177.485 177.300 0.355 0.000 1.215 140 P CA -0.696 62.501 63.100 0.161 0.000 0.780 140 P CB 0.409 32.130 31.700 0.035 0.000 0.898 141 W N 1.349 122.774 121.300 0.208 0.000 2.274 141 W HA 0.044 4.704 4.660 -0.000 0.000 0.345 141 W C 1.086 177.696 176.519 0.151 0.000 1.265 141 W CA -0.166 57.282 57.345 0.172 0.000 1.293 141 W CB -0.911 28.650 29.460 0.167 0.000 1.175 141 W HN 0.348 nan 8.180 nan 0.000 0.577 142 S N 0.968 116.859 115.700 0.318 0.000 2.600 142 S HA -0.008 4.462 4.470 -0.000 0.000 0.265 142 S C 0.999 175.730 174.600 0.218 0.000 1.325 142 S CA 0.110 58.450 58.200 0.233 0.000 1.002 142 S CB 0.966 64.253 63.200 0.146 0.000 0.921 142 S HN 0.566 nan 8.310 nan 0.000 0.554 143 H N 0.964 120.112 119.070 0.129 0.000 2.321 143 H HA -0.060 4.496 4.556 -0.000 0.000 0.300 143 H C 2.087 177.444 175.328 0.047 0.000 1.087 143 H CA 2.381 58.492 56.048 0.105 0.000 1.319 143 H CB -0.184 29.624 29.762 0.076 0.000 1.379 143 H HN 0.577 nan 8.280 nan 0.000 0.501 144 Q N 0.162 119.979 119.800 0.029 0.000 2.096 144 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 144 Q C 2.543 178.460 176.000 -0.139 0.000 0.982 144 Q CA 1.393 57.157 55.803 -0.064 0.000 0.850 144 Q CB -0.784 27.948 28.738 -0.010 0.000 0.901 144 Q HN 0.638 nan 8.270 nan 0.000 0.422 145 A N 0.984 123.730 122.820 -0.124 0.000 1.902 145 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 145 A C 2.163 179.573 177.584 -0.290 0.000 1.181 145 A CA 1.343 53.233 52.037 -0.245 0.000 0.623 145 A CB -0.401 18.423 19.000 -0.293 0.000 0.818 145 A HN 0.279 nan 8.150 nan 0.000 0.443 146 R N -0.578 119.832 120.500 -0.150 0.000 2.096 146 R HA -0.024 4.316 4.340 -0.000 0.000 0.235 146 R C 2.031 178.168 176.300 -0.273 0.000 1.127 146 R CA 1.341 57.361 56.100 -0.133 0.000 0.968 146 R CB -0.523 29.805 30.300 0.046 0.000 0.861 146 R HN 0.501 nan 8.270 nan 0.000 0.440 147 L N -0.058 120.987 121.223 -0.296 0.000 2.046 147 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 147 L C 2.676 179.403 176.870 -0.239 0.000 1.077 147 L CA 1.296 55.977 54.840 -0.265 0.000 0.747 147 L CB -0.493 41.416 42.059 -0.250 0.000 0.896 147 L HN 0.206 nan 8.230 nan 0.000 0.432 148 S N -0.990 114.562 115.700 -0.246 0.000 2.368 148 S HA -0.194 4.276 4.470 -0.000 0.000 0.225 148 S C 2.033 176.446 174.600 -0.311 0.000 1.030 148 S CA 1.065 59.121 58.200 -0.240 0.000 0.999 148 S CB -0.060 62.992 63.200 -0.246 0.000 0.844 148 S HN 0.374 nan 8.310 nan 0.000 0.459 149 Q N 0.688 120.220 119.800 -0.446 0.000 2.061 149 Q HA -0.093 4.247 4.340 -0.000 0.000 0.204 149 Q C 2.333 177.718 176.000 -1.025 0.000 0.984 149 Q CA 1.374 56.769 55.803 -0.680 0.000 0.846 149 Q CB -0.638 27.715 28.738 -0.642 0.000 0.902 149 Q HN 0.553 nan 8.270 nan 0.000 0.421 150 L N 0.706 121.512 121.223 -0.695 0.000 2.046 150 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 150 L C 2.496 179.230 176.870 -0.227 0.000 1.077 150 L CA 1.085 55.637 54.840 -0.481 0.000 0.747 150 L CB -0.392 41.529 42.059 -0.229 0.000 0.896 150 L HN 0.136 nan 8.230 nan 0.000 0.432 151 K N -0.447 119.857 120.400 -0.161 0.000 2.057 151 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 151 K C 2.111 178.741 176.600 0.049 0.000 1.049 151 K CA 1.410 57.678 56.287 -0.031 0.000 0.931 151 K CB -0.569 31.913 32.500 -0.031 0.000 0.714 151 K HN 0.137 nan 8.250 nan 0.000 0.440 152 F N 1.396 121.251 119.950 -0.158 0.000 2.161 152 F HA -0.259 4.268 4.527 0.000 0.000 0.300 152 F C 2.043 177.912 175.800 0.116 0.000 1.089 152 F CA 1.406 59.378 58.000 -0.046 0.000 1.282 152 F CB -0.264 38.685 39.000 -0.084 0.000 1.010 152 F HN -0.007 nan 8.300 nan 0.000 0.485 153 Y N 0.041 120.423 120.300 0.138 0.000 2.181 153 Y HA -0.030 4.520 4.550 -0.000 0.000 0.288 153 Y C 2.769 178.703 175.900 0.057 0.000 1.146 153 Y CA 0.556 58.703 58.100 0.078 0.000 1.164 153 Y CB -1.725 36.822 38.460 0.144 0.000 0.982 153 Y HN 0.071 nan 8.280 nan 0.000 0.515 154 G N 0.166 109.124 108.800 0.263 0.000 2.446 154 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 154 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 154 G C 1.766 176.794 174.900 0.213 0.000 1.168 154 G CA 1.049 46.355 45.100 0.343 0.000 0.771 154 G HN 0.341 nan 8.290 nan 0.000 0.551 155 K N 0.204 120.617 120.400 0.023 0.000 2.147 155 K HA -0.020 4.300 4.320 -0.000 0.000 0.205 155 K C 1.366 177.812 176.600 -0.258 0.000 1.049 155 K CA 0.960 57.167 56.287 -0.133 0.000 0.936 155 K CB -0.016 32.390 32.500 -0.156 0.000 0.722 155 K HN 0.209 nan 8.250 nan 0.000 0.446 156 N N 0.950 119.475 118.700 -0.292 0.000 2.251 156 N HA 0.060 4.800 4.740 -0.000 0.000 0.217 156 N C -0.840 174.441 175.510 -0.382 0.000 1.124 156 N CA 0.156 52.960 53.050 -0.410 0.000 0.843 156 N CB 0.572 38.755 38.487 -0.508 0.000 1.024 156 N HN 0.108 nan 8.380 nan 0.000 0.501 160 T N 0.867 115.557 114.554 0.225 0.000 2.921 160 T HA 0.424 4.774 4.350 -0.000 0.000 0.297 160 T C -2.263 172.522 174.700 0.140 0.000 1.013 160 T CA -0.378 61.834 62.100 0.188 0.000 0.990 160 T CB 1.741 70.730 68.868 0.201 0.000 1.023 160 T HN 0.194 nan 8.240 nan 0.000 0.447 161 Y N 3.995 124.294 120.300 -0.001 0.000 2.322 161 Y HA 0.625 5.175 4.550 -0.000 0.000 0.324 161 Y C -1.503 174.270 175.900 -0.212 0.000 1.027 161 Y CA -1.399 56.666 58.100 -0.058 0.000 1.179 161 Y CB 0.558 39.092 38.460 0.122 0.000 1.136 161 Y HN 0.602 nan 8.280 nan 0.000 0.449 162 I N 7.275 127.445 120.570 -0.666 0.000 2.315 162 I HA 0.180 4.350 4.170 -0.000 0.000 0.291 162 I C -1.012 174.455 176.117 -1.083 0.000 1.006 162 I CA -0.921 59.941 61.300 -0.730 0.000 1.265 162 I CB 0.927 38.684 38.000 -0.405 0.000 1.387 162 I HN 0.636 nan 8.210 nan 0.000 0.475 163 Y N 5.722 125.300 120.300 -1.204 0.000 2.425 163 Y HA 0.572 5.122 4.550 -0.000 0.000 0.347 163 Y C 0.567 175.920 175.900 -0.912 0.000 0.976 163 Y CA -0.341 57.139 58.100 -1.033 0.000 1.190 163 Y CB 1.113 39.118 38.460 -0.759 0.000 1.136 163 Y HN 0.608 nan 8.280 nan 0.000 0.517 164 G N 7.287 115.366 108.800 -1.202 0.000 5.072 164 G HA2 0.147 4.107 3.960 -0.000 0.000 0.208 164 G HA3 0.147 4.107 3.960 -0.000 0.000 0.208 164 G C -3.360 170.759 174.900 -1.302 0.000 0.804 164 G CA -0.891 43.329 45.100 -1.466 0.000 0.619 164 G HN 0.409 nan 8.290 nan 0.000 0.427 165 P HA 0.153 nan 4.420 nan 0.000 0.271 165 P C 0.881 177.839 177.300 -0.569 0.000 1.226 165 P CA -0.162 62.369 63.100 -0.949 0.000 0.765 165 P CB 1.706 32.930 31.700 -0.794 0.000 0.835 166 K N 2.042 122.116 120.400 -0.543 0.000 2.160 166 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 166 K C 0.580 177.118 176.600 -0.102 0.000 1.047 166 K CA 1.544 57.606 56.287 -0.374 0.000 0.930 166 K CB -0.336 31.716 32.500 -0.747 0.000 0.720 166 K HN 0.489 nan 8.250 nan 0.000 0.450 167 D N 0.991 121.346 120.400 -0.075 0.000 2.328 167 D HA -0.047 4.593 4.640 -0.000 0.000 0.221 167 D C -0.052 176.292 176.300 0.073 0.000 1.072 167 D CA 0.161 54.188 54.000 0.045 0.000 0.850 167 D CB -0.085 40.771 40.800 0.094 0.000 0.922 167 D HN 0.107 nan 8.370 nan 0.000 0.516 168 D N 1.445 121.892 120.400 0.078 0.000 2.336 168 D HA 0.038 4.678 4.640 -0.000 0.000 0.249 168 D C -1.417 175.001 176.300 0.196 0.000 1.213 168 D CA -1.955 52.167 54.000 0.202 0.000 0.870 168 D CB 1.698 42.678 40.800 0.301 0.000 1.076 168 D HN -0.045 nan 8.370 nan 0.000 0.483 169 P HA -0.123 nan 4.420 nan 0.000 0.223 169 P C 0.629 177.797 177.300 -0.220 0.000 1.151 169 P CA 0.825 63.856 63.100 -0.115 0.000 0.787 169 P CB 0.024 31.553 31.700 -0.286 0.000 0.788 170 Y N -1.570 118.781 120.300 0.085 0.000 2.511 170 Y HA -0.006 4.544 4.550 -0.000 0.000 0.279 170 Y C 2.687 178.757 175.900 0.284 0.000 1.157 170 Y CA 0.688 58.754 58.100 -0.056 0.000 1.300 170 Y CB -0.902 37.086 38.460 -0.786 0.000 1.052 170 Y HN 0.142 nan 8.280 nan 0.000 0.529 171 H N -1.618 117.676 119.070 0.373 0.000 2.418 171 H HA 0.204 4.760 4.556 -0.000 0.000 0.300 171 H C 1.345 176.776 175.328 0.173 0.000 1.041 171 H CA 0.925 57.133 56.048 0.267 0.000 1.364 171 H CB 0.302 30.131 29.762 0.111 0.000 1.439 171 H HN 0.050 nan 8.280 nan 0.000 0.540 172 S N -1.025 114.703 115.700 0.047 0.000 2.721 172 S HA 0.749 5.219 4.470 -0.000 0.000 0.296 172 S C -0.628 174.131 174.600 0.264 0.000 1.093 172 S CA -0.421 57.824 58.200 0.075 0.000 0.959 172 S CB 0.604 63.882 63.200 0.130 0.000 1.301 172 S HN 0.576 nan 8.310 nan 0.000 0.550 173 A N 1.354 124.339 122.820 0.275 0.000 2.340 173 A HA 0.591 4.911 4.320 -0.000 0.000 0.268 173 A C -1.973 175.670 177.584 0.097 0.000 1.100 173 A CA -1.127 51.080 52.037 0.283 0.000 0.803 173 A CB -0.245 18.907 19.000 0.253 0.000 1.043 173 A HN 0.674 nan 8.150 nan 0.000 0.488 174 P HA 0.076 nan 4.420 nan 0.000 0.245 174 P C 0.288 177.421 177.300 -0.279 0.000 1.199 174 P CA 0.421 63.458 63.100 -0.105 0.000 0.807 174 P CB 0.281 31.909 31.700 -0.120 0.000 1.002 175 N N 0.129 118.711 118.700 -0.197 0.000 2.370 175 N HA -0.020 4.720 4.740 -0.000 0.000 0.198 175 N C 1.316 176.771 175.510 -0.092 0.000 1.156 175 N CA 0.026 52.929 53.050 -0.245 0.000 0.839 175 N CB -0.681 37.560 38.487 -0.410 0.000 0.989 175 N HN 0.446 nan 8.380 nan 0.000 0.468 176 W N 0.892 122.181 121.300 -0.018 0.000 2.341 176 W HA -0.137 4.523 4.660 -0.000 0.000 0.283 176 W C 0.748 177.322 176.519 0.093 0.000 1.215 176 W CA 0.203 57.591 57.345 0.071 0.000 1.211 176 W CB -0.761 28.706 29.460 0.011 0.000 1.131 176 W HN 0.054 nan 8.180 nan 0.000 0.552 177 R N 0.188 120.420 120.500 -0.447 0.000 2.280 177 R HA 0.027 4.367 4.340 -0.000 0.000 0.207 177 R C 0.202 176.438 176.300 -0.106 0.000 1.043 177 R CA 0.280 56.138 56.100 -0.402 0.000 1.006 177 R CB -0.348 29.506 30.300 -0.743 0.000 0.885 177 R HN 0.004 nan 8.270 nan 0.000 0.467 178 L N 1.333 122.547 121.223 -0.014 0.000 2.309 178 L HA 0.360 4.700 4.340 -0.000 0.000 0.282 178 L C -2.257 174.660 176.870 0.078 0.000 1.036 178 L CA -2.774 52.100 54.840 0.056 0.000 0.806 178 L CB 1.342 43.481 42.059 0.132 0.000 1.220 178 L HN -0.209 nan 8.230 nan 0.000 0.429 179 P HA 0.055 nan 4.420 nan 0.000 0.269 179 P C -1.026 176.144 177.300 -0.217 0.000 1.209 179 P CA -0.111 62.966 63.100 -0.040 0.000 0.776 179 P CB 0.117 31.807 31.700 -0.017 0.000 0.876 180 Y N 2.227 122.341 120.300 -0.310 0.000 2.805 180 Y HA 0.025 4.575 4.550 -0.000 0.000 0.337 180 Y C -1.251 174.393 175.900 -0.427 0.000 1.252 180 Y CA -0.656 57.086 58.100 -0.598 0.000 1.515 180 Y CB -1.105 37.134 38.460 -0.369 0.000 1.305 180 Y HN 0.398 nan 8.280 nan 0.000 0.600 181 P HA -0.008 nan 4.420 nan 0.000 0.273 181 P C 0.192 177.453 177.300 -0.064 0.000 1.250 181 P CA -0.144 62.881 63.100 -0.126 0.000 0.793 181 P CB 0.768 32.424 31.700 -0.073 0.000 1.011 182 D N 0.326 120.700 120.400 -0.044 0.000 2.133 182 D HA -0.216 4.424 4.640 -0.000 0.000 0.192 182 D C 1.674 177.942 176.300 -0.053 0.000 1.001 182 D CA 1.732 55.706 54.000 -0.043 0.000 0.844 182 D CB -0.269 40.512 40.800 -0.031 0.000 0.944 182 D HN 0.378 nan 8.370 nan 0.000 0.447 183 K N 0.947 121.322 120.400 -0.041 0.000 2.026 183 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 183 K C 1.905 178.459 176.600 -0.077 0.000 1.048 183 K CA 1.400 57.657 56.287 -0.051 0.000 0.929 183 K CB -0.142 32.345 32.500 -0.023 0.000 0.713 183 K HN -0.058 nan 8.250 nan 0.000 0.439 184 E N -0.002 120.171 120.200 -0.045 0.000 2.072 184 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 184 E C 1.901 178.397 176.600 -0.173 0.000 0.985 184 E CA 1.380 57.747 56.400 -0.056 0.000 0.801 184 E CB -0.339 29.415 29.700 0.089 0.000 0.750 184 E HN 0.450 nan 8.360 nan 0.000 0.452 185 A N 0.964 123.697 122.820 -0.145 0.000 1.908 185 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 185 A C 2.352 179.820 177.584 -0.194 0.000 1.181 185 A CA 1.969 53.890 52.037 -0.194 0.000 0.627 185 A CB -0.846 18.088 19.000 -0.109 0.000 0.818 185 A HN 0.298 nan 8.150 nan 0.000 0.445 186 A N -0.974 121.757 122.820 -0.149 0.000 1.930 186 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 186 A C 2.115 179.604 177.584 -0.159 0.000 1.175 186 A CA 1.502 53.456 52.037 -0.138 0.000 0.627 186 A CB -0.499 18.435 19.000 -0.110 0.000 0.815 186 A HN 0.650 nan 8.150 nan 0.000 0.443 187 Q N -0.412 119.265 119.800 -0.205 0.000 2.050 187 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 187 Q C 2.085 178.052 176.000 -0.055 0.000 0.980 187 Q CA 1.540 57.188 55.803 -0.258 0.000 0.840 187 Q CB -0.348 28.150 28.738 -0.400 0.000 0.898 187 Q HN 0.668 nan 8.270 nan 0.000 0.424 188 L N 0.486 121.597 121.223 -0.187 0.000 2.042 188 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 188 L C 2.691 179.351 176.870 -0.350 0.000 1.076 188 L CA 1.378 56.032 54.840 -0.310 0.000 0.749 188 L CB -0.429 41.310 42.059 -0.533 0.000 0.893 188 L HN 0.340 nan 8.230 nan 0.000 0.432 189 Q N 0.039 119.673 119.800 -0.277 0.000 2.096 189 Q HA -0.297 4.043 4.340 -0.000 0.000 0.204 189 Q C 2.153 178.048 176.000 -0.175 0.000 0.982 189 Q CA 2.037 57.697 55.803 -0.238 0.000 0.850 189 Q CB -0.024 28.608 28.738 -0.178 0.000 0.901 189 Q HN 0.499 nan 8.270 nan 0.000 0.422 190 E N -0.036 120.106 120.200 -0.098 0.000 2.072 190 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 190 E C 2.094 178.671 176.600 -0.039 0.000 0.985 190 E CA 0.788 57.170 56.400 -0.031 0.000 0.801 190 E CB -0.082 29.656 29.700 0.063 0.000 0.750 190 E HN 0.431 nan 8.360 nan 0.000 0.452 191 L N 0.460 121.666 121.223 -0.028 0.000 2.042 191 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 191 L C 2.558 179.361 176.870 -0.111 0.000 1.076 191 L CA 0.867 55.687 54.840 -0.035 0.000 0.749 191 L CB -0.405 41.710 42.059 0.092 0.000 0.893 191 L HN 0.127 nan 8.230 nan 0.000 0.432 192 V N -0.051 119.671 119.914 -0.321 0.000 2.358 192 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 192 V C 2.736 178.743 176.094 -0.145 0.000 1.047 192 V CA 1.748 63.852 62.300 -0.327 0.000 1.035 192 V CB -0.766 30.779 31.823 -0.463 0.000 0.658 192 V HN 0.477 nan 8.190 nan 0.000 0.452 193 A N -0.182 122.560 122.820 -0.129 0.000 1.877 193 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 193 A C 2.384 179.921 177.584 -0.079 0.000 1.186 193 A CA 2.089 54.074 52.037 -0.087 0.000 0.620 193 A CB -0.684 18.273 19.000 -0.073 0.000 0.822 193 A HN 0.333 nan 8.150 nan 0.000 0.443 194 V N -0.068 119.804 119.914 -0.071 0.000 2.343 194 V HA -0.246 3.873 4.120 -0.000 0.000 0.247 194 V C 3.064 179.116 176.094 -0.070 0.000 1.051 194 V CA 1.896 64.151 62.300 -0.075 0.000 1.036 194 V CB -1.333 30.447 31.823 -0.072 0.000 0.654 194 V HN 0.622 nan 8.190 nan 0.000 0.451 195 A N 0.608 123.422 122.820 -0.010 0.000 1.883 195 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 195 A C 2.086 179.659 177.584 -0.019 0.000 1.186 195 A CA 2.248 54.319 52.037 0.057 0.000 0.624 195 A CB -0.753 18.378 19.000 0.217 0.000 0.822 195 A HN 0.597 nan 8.150 nan 0.000 0.444 196 N N 0.064 118.733 118.700 -0.051 0.000 2.104 196 N HA -0.159 4.581 4.740 -0.000 0.000 0.190 196 N C 1.571 176.894 175.510 -0.312 0.000 1.024 196 N CA 1.711 54.709 53.050 -0.087 0.000 0.853 196 N CB -0.518 37.949 38.487 -0.034 0.000 1.008 196 N HN 0.692 nan 8.380 nan 0.000 0.424 197 E N 0.190 120.140 120.200 -0.418 0.000 2.268 197 E HA -0.000 4.350 4.350 -0.000 0.000 0.195 197 E C 0.651 176.807 176.600 -0.739 0.000 0.995 197 E CA 0.507 56.414 56.400 -0.821 0.000 0.836 197 E CB 0.019 29.501 29.700 -0.363 0.000 0.763 197 E HN 0.343 nan 8.360 nan 0.000 0.491 198 N N 0.543 118.988 118.700 -0.425 0.000 2.203 198 N HA -0.018 4.722 4.740 -0.000 0.000 0.207 198 N C -0.546 174.736 175.510 -0.379 0.000 1.130 198 N CA 0.228 53.103 53.050 -0.292 0.000 0.861 198 N CB 0.826 39.291 38.487 -0.036 0.000 1.005 198 N HN 0.008 nan 8.380 nan 0.000 0.507 199 E N -0.227 119.709 120.200 -0.439 0.000 2.637 199 E HA -0.140 4.210 4.350 -0.000 0.000 0.265 199 E C -0.718 175.891 176.600 0.016 0.000 1.073 199 E CA 0.360 56.600 56.400 -0.268 0.000 0.778 199 E CB -1.861 27.544 29.700 -0.492 0.000 1.362 199 E HN 0.062 nan 8.360 nan 0.000 0.413 200 V N 1.230 121.186 119.914 0.071 0.000 2.427 200 V HA 0.203 4.323 4.120 -0.000 0.000 0.286 200 V C 0.444 176.653 176.094 0.191 0.000 1.034 200 V CA -0.652 61.764 62.300 0.194 0.000 0.893 200 V CB 1.821 33.805 31.823 0.268 0.000 0.982 200 V HN -0.043 nan 8.190 nan 0.000 0.452 201 D N 3.808 124.335 120.400 0.212 0.000 2.336 201 D HA 0.174 4.814 4.640 -0.000 0.000 0.249 201 D C -0.339 176.100 176.300 0.233 0.000 1.213 201 D CA 0.129 54.245 54.000 0.194 0.000 0.870 201 D CB 0.745 41.647 40.800 0.171 0.000 1.076 201 D HN 0.437 nan 8.370 nan 0.000 0.483 202 F N 3.249 123.256 119.950 0.096 0.000 2.466 202 F HA 0.172 4.699 4.527 -0.000 0.000 0.363 202 F C -0.255 175.521 175.800 -0.039 0.000 1.109 202 F CA -0.477 57.590 58.000 0.112 0.000 1.161 202 F CB 0.496 39.557 39.000 0.101 0.000 1.117 202 F HN -0.001 nan 8.300 nan 0.000 0.539 203 V N 7.324 127.142 119.914 -0.160 0.000 2.328 203 V HA 0.039 4.159 4.120 -0.000 0.000 0.278 203 V C -0.687 175.246 176.094 -0.268 0.000 1.021 203 V CA -0.768 61.413 62.300 -0.200 0.000 0.838 203 V CB 0.659 32.349 31.823 -0.221 0.000 0.999 203 V HN 0.766 nan 8.190 nan 0.000 0.447 204 W N 5.392 126.505 121.300 -0.311 0.000 2.335 204 W HA 0.646 5.306 4.660 -0.000 0.000 0.306 204 W C 0.305 176.714 176.519 -0.183 0.000 1.216 204 W CA -0.236 57.007 57.345 -0.170 0.000 1.237 204 W CB 0.921 30.339 29.460 -0.070 0.000 1.243 204 W HN 0.670 nan 8.180 nan 0.000 0.493 205 A N 6.841 129.154 122.820 -0.845 0.000 2.282 205 A HA 0.774 5.094 4.320 -0.000 0.000 0.319 205 A C -1.405 175.564 177.584 -1.026 0.000 1.121 205 A CA -0.758 50.738 52.037 -0.902 0.000 0.836 205 A CB 1.027 19.182 19.000 -1.408 0.000 1.146 205 A HN 0.739 nan 8.150 nan 0.000 0.494 206 I N 0.073 120.249 120.570 -0.657 0.000 2.647 206 I HA 0.352 4.522 4.170 -0.000 0.000 0.295 206 I C -0.896 174.828 176.117 -0.655 0.000 1.078 206 I CA -0.439 60.505 61.300 -0.594 0.000 1.048 206 I CB 1.868 39.804 38.000 -0.106 0.000 1.239 206 I HN 0.834 nan 8.210 nan 0.000 0.421 207 H N 8.102 126.616 119.070 -0.928 0.000 2.348 207 H HA 0.403 4.959 4.556 -0.000 0.000 0.232 207 H C -2.385 172.539 175.328 -0.673 0.000 1.419 207 H CA -1.692 53.940 56.048 -0.694 0.000 1.416 207 H CB 1.286 30.650 29.762 -0.663 0.000 1.510 207 H HN 0.387 nan 8.280 nan 0.000 0.507 208 P HA 0.133 nan 4.420 nan 0.000 0.267 208 P C 1.429 178.302 177.300 -0.711 0.000 1.289 208 P CA 0.382 62.592 63.100 -1.483 0.000 0.866 208 P CB 0.392 30.832 31.700 -2.100 0.000 1.309 209 G N 0.836 109.341 108.800 -0.492 0.000 2.443 209 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 209 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 209 G C 1.642 176.475 174.900 -0.112 0.000 1.131 209 G CA 0.447 45.457 45.100 -0.150 0.000 0.775 209 G HN 0.233 nan 8.290 nan 0.000 0.547 210 Q N 1.270 121.006 119.800 -0.107 0.000 2.170 210 Q HA -0.082 4.258 4.340 -0.000 0.000 0.203 210 Q C 1.383 177.383 176.000 -0.000 0.000 0.976 210 Q CA 1.863 57.655 55.803 -0.018 0.000 0.858 210 Q CB -0.011 28.745 28.738 0.031 0.000 0.907 210 Q HN 0.615 nan 8.270 nan 0.000 0.433 211 D N -2.010 118.410 120.400 0.034 0.000 2.540 211 D HA 0.064 4.704 4.640 -0.000 0.000 0.229 211 D C 0.139 176.457 176.300 0.030 0.000 1.250 211 D CA -0.381 53.645 54.000 0.043 0.000 0.817 211 D CB -0.602 40.248 40.800 0.083 0.000 1.060 211 D HN 0.307 nan 8.370 nan 0.000 0.508 212 I N 0.852 121.382 120.570 -0.067 0.000 2.648 212 I HA 0.058 4.228 4.170 -0.000 0.000 0.284 212 I C -0.365 175.527 176.117 -0.375 0.000 1.153 212 I CA 0.025 61.212 61.300 -0.188 0.000 1.426 212 I CB 0.475 38.160 38.000 -0.524 0.000 1.381 212 I HN -0.258 nan 8.210 nan 0.000 0.571 213 K N 6.276 126.520 120.400 -0.260 0.000 2.182 213 K HA 0.242 4.562 4.320 -0.000 0.000 0.262 213 K C -1.223 175.241 176.600 -0.228 0.000 0.957 213 K CA -0.039 56.104 56.287 -0.241 0.000 0.842 213 K CB 0.934 33.389 32.500 -0.075 0.000 1.099 213 K HN 0.471 nan 8.250 nan 0.000 0.438 214 W N 4.129 125.434 121.300 0.009 0.000 1.564 214 W HA 0.087 4.747 4.660 0.000 0.000 0.448 214 W C 0.169 176.670 176.519 -0.030 0.000 0.601 214 W CA -0.606 56.728 57.345 -0.018 0.000 2.326 214 W CB -0.329 29.112 29.460 -0.032 0.000 1.355 214 W HN 0.550 nan 8.180 nan 0.000 0.382 215 N N -0.634 118.149 118.700 0.137 0.000 2.653 215 N HA 0.257 4.997 4.740 -0.000 0.000 0.294 215 N C 0.874 176.402 175.510 0.029 0.000 1.305 215 N CA -1.018 52.073 53.050 0.068 0.000 0.827 215 N CB 0.715 39.225 38.487 0.039 0.000 1.415 215 N HN 0.017 nan 8.380 nan 0.000 0.546 216 K N -0.274 120.127 120.400 0.002 0.000 2.097 216 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 216 K C 1.357 177.953 176.600 -0.007 0.000 1.049 216 K CA 1.421 57.695 56.287 -0.021 0.000 0.933 216 K CB -0.070 32.422 32.500 -0.014 0.000 0.717 216 K HN 0.689 nan 8.250 nan 0.000 0.442 217 E N 0.271 120.471 120.200 0.001 0.000 2.051 217 E HA -0.219 4.130 4.350 -0.000 0.000 0.192 217 E C 1.304 177.911 176.600 0.011 0.000 0.991 217 E CA 1.710 58.109 56.400 -0.002 0.000 0.799 217 E CB 0.022 29.714 29.700 -0.013 0.000 0.748 217 E HN 0.339 nan 8.360 nan 0.000 0.449 218 D N -0.183 120.238 120.400 0.034 0.000 2.123 218 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 218 D C 1.993 178.373 176.300 0.134 0.000 0.976 218 D CA 0.680 54.748 54.000 0.113 0.000 0.831 218 D CB -0.236 40.651 40.800 0.145 0.000 0.974 218 D HN 0.113 nan 8.370 nan 0.000 0.469 219 R N 0.763 121.297 120.500 0.057 0.000 2.094 219 R HA -0.175 4.165 4.340 -0.000 0.000 0.239 219 R C 1.319 177.631 176.300 0.021 0.000 1.137 219 R CA 1.921 58.021 56.100 0.000 0.000 0.943 219 R CB -0.063 30.159 30.300 -0.129 0.000 0.850 219 R HN 0.027 nan 8.270 nan 0.000 0.433 220 D N 0.214 120.628 120.400 0.024 0.000 2.144 220 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 220 D C 1.790 178.112 176.300 0.037 0.000 0.984 220 D CA 0.787 54.812 54.000 0.041 0.000 0.834 220 D CB -0.095 40.724 40.800 0.031 0.000 0.955 220 D HN 0.169 nan 8.370 nan 0.000 0.465 221 L N 0.429 121.681 121.223 0.047 0.000 2.109 221 L HA -0.003 4.337 4.340 -0.000 0.000 0.207 221 L C 2.310 179.251 176.870 0.120 0.000 1.086 221 L CA 0.925 55.795 54.840 0.050 0.000 0.760 221 L CB -1.026 41.026 42.059 -0.012 0.000 0.910 221 L HN 0.090 nan 8.230 nan 0.000 0.437 222 L N -1.445 119.875 121.223 0.162 0.000 2.017 222 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 222 L C 2.333 179.073 176.870 -0.217 0.000 1.073 222 L CA 1.169 56.031 54.840 0.037 0.000 0.745 222 L CB -0.076 41.909 42.059 -0.122 0.000 0.894 222 L HN 0.162 nan 8.230 nan 0.000 0.432 223 L N -0.239 120.877 121.223 -0.178 0.000 2.093 223 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 223 L C 2.715 179.516 176.870 -0.116 0.000 1.085 223 L CA 1.582 56.284 54.840 -0.231 0.000 0.755 223 L CB -0.955 41.049 42.059 -0.091 0.000 0.904 223 L HN 0.295 nan 8.230 nan 0.000 0.435 224 A N -0.430 122.379 122.820 -0.018 0.000 1.908 224 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 224 A C 2.349 179.967 177.584 0.056 0.000 1.181 224 A CA 2.076 54.127 52.037 0.024 0.000 0.627 224 A CB -0.469 18.549 19.000 0.030 0.000 0.818 224 A HN 0.287 nan 8.150 nan 0.000 0.445 225 K N -0.785 119.671 120.400 0.093 0.000 2.026 225 K HA -0.098 4.222 4.320 -0.000 0.000 0.208 225 K C 1.531 178.280 176.600 0.248 0.000 1.048 225 K CA 1.557 57.948 56.287 0.173 0.000 0.929 225 K CB -0.685 31.991 32.500 0.293 0.000 0.713 225 K HN 0.287 nan 8.250 nan 0.000 0.439 226 F N 1.590 121.505 119.950 -0.059 0.000 2.126 226 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 226 F C 2.359 178.102 175.800 -0.096 0.000 1.096 226 F CA 1.706 59.594 58.000 -0.187 0.000 1.255 226 F CB -1.148 37.337 39.000 -0.860 0.000 0.997 226 F HN 0.280 nan 8.300 nan 0.000 0.479 227 E N 0.773 121.011 120.200 0.064 0.000 2.085 227 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 227 E C 1.180 177.923 176.600 0.239 0.000 0.994 227 E CA 1.069 57.604 56.400 0.224 0.000 0.801 227 E CB -0.142 29.644 29.700 0.144 0.000 0.743 227 E HN -0.039 nan 8.360 nan 0.000 0.453 231 Q N 1.127 121.055 119.800 0.212 0.000 2.226 231 Q HA -0.054 4.286 4.340 -0.000 0.000 0.204 231 Q C 1.411 177.379 176.000 -0.053 0.000 0.975 231 Q CA 1.997 57.847 55.803 0.079 0.000 0.866 231 Q CB 0.031 28.826 28.738 0.095 0.000 0.915 231 Q HN 0.545 nan 8.270 nan 0.000 0.440 232 L N -1.178 119.984 121.223 -0.102 0.000 2.599 232 L HA 0.135 4.475 4.340 -0.000 0.000 0.230 232 L C 1.152 177.881 176.870 -0.234 0.000 1.141 232 L CA 0.496 55.227 54.840 -0.182 0.000 0.877 232 L CB 0.020 41.929 42.059 -0.250 0.000 1.009 232 L HN 0.415 nan 8.230 nan 0.000 0.447 233 G N -0.425 108.226 108.800 -0.248 0.000 2.184 233 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.206 233 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.206 233 G C 0.177 174.901 174.900 -0.294 0.000 0.995 233 G CA -0.225 44.703 45.100 -0.287 0.000 0.651 233 G HN 0.042 nan 8.290 nan 0.000 0.511 234 V N 1.543 121.294 119.914 -0.271 0.000 2.572 234 V HA 0.426 4.546 4.120 -0.000 0.000 0.291 234 V C 1.330 177.336 176.094 -0.146 0.000 1.039 234 V CA 0.150 62.297 62.300 -0.256 0.000 1.055 234 V CB 1.375 32.989 31.823 -0.349 0.000 0.969 234 V HN 0.306 nan 8.190 nan 0.000 0.482 235 R N 1.874 122.305 120.500 -0.114 0.000 2.509 235 R HA 0.329 4.669 4.340 -0.000 0.000 0.297 235 R C -0.123 176.253 176.300 0.127 0.000 0.951 235 R CA -0.017 56.139 56.100 0.092 0.000 1.103 235 R CB 0.992 31.323 30.300 0.052 0.000 1.283 235 R HN 0.636 nan 8.270 nan 0.000 0.534 236 S N 0.184 115.792 115.700 -0.154 0.000 2.549 236 S HA 0.737 5.207 4.470 -0.000 0.000 0.280 236 S C -1.094 173.221 174.600 -0.474 0.000 1.109 236 S CA -0.439 57.715 58.200 -0.078 0.000 0.905 236 S CB 1.879 65.063 63.200 -0.027 0.000 1.081 236 S HN 0.025 nan 8.310 nan 0.000 0.477 237 F N 0.604 120.550 119.950 -0.006 0.000 2.613 237 F HA 0.799 5.325 4.527 -0.000 0.000 0.310 237 F C 0.001 175.757 175.800 -0.073 0.000 1.085 237 F CA -0.688 57.237 58.000 -0.126 0.000 0.945 237 F CB 1.934 40.732 39.000 -0.338 0.000 1.298 237 F HN 0.729 nan 8.300 nan 0.000 0.455 238 A N 1.116 123.969 122.820 0.056 0.000 2.539 238 A HA 0.889 5.209 4.320 -0.000 0.000 0.296 238 A C -2.007 175.563 177.584 -0.023 0.000 1.073 238 A CA -0.782 51.248 52.037 -0.012 0.000 0.700 238 A CB 1.727 20.611 19.000 -0.193 0.000 1.296 238 A HN 0.524 nan 8.150 nan 0.000 0.405 239 V N 1.819 121.739 119.914 0.010 0.000 2.487 239 V HA 0.580 4.700 4.120 -0.000 0.000 0.298 239 V C -1.362 174.664 176.094 -0.114 0.000 1.028 239 V CA -0.464 61.733 62.300 -0.172 0.000 0.860 239 V CB 1.169 32.903 31.823 -0.148 0.000 0.991 239 V HN 0.668 nan 8.190 nan 0.000 0.427 240 F N 4.278 123.978 119.950 -0.417 0.000 2.444 240 F HA 0.622 5.149 4.527 -0.000 0.000 0.342 240 F C 0.098 175.594 175.800 -0.507 0.000 1.121 240 F CA -1.763 56.088 58.000 -0.249 0.000 0.997 240 F CB 1.523 40.550 39.000 0.046 0.000 1.130 240 F HN 0.394 nan 8.300 nan 0.000 0.454 241 F N 0.845 120.917 119.950 0.204 0.000 2.791 241 F HA 0.150 4.677 4.527 -0.000 0.000 0.308 241 F C 0.424 176.290 175.800 0.111 0.000 1.138 241 F CA -0.970 57.078 58.000 0.081 0.000 1.294 241 F CB -0.171 38.919 39.000 0.150 0.000 0.975 241 F HN 0.247 nan 8.300 nan 0.000 0.512 242 D N -0.795 119.741 120.400 0.228 0.000 2.345 242 D HA 0.079 4.719 4.640 -0.000 0.000 0.247 242 D C -0.047 176.457 176.300 0.340 0.000 1.108 242 D CA -0.077 54.040 54.000 0.195 0.000 0.894 242 D CB 0.954 41.546 40.800 -0.347 0.000 1.203 242 D HN 0.030 nan 8.370 nan 0.000 0.430 243 D N -0.003 120.649 120.400 0.420 0.000 2.705 243 D HA -0.144 4.496 4.640 -0.000 0.000 0.240 243 D C -0.165 176.306 176.300 0.285 0.000 1.137 243 D CA 0.705 54.941 54.000 0.393 0.000 0.677 243 D CB -1.542 39.501 40.800 0.405 0.000 1.049 243 D HN 0.665 nan 8.370 nan 0.000 0.427 244 I N -3.682 117.006 120.570 0.198 0.000 3.174 244 I HA 0.793 4.963 4.170 -0.000 0.000 0.313 244 I C -0.069 176.088 176.117 0.066 0.000 1.155 244 I CA -0.947 60.422 61.300 0.115 0.000 0.977 244 I CB 2.561 40.602 38.000 0.067 0.000 1.248 244 I HN -0.013 nan 8.210 nan 0.000 0.453 245 S N 1.226 116.950 115.700 0.040 0.000 2.632 245 S HA 1.007 5.477 4.470 -0.000 0.000 0.289 245 S C -0.029 174.583 174.600 0.020 0.000 1.115 245 S CA -0.145 58.064 58.200 0.014 0.000 0.889 245 S CB 1.352 64.550 63.200 -0.004 0.000 1.116 245 S HN 2.274 nan 8.310 nan 0.000 0.486 246 G N 1.417 110.229 108.800 0.019 0.000 2.512 246 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.210 246 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.210 246 G C 0.186 175.123 174.900 0.062 0.000 1.295 246 G CA 0.130 45.247 45.100 0.028 0.000 0.934 246 G HN 0.664 nan 8.290 nan 0.000 0.554 247 E N 0.675 120.916 120.200 0.068 0.000 2.204 247 E HA -0.057 4.293 4.350 -0.000 0.000 0.195 247 E C 2.610 179.380 176.600 0.283 0.000 0.990 247 E CA 1.510 58.008 56.400 0.164 0.000 0.821 247 E CB -0.783 28.996 29.700 0.132 0.000 0.750 247 E HN 0.935 nan 8.360 nan 0.000 0.477 248 G N 1.405 110.256 108.800 0.084 0.000 2.586 248 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.215 248 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.215 248 G C 1.565 176.598 174.900 0.222 0.000 1.128 248 G CA 1.404 46.568 45.100 0.107 0.000 0.774 248 G HN 0.391 nan 8.290 nan 0.000 0.543 249 T N -1.977 112.686 114.554 0.181 0.000 3.129 249 T HA 0.080 4.430 4.350 -0.000 0.000 0.251 249 T C 1.008 175.820 174.700 0.186 0.000 1.117 249 T CA -0.323 61.868 62.100 0.150 0.000 1.034 249 T CB -0.069 68.855 68.868 0.092 0.000 0.968 249 T HN 0.130 nan 8.240 nan 0.000 0.526 250 N N 3.437 122.230 118.700 0.155 0.000 2.416 250 N HA 0.103 4.843 4.740 -0.000 0.000 0.265 250 N C -1.429 173.989 175.510 -0.154 0.000 1.195 250 N CA -2.016 51.042 53.050 0.014 0.000 0.943 250 N CB 1.622 40.079 38.487 -0.051 0.000 1.115 250 N HN 0.112 nan 8.380 nan 0.000 0.481 251 P HA -0.166 nan 4.420 nan 0.000 0.219 251 P C 1.120 178.196 177.300 -0.374 0.000 1.150 251 P CA 1.084 63.935 63.100 -0.415 0.000 0.814 251 P CB 0.397 31.669 31.700 -0.714 0.000 0.787 252 Q N 0.268 119.877 119.800 -0.319 0.000 2.079 252 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 252 Q C 2.020 177.777 176.000 -0.405 0.000 0.974 252 Q CA 1.395 57.017 55.803 -0.301 0.000 0.840 252 Q CB -0.107 28.488 28.738 -0.239 0.000 0.898 252 Q HN 0.074 nan 8.270 nan 0.000 0.430 253 K N 0.338 120.365 120.400 -0.622 0.000 2.103 253 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 253 K C 2.077 178.098 176.600 -0.965 0.000 1.052 253 K CA 1.030 56.689 56.287 -1.048 0.000 0.945 253 K CB -0.090 31.172 32.500 -2.063 0.000 0.722 253 K HN 0.387 nan 8.250 nan 0.000 0.443 254 Q N 0.417 119.792 119.800 -0.709 0.000 2.020 254 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 254 Q C 2.199 178.100 176.000 -0.166 0.000 0.982 254 Q CA 1.730 57.274 55.803 -0.432 0.000 0.838 254 Q CB -0.276 28.108 28.738 -0.591 0.000 0.899 254 Q HN 0.326 nan 8.270 nan 0.000 0.423 255 A N 1.192 123.896 122.820 -0.193 0.000 1.908 255 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 255 A C 1.840 179.388 177.584 -0.060 0.000 1.181 255 A CA 1.745 53.725 52.037 -0.095 0.000 0.627 255 A CB -0.506 18.418 19.000 -0.128 0.000 0.818 255 A HN 0.364 nan 8.150 nan 0.000 0.445 256 E N -0.923 119.199 120.200 -0.130 0.000 2.077 256 E HA -0.179 4.170 4.350 -0.000 0.000 0.193 256 E C 1.961 178.568 176.600 0.013 0.000 0.989 256 E CA 1.201 57.552 56.400 -0.081 0.000 0.800 256 E CB -0.235 29.366 29.700 -0.165 0.000 0.746 256 E HN 0.543 nan 8.360 nan 0.000 0.452 257 L N 0.858 122.085 121.223 0.006 0.000 2.017 257 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 257 L C 2.040 179.030 176.870 0.200 0.000 1.073 257 L CA 1.470 56.395 54.840 0.142 0.000 0.745 257 L CB -0.348 41.874 42.059 0.272 0.000 0.894 257 L HN 0.137 nan 8.230 nan 0.000 0.432 258 L N 0.056 121.388 121.223 0.182 0.000 2.042 258 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 258 L C 2.398 179.364 176.870 0.160 0.000 1.076 258 L CA 1.636 56.590 54.840 0.189 0.000 0.749 258 L CB -1.731 40.441 42.059 0.187 0.000 0.893 258 L HN 0.433 nan 8.230 nan 0.000 0.432 259 N N -0.764 118.011 118.700 0.125 0.000 2.149 259 N HA -0.249 4.491 4.740 -0.000 0.000 0.188 259 N C 1.784 177.372 175.510 0.129 0.000 1.019 259 N CA 1.129 54.242 53.050 0.104 0.000 0.857 259 N CB -0.513 38.015 38.487 0.068 0.000 0.997 259 N HN 0.369 nan 8.380 nan 0.000 0.426 260 Y N 1.320 121.646 120.300 0.043 0.000 2.163 260 Y HA -0.035 4.515 4.550 -0.000 0.000 0.288 260 Y C 2.158 178.097 175.900 0.065 0.000 1.136 260 Y CA 1.240 59.366 58.100 0.043 0.000 1.147 260 Y CB -0.291 38.188 38.460 0.032 0.000 0.987 260 Y HN -0.045 nan 8.280 nan 0.000 0.509 261 I N 0.089 120.761 120.570 0.169 0.000 2.208 261 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 261 I C 2.235 178.435 176.117 0.138 0.000 1.097 261 I CA 1.830 63.208 61.300 0.128 0.000 1.363 261 I CB -0.484 37.626 38.000 0.183 0.000 1.051 261 I HN 0.249 nan 8.210 nan 0.000 0.413 262 D N 0.968 121.443 120.400 0.125 0.000 2.092 262 D HA -0.218 4.422 4.640 -0.000 0.000 0.193 262 D C 2.075 178.394 176.300 0.031 0.000 0.994 262 D CA 1.700 55.761 54.000 0.101 0.000 0.828 262 D CB 0.029 40.885 40.800 0.094 0.000 0.963 262 D HN 0.327 nan 8.370 nan 0.000 0.450 263 E N -0.878 119.309 120.200 -0.021 0.000 2.107 263 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 263 E C 1.732 178.257 176.600 -0.126 0.000 0.982 263 E CA 0.768 57.128 56.400 -0.067 0.000 0.809 263 E CB 0.203 29.867 29.700 -0.060 0.000 0.756 263 E HN 0.059 nan 8.360 nan 0.000 0.459 264 K N -0.932 119.331 120.400 -0.228 0.000 2.393 264 K HA 0.097 4.417 4.320 -0.000 0.000 0.193 264 K C 0.788 177.368 176.600 -0.032 0.000 1.026 264 K CA 0.333 56.483 56.287 -0.229 0.000 1.064 264 K CB 0.443 32.617 32.500 -0.542 0.000 0.833 264 K HN 0.118 nan 8.250 nan 0.000 0.521 265 F N -0.558 119.294 119.950 -0.164 0.000 2.083 265 F HA 0.265 4.792 4.527 -0.000 0.000 0.259 265 F C 1.690 177.430 175.800 -0.100 0.000 0.953 265 F CA 0.551 58.469 58.000 -0.137 0.000 1.156 265 F CB -0.297 38.636 39.000 -0.111 0.000 1.297 265 F HN -0.165 nan 8.300 nan 0.000 0.733 266 A N 0.220 123.047 122.820 0.012 0.000 1.972 266 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 266 A C 1.668 179.206 177.584 -0.076 0.000 1.169 266 A CA 1.622 53.630 52.037 -0.048 0.000 0.635 266 A CB -0.539 18.532 19.000 0.117 0.000 0.810 266 A HN 0.537 nan 8.150 nan 0.000 0.446 267 Q N -0.760 119.006 119.800 -0.056 0.000 2.360 267 Q HA 0.155 4.495 4.340 -0.000 0.000 0.202 267 Q C 1.596 177.546 176.000 -0.083 0.000 0.915 267 Q CA 0.545 56.317 55.803 -0.051 0.000 0.943 267 Q CB 0.287 29.009 28.738 -0.027 0.000 1.064 267 Q HN 0.510 nan 8.270 nan 0.000 0.511 268 V N -0.146 119.684 119.914 -0.140 0.000 3.048 268 V HA 0.043 4.163 4.120 -0.000 0.000 0.241 268 V C 0.696 176.672 176.094 -0.196 0.000 1.129 268 V CA 0.508 62.721 62.300 -0.146 0.000 1.128 268 V CB 0.271 32.012 31.823 -0.136 0.000 0.849 268 V HN 0.057 nan 8.190 nan 0.000 0.475 269 K N 1.827 122.034 120.400 -0.322 0.000 2.237 269 K HA 0.221 4.540 4.320 -0.000 0.000 0.270 269 K C -1.501 175.022 176.600 -0.128 0.000 1.015 269 K CA -1.991 54.100 56.287 -0.327 0.000 0.949 269 K CB 0.525 32.668 32.500 -0.595 0.000 0.976 269 K HN 0.063 nan 8.250 nan 0.000 0.472 270 P HA -0.089 nan 4.420 nan 0.000 0.226 270 P C -0.227 177.095 177.300 0.036 0.000 1.153 270 P CA 1.120 64.225 63.100 0.008 0.000 0.777 270 P CB 0.332 32.051 31.700 0.032 0.000 0.794 271 D N -1.519 118.926 120.400 0.075 0.000 2.914 271 D HA 0.093 4.733 4.640 -0.000 0.000 0.349 271 D C -0.035 176.340 176.300 0.125 0.000 1.540 271 D CA -0.473 53.582 54.000 0.092 0.000 0.778 271 D CB -0.549 40.305 40.800 0.089 0.000 1.213 271 D HN 0.004 nan 8.370 nan 0.000 0.451 272 I N 1.240 121.878 120.570 0.113 0.000 2.441 272 I HA 0.195 4.365 4.170 -0.000 0.000 0.287 272 I C 0.851 177.056 176.117 0.147 0.000 1.049 272 I CA -0.077 61.320 61.300 0.161 0.000 1.381 272 I CB 0.665 38.734 38.000 0.116 0.000 1.409 272 I HN -0.013 nan 8.210 nan 0.000 0.523 273 N N 4.239 123.038 118.700 0.166 0.000 2.333 273 N HA 0.075 4.815 4.740 -0.000 0.000 0.234 273 N C -0.169 175.429 175.510 0.147 0.000 1.035 273 N CA -0.214 52.927 53.050 0.152 0.000 1.171 273 N CB 0.001 38.577 38.487 0.149 0.000 1.503 273 N HN 0.566 nan 8.380 nan 0.000 0.624 274 Q N 0.649 120.510 119.800 0.101 0.000 2.259 274 Q HA 0.445 4.784 4.340 -0.000 0.000 0.249 274 Q C -1.378 174.679 176.000 0.095 0.000 0.914 274 Q CA -0.337 55.480 55.803 0.023 0.000 0.904 274 Q CB 1.883 30.528 28.738 -0.155 0.000 1.213 274 Q HN 0.202 nan 8.270 nan 0.000 0.428 275 L N 3.184 124.460 121.223 0.088 0.000 2.404 275 L HA 0.561 4.901 4.340 -0.000 0.000 0.272 275 L C -1.414 175.497 176.870 0.067 0.000 0.980 275 L CA -0.478 54.446 54.840 0.140 0.000 0.836 275 L CB 1.764 43.939 42.059 0.193 0.000 1.238 275 L HN 0.496 nan 8.230 nan 0.000 0.408 279 P HA 0.289 nan 4.420 nan 0.000 0.274 279 P C 0.667 178.221 177.300 0.424 0.000 1.256 279 P CA 0.274 63.666 63.100 0.488 0.000 0.795 279 P CB 0.774 32.820 31.700 0.576 0.000 1.038 280 T N -0.743 114.028 114.554 0.362 0.000 2.777 280 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 280 T C 0.483 175.165 174.700 -0.031 0.000 1.040 280 T CA 1.369 63.554 62.100 0.143 0.000 1.141 280 T CB -0.304 68.568 68.868 0.006 0.000 0.868 280 T HN 0.498 nan 8.240 nan 0.000 0.444 281 E N 1.492 121.506 120.200 -0.310 0.000 1.986 281 E HA 0.171 4.520 4.350 -0.000 0.000 0.264 281 E C -0.497 176.183 176.600 0.132 0.000 1.023 281 E CA -0.324 55.978 56.400 -0.163 0.000 0.834 281 E CB 0.389 29.937 29.700 -0.252 0.000 1.111 281 E HN 0.674 nan 8.360 nan 0.000 0.417 282 Y N 1.570 121.840 120.300 -0.051 0.000 2.531 282 Y HA 0.293 4.843 4.550 -0.000 0.000 0.249 282 Y C -0.293 175.012 175.900 -0.991 0.000 1.168 282 Y CA -1.130 56.829 58.100 -0.235 0.000 1.226 282 Y CB -0.178 38.071 38.460 -0.352 0.000 1.177 282 Y HN 0.272 nan 8.280 nan 0.000 0.527 283 N N -1.645 116.388 118.700 -1.111 0.000 2.591 283 N HA 0.182 4.922 4.740 -0.000 0.000 0.263 283 N C 0.028 175.161 175.510 -0.629 0.000 1.308 283 N CA -1.058 51.132 53.050 -1.432 0.000 0.837 283 N CB 1.525 39.403 38.487 -1.015 0.000 1.548 283 N HN -0.030 nan 8.380 nan 0.000 0.493 284 K N 0.100 120.294 120.400 -0.342 0.000 2.032 284 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 284 K C 1.527 178.034 176.600 -0.156 0.000 1.048 284 K CA 2.133 58.319 56.287 -0.170 0.000 0.927 284 K CB -0.316 31.913 32.500 -0.452 0.000 0.712 284 K HN 0.683 nan 8.250 nan 0.000 0.441 285 S N -0.700 114.906 115.700 -0.156 0.000 2.419 285 S HA -0.152 4.318 4.470 -0.000 0.000 0.235 285 S C 1.392 176.072 174.600 0.133 0.000 1.019 285 S CA 0.800 58.984 58.200 -0.026 0.000 0.982 285 S CB -0.391 62.803 63.200 -0.011 0.000 0.789 285 S HN 0.466 nan 8.310 nan 0.000 0.490 286 W N 3.094 124.249 121.300 -0.243 0.000 3.278 286 W HA 0.447 5.107 4.660 -0.000 0.000 0.308 286 W C 0.763 177.184 176.519 -0.162 0.000 1.253 286 W CA -0.751 56.443 57.345 -0.253 0.000 1.759 286 W CB -0.612 28.581 29.460 -0.445 0.000 1.093 286 W HN 0.405 nan 8.180 nan 0.000 0.648 287 S N 1.057 116.852 115.700 0.158 0.000 2.489 287 S HA 0.190 4.660 4.470 -0.000 0.000 0.277 287 S C -0.078 174.617 174.600 0.159 0.000 1.230 287 S CA -0.617 57.714 58.200 0.219 0.000 1.053 287 S CB 0.928 64.406 63.200 0.463 0.000 0.955 287 S HN 0.100 nan 8.310 nan 0.000 0.488 288 N N 4.608 123.376 118.700 0.114 0.000 2.431 288 N HA 0.308 5.048 4.740 -0.000 0.000 0.265 288 N C -2.464 173.120 175.510 0.122 0.000 1.184 288 N CA -1.630 51.466 53.050 0.076 0.000 0.943 288 N CB 0.297 38.808 38.487 0.039 0.000 1.080 288 N HN 0.461 nan 8.380 nan 0.000 0.477 289 P HA 0.169 nan 4.420 nan 0.000 0.271 289 P C -0.523 176.837 177.300 0.099 0.000 1.216 289 P CA 0.101 63.284 63.100 0.139 0.000 0.771 289 P CB 0.279 32.051 31.700 0.120 0.000 0.864 290 N N -1.075 117.685 118.700 0.101 0.000 2.863 290 N HA -0.159 4.581 4.740 -0.000 0.000 0.245 290 N C 0.718 176.262 175.510 0.058 0.000 1.001 290 N CA 1.212 54.301 53.050 0.066 0.000 0.901 290 N CB -1.558 36.959 38.487 0.051 0.000 1.124 290 N HN 0.678 nan 8.380 nan 0.000 0.582 291 G N -0.441 108.406 108.800 0.077 0.000 2.562 291 G HA2 0.428 4.388 3.960 -0.000 0.000 0.275 291 G HA3 0.428 4.388 3.960 -0.000 0.000 0.275 291 G C 0.194 175.144 174.900 0.084 0.000 1.196 291 G CA -0.438 44.709 45.100 0.078 0.000 0.908 291 G HN 0.353 nan 8.290 nan 0.000 0.524 292 N N -0.846 117.899 118.700 0.074 0.000 2.338 292 N HA 0.110 4.850 4.740 -0.000 0.000 0.251 292 N C 0.546 176.081 175.510 0.043 0.000 1.199 292 N CA -0.423 52.650 53.050 0.039 0.000 0.879 292 N CB 0.553 39.038 38.487 -0.003 0.000 1.159 292 N HN 0.591 nan 8.380 nan 0.000 0.514 293 Y N 1.246 121.556 120.300 0.016 0.000 2.089 293 Y HA -0.137 4.413 4.550 -0.000 0.000 0.282 293 Y C 1.575 177.488 175.900 0.021 0.000 1.139 293 Y CA 1.628 59.741 58.100 0.023 0.000 1.123 293 Y CB 0.032 38.525 38.460 0.056 0.000 0.980 293 Y HN 0.085 nan 8.280 nan 0.000 0.493 294 L N -0.454 120.893 121.223 0.206 0.000 2.109 294 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 294 L C 2.601 179.431 176.870 -0.067 0.000 1.086 294 L CA 1.670 56.570 54.840 0.100 0.000 0.760 294 L CB -0.955 41.183 42.059 0.132 0.000 0.910 294 L HN 0.408 nan 8.230 nan 0.000 0.437 295 T N -4.548 109.961 114.554 -0.076 0.000 2.821 295 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 295 T C 1.819 176.452 174.700 -0.111 0.000 1.046 295 T CA 1.617 63.656 62.100 -0.101 0.000 1.139 295 T CB -0.681 68.134 68.868 -0.089 0.000 0.871 295 T HN 0.171 nan 8.240 nan 0.000 0.454 296 T N 2.557 117.031 114.554 -0.134 0.000 2.684 296 T HA 0.057 4.407 4.350 -0.000 0.000 0.267 296 T C 1.908 176.498 174.700 -0.183 0.000 1.036 296 T CA 1.355 63.356 62.100 -0.164 0.000 1.148 296 T CB -0.548 68.196 68.868 -0.207 0.000 0.863 296 T HN 0.294 nan 8.240 nan 0.000 0.436 297 L N 0.610 121.692 121.223 -0.235 0.000 2.017 297 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 297 L C 3.085 179.898 176.870 -0.095 0.000 1.073 297 L CA 1.524 56.259 54.840 -0.175 0.000 0.745 297 L CB -1.275 40.684 42.059 -0.167 0.000 0.894 297 L HN 0.378 nan 8.230 nan 0.000 0.432 298 G N -0.118 108.628 108.800 -0.091 0.000 2.513 298 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.219 298 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.219 298 G C 1.153 176.015 174.900 -0.062 0.000 1.160 298 G CA 1.272 46.329 45.100 -0.073 0.000 0.767 298 G HN 0.336 nan 8.290 nan 0.000 0.571 299 D N 0.034 120.391 120.400 -0.073 0.000 2.162 299 D HA 0.016 4.656 4.640 -0.000 0.000 0.203 299 D C 2.482 178.750 176.300 -0.054 0.000 0.967 299 D CA 0.695 54.659 54.000 -0.061 0.000 0.840 299 D CB 0.004 40.764 40.800 -0.066 0.000 0.972 299 D HN 0.197 nan 8.370 nan 0.000 0.482 300 K N 0.153 120.513 120.400 -0.067 0.000 2.242 300 K HA 0.139 4.459 4.320 -0.000 0.000 0.200 300 K C 1.041 177.618 176.600 -0.038 0.000 1.050 300 K CA -0.123 56.128 56.287 -0.061 0.000 0.981 300 K CB 0.395 32.841 32.500 -0.091 0.000 0.795 300 K HN 0.170 nan 8.250 nan 0.000 0.477 301 L N 3.357 124.562 121.223 -0.030 0.000 2.410 301 L HA 0.020 4.360 4.340 -0.000 0.000 0.273 301 L C -0.023 176.858 176.870 0.018 0.000 1.144 301 L CA -0.267 54.575 54.840 0.004 0.000 0.863 301 L CB 0.241 42.312 42.059 0.020 0.000 1.140 301 L HN 0.096 nan 8.230 nan 0.000 0.463 302 N N 6.275 124.994 118.700 0.033 0.000 2.357 302 N HA -0.038 4.702 4.740 -0.000 0.000 0.257 302 N C -1.426 174.112 175.510 0.047 0.000 1.250 302 N CA -1.036 52.037 53.050 0.038 0.000 0.862 302 N CB 0.377 38.893 38.487 0.048 0.000 1.066 302 N HN 0.386 nan 8.380 nan 0.000 0.468 303 P HA -0.158 nan 4.420 nan 0.000 0.220 303 P C 0.910 178.252 177.300 0.069 0.000 1.144 303 P CA 1.215 64.343 63.100 0.047 0.000 0.800 303 P CB 0.124 31.846 31.700 0.036 0.000 0.772 304 S N -1.254 114.491 115.700 0.075 0.000 2.515 304 S HA -0.010 4.460 4.470 -0.000 0.000 0.231 304 S C 0.975 175.642 174.600 0.112 0.000 0.987 304 S CA 0.052 58.310 58.200 0.096 0.000 0.936 304 S CB -1.038 62.215 63.200 0.089 0.000 0.766 304 S HN 0.065 nan 8.310 nan 0.000 0.528 305 I N 2.566 123.197 120.570 0.103 0.000 2.365 305 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 305 I C 0.061 176.245 176.117 0.111 0.000 1.004 305 I CA -0.671 60.694 61.300 0.108 0.000 1.311 305 I CB 1.028 39.094 38.000 0.109 0.000 1.401 305 I HN 0.142 nan 8.210 nan 0.000 0.491 306 Q N 6.110 125.969 119.800 0.098 0.000 2.259 306 Q HA 0.599 4.939 4.340 -0.000 0.000 0.246 306 Q C -0.368 175.691 176.000 0.098 0.000 0.920 306 Q CA -0.292 55.579 55.803 0.112 0.000 0.895 306 Q CB 2.454 31.226 28.738 0.057 0.000 1.220 306 Q HN 0.541 nan 8.270 nan 0.000 0.439 310 T N 1.096 115.400 114.554 -0.415 0.000 3.069 310 T HA 0.513 4.862 4.350 -0.000 0.000 0.252 310 T C 0.771 175.257 174.700 -0.357 0.000 1.053 310 T CA 1.219 63.113 62.100 -0.344 0.000 0.964 310 T CB 0.780 69.366 68.868 -0.470 0.000 1.005 310 T HN 1.491 nan 8.240 nan 0.000 0.532 311 G N 1.195 109.599 108.800 -0.660 0.000 2.341 311 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.196 311 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.196 311 G C -0.457 174.263 174.900 -0.299 0.000 1.231 311 G CA 0.069 45.050 45.100 -0.199 0.000 1.155 311 G HN 0.149 nan 8.290 nan 0.000 0.529 312 D N 1.103 121.435 120.400 -0.113 0.000 2.277 312 D HA 0.138 4.778 4.640 -0.000 0.000 0.208 312 D C 1.457 177.606 176.300 -0.253 0.000 0.962 312 D CA 1.072 54.984 54.000 -0.147 0.000 0.865 312 D CB 0.211 40.964 40.800 -0.078 0.000 0.939 312 D HN 0.417 nan 8.370 nan 0.000 0.510 313 R N -0.943 119.378 120.500 -0.299 0.000 2.869 313 R HA 0.350 4.690 4.340 -0.000 0.000 0.263 313 R C 1.179 177.159 176.300 -0.533 0.000 1.066 313 R CA -0.772 55.112 56.100 -0.360 0.000 0.960 313 R CB 1.373 31.543 30.300 -0.215 0.000 1.221 313 R HN -0.288 nan 8.270 nan 0.000 0.474 314 V N 1.066 120.569 119.914 -0.685 0.000 2.282 314 V HA -0.158 3.962 4.120 -0.000 0.000 0.249 314 V C 1.064 176.735 176.094 -0.706 0.000 1.057 314 V CA 1.645 63.456 62.300 -0.815 0.000 1.032 314 V CB -0.244 30.959 31.823 -1.032 0.000 0.645 314 V HN 0.453 nan 8.190 nan 0.000 0.447 315 I N 0.312 120.474 120.570 -0.681 0.000 2.355 315 I HA 0.598 4.768 4.170 -0.000 0.000 0.288 315 I C -0.220 175.639 176.117 -0.431 0.000 0.999 315 I CA 0.399 61.303 61.300 -0.661 0.000 1.163 315 I CB 0.885 38.403 38.000 -0.802 0.000 1.316 315 I HN 0.216 nan 8.210 nan 0.000 0.454 316 S N 5.142 120.659 115.700 -0.306 0.000 2.543 316 S HA 0.506 4.976 4.470 -0.000 0.000 0.274 316 S C -1.570 173.176 174.600 0.244 0.000 1.149 316 S CA -0.713 57.481 58.200 -0.010 0.000 0.866 316 S CB 1.804 64.951 63.200 -0.089 0.000 1.111 316 S HN 0.512 nan 8.310 nan 0.000 0.457 317 D N 2.331 122.916 120.400 0.309 0.000 2.277 317 D HA 0.431 5.071 4.640 -0.000 0.000 0.250 317 D C -0.191 176.191 176.300 0.137 0.000 1.032 317 D CA -0.370 53.804 54.000 0.290 0.000 0.947 317 D CB 0.764 41.677 40.800 0.188 0.000 1.159 317 D HN 0.441 nan 8.370 nan 0.000 0.460 318 I N 1.444 122.051 120.570 0.061 0.000 2.315 318 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 318 I C 0.999 177.174 176.117 0.097 0.000 1.006 318 I CA -0.442 60.927 61.300 0.115 0.000 1.265 318 I CB 0.296 38.398 38.000 0.170 0.000 1.387 318 I HN 0.310 nan 8.210 nan 0.000 0.475 319 T N 2.820 117.446 114.554 0.119 0.000 2.940 319 T HA 0.472 4.822 4.350 -0.000 0.000 0.288 319 T C 1.075 175.843 174.700 0.114 0.000 1.045 319 T CA -0.738 61.423 62.100 0.101 0.000 1.018 319 T CB 2.288 71.209 68.868 0.090 0.000 1.151 319 T HN 0.613 nan 8.240 nan 0.000 0.529 320 R N 0.081 120.637 120.500 0.094 0.000 2.073 320 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 320 R C 1.413 177.777 176.300 0.105 0.000 1.134 320 R CA 1.956 58.110 56.100 0.090 0.000 0.952 320 R CB -0.554 29.787 30.300 0.070 0.000 0.850 320 R HN 0.712 nan 8.270 nan 0.000 0.433 321 D N -0.558 119.905 120.400 0.105 0.000 2.117 321 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 321 D C 1.716 178.123 176.300 0.179 0.000 0.987 321 D CA 1.561 55.638 54.000 0.127 0.000 0.829 321 D CB -0.575 40.288 40.800 0.105 0.000 0.961 321 D HN 0.510 nan 8.370 nan 0.000 0.460 322 G N 0.710 109.612 108.800 0.171 0.000 2.421 322 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.216 322 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.216 322 G C 1.714 176.792 174.900 0.296 0.000 1.171 322 G CA 0.468 45.709 45.100 0.235 0.000 0.775 322 G HN 0.293 nan 8.290 nan 0.000 0.543 323 I N 0.973 121.675 120.570 0.219 0.000 2.439 323 I HA -0.069 4.101 4.170 -0.000 0.000 0.251 323 I C 2.798 178.982 176.117 0.111 0.000 1.139 323 I CA 1.330 62.732 61.300 0.171 0.000 1.438 323 I CB 0.042 38.131 38.000 0.148 0.000 1.085 323 I HN 0.108 nan 8.210 nan 0.000 0.427 324 S N -0.261 115.514 115.700 0.124 0.000 2.382 324 S HA -0.257 4.213 4.470 -0.000 0.000 0.228 324 S C 1.591 176.238 174.600 0.078 0.000 1.027 324 S CA 1.565 59.815 58.200 0.083 0.000 0.991 324 S CB -0.825 62.428 63.200 0.089 0.000 0.823 324 S HN 0.717 nan 8.310 nan 0.000 0.469 325 W N 1.805 123.099 121.300 -0.011 0.000 2.338 325 W HA -0.121 4.539 4.660 -0.000 0.000 0.304 325 W C 1.967 178.415 176.519 -0.118 0.000 1.212 325 W CA 1.117 58.449 57.345 -0.021 0.000 1.264 325 W CB -0.325 29.161 29.460 0.044 0.000 1.142 325 W HN 0.257 nan 8.180 nan 0.000 0.512 326 I N 1.227 121.817 120.570 0.033 0.000 2.333 326 I HA -0.204 3.966 4.170 -0.000 0.000 0.246 326 I C 1.815 177.713 176.117 -0.365 0.000 1.106 326 I CA 1.766 62.821 61.300 -0.407 0.000 1.411 326 I CB -0.877 36.482 38.000 -1.068 0.000 1.082 326 I HN -0.109 nan 8.210 nan 0.000 0.420 327 N N 0.897 119.473 118.700 -0.206 0.000 2.205 327 N HA -0.242 4.498 4.740 -0.000 0.000 0.186 327 N C 1.814 177.230 175.510 -0.157 0.000 1.015 327 N CA 1.378 54.344 53.050 -0.140 0.000 0.862 327 N CB -0.390 38.060 38.487 -0.062 0.000 0.986 327 N HN 0.551 nan 8.380 nan 0.000 0.429 328 E N 0.478 120.560 120.200 -0.196 0.000 2.153 328 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 328 E C 1.575 178.028 176.600 -0.245 0.000 0.988 328 E CA 0.881 57.157 56.400 -0.207 0.000 0.811 328 E CB 0.204 29.759 29.700 -0.242 0.000 0.746 328 E HN 0.343 nan 8.360 nan 0.000 0.466 329 R N -0.192 120.110 120.500 -0.330 0.000 2.105 329 R HA 0.090 4.430 4.340 -0.000 0.000 0.214 329 R C 2.544 178.719 176.300 -0.208 0.000 1.091 329 R CA 0.967 56.880 56.100 -0.311 0.000 1.007 329 R CB -0.121 29.902 30.300 -0.461 0.000 0.912 329 R HN 0.286 nan 8.270 nan 0.000 0.450 330 I N -1.325 119.126 120.570 -0.198 0.000 3.251 330 I HA 0.109 4.279 4.170 -0.000 0.000 0.277 330 I C -0.282 175.787 176.117 -0.079 0.000 1.268 330 I CA 0.191 61.420 61.300 -0.119 0.000 1.449 330 I CB 0.239 38.181 38.000 -0.096 0.000 1.083 330 I HN -0.092 nan 8.210 nan 0.000 0.464 331 K N 2.281 122.627 120.400 -0.091 0.000 3.192 331 K HA -0.177 4.142 4.320 -0.000 0.000 0.278 331 K C -0.357 176.225 176.600 -0.029 0.000 1.164 331 K CA 1.136 57.386 56.287 -0.061 0.000 0.816 331 K CB -1.873 30.596 32.500 -0.052 0.000 1.256 331 K HN 0.909 nan 8.250 nan 0.000 0.497 332 R N -2.799 117.688 120.500 -0.023 0.000 2.728 332 R HA 0.441 4.781 4.340 -0.000 0.000 0.274 332 R C -3.409 172.903 176.300 0.020 0.000 1.032 332 R CA -1.783 54.325 56.100 0.013 0.000 0.866 332 R CB 0.949 31.274 30.300 0.041 0.000 1.263 332 R HN -0.280 nan 8.270 nan 0.000 0.475 333 P HA 0.182 nan 4.420 nan 0.000 0.276 333 P C -0.575 176.790 177.300 0.108 0.000 1.243 333 P CA -0.114 63.023 63.100 0.061 0.000 0.768 333 P CB 1.197 32.936 31.700 0.065 0.000 0.856 334 A N 3.909 126.788 122.820 0.099 0.000 2.425 334 A HA 0.132 4.452 4.320 -0.000 0.000 0.242 334 A C -0.723 177.017 177.584 0.260 0.000 1.077 334 A CA -0.021 52.115 52.037 0.166 0.000 0.781 334 A CB -0.315 18.757 19.000 0.121 0.000 1.020 334 A HN 0.602 nan 8.150 nan 0.000 0.494 335 Y N 3.202 123.612 120.300 0.184 0.000 2.434 335 Y HA 0.380 4.930 4.550 -0.000 0.000 0.341 335 Y C -0.144 175.867 175.900 0.185 0.000 0.965 335 Y CA -0.981 57.231 58.100 0.186 0.000 1.205 335 Y CB 0.453 39.015 38.460 0.170 0.000 1.121 335 Y HN 0.463 nan 8.280 nan 0.000 0.507 336 I N 6.257 126.946 120.570 0.198 0.000 2.471 336 I HA -0.118 4.052 4.170 -0.000 0.000 0.286 336 I C -0.230 175.915 176.117 0.047 0.000 1.079 336 I CA -0.208 61.158 61.300 0.110 0.000 1.398 336 I CB 0.406 38.350 38.000 -0.094 0.000 1.403 336 I HN 0.722 nan 8.210 nan 0.000 0.530 337 W N 9.108 130.360 121.300 -0.081 0.000 2.298 337 W HA 0.194 4.853 4.660 -0.000 0.000 0.327 337 W C -1.287 175.128 176.519 -0.174 0.000 0.988 337 W CA -1.479 55.768 57.345 -0.163 0.000 1.448 337 W CB 0.962 30.284 29.460 -0.231 0.000 1.243 337 W HN 0.551 nan 8.180 nan 0.000 0.388 338 W N 7.818 129.006 121.300 -0.186 0.000 2.332 338 W HA 0.276 4.936 4.660 0.000 0.000 0.306 338 W C 0.222 176.732 176.519 -0.016 0.000 1.149 338 W CA -0.752 56.490 57.345 -0.170 0.000 1.271 338 W CB 0.571 29.840 29.460 -0.318 0.000 1.243 338 W HN 0.228 nan 8.180 nan 0.000 0.459 339 N N 6.977 125.444 118.700 -0.390 0.000 3.245 339 N HA 0.087 4.827 4.740 -0.000 0.000 0.296 339 N C -1.578 173.550 175.510 -0.637 0.000 1.254 339 N CA 0.220 53.027 53.050 -0.404 0.000 1.190 339 N CB -0.509 37.758 38.487 -0.365 0.000 1.460 339 N HN 0.344 nan 8.380 nan 0.000 0.538 340 F N 1.182 120.575 119.950 -0.929 0.000 2.622 340 F HA 0.328 4.855 4.527 0.000 0.000 0.318 340 F C -2.350 173.157 175.800 -0.488 0.000 1.135 340 F CA -1.659 55.826 58.000 -0.858 0.000 1.015 340 F CB 2.289 40.436 39.000 -1.421 0.000 1.275 340 F HN -0.042 nan 8.300 nan 0.000 0.457 341 P HA 0.045 nan 4.420 nan 0.000 0.256 341 P C 0.204 177.118 177.300 -0.644 0.000 1.384 341 P CA 0.300 62.559 63.100 -1.401 0.000 0.879 341 P CB 0.379 31.380 31.700 -1.165 0.000 1.403 342 V N 1.054 120.729 119.914 -0.399 0.000 2.726 342 V HA -0.085 4.035 4.120 -0.000 0.000 0.304 342 V C 0.941 176.887 176.094 -0.246 0.000 1.115 342 V CA 1.418 63.575 62.300 -0.239 0.000 1.264 342 V CB -0.066 31.715 31.823 -0.069 0.000 0.867 342 V HN 0.141 nan 8.190 nan 0.000 0.498 343 S N 3.340 118.872 115.700 -0.281 0.000 2.749 343 S HA 0.152 4.622 4.470 -0.000 0.000 0.246 343 S C 0.859 175.293 174.600 -0.276 0.000 1.023 343 S CA 0.168 58.164 58.200 -0.341 0.000 1.012 343 S CB 0.024 63.078 63.200 -0.243 0.000 0.942 343 S HN 1.061 nan 8.310 nan 0.000 0.531 344 D N 0.874 121.208 120.400 -0.109 0.000 2.363 344 D HA -0.117 4.523 4.640 -0.000 0.000 0.220 344 D C 1.006 177.359 176.300 0.090 0.000 0.994 344 D CA 0.435 54.450 54.000 0.026 0.000 0.890 344 D CB -0.436 40.459 40.800 0.158 0.000 0.906 344 D HN 0.687 nan 8.370 nan 0.000 0.530 345 Y N -0.777 119.533 120.300 0.017 0.000 2.481 345 Y HA 0.398 4.948 4.550 -0.000 0.000 0.247 345 Y C 0.499 176.422 175.900 0.037 0.000 1.151 345 Y CA -0.639 57.468 58.100 0.012 0.000 1.238 345 Y CB 0.274 38.762 38.460 0.047 0.000 1.179 345 Y HN -0.044 nan 8.280 nan 0.000 0.524 346 V N -1.859 117.869 119.914 -0.309 0.000 2.719 346 V HA 0.466 4.586 4.120 -0.000 0.000 0.330 346 V C 0.693 176.797 176.094 0.018 0.000 1.224 346 V CA -0.749 61.450 62.300 -0.167 0.000 1.314 346 V CB 0.190 31.786 31.823 -0.379 0.000 1.416 346 V HN 0.249 nan 8.190 nan 0.000 0.651 347 R N 1.308 121.859 120.500 0.085 0.000 2.237 347 R HA -0.047 4.292 4.340 -0.000 0.000 0.219 347 R C 1.431 177.915 176.300 0.306 0.000 1.080 347 R CA 1.502 57.695 56.100 0.155 0.000 0.995 347 R CB 0.035 30.433 30.300 0.162 0.000 0.875 347 R HN 0.859 nan 8.270 nan 0.000 0.462 348 D N -0.727 119.856 120.400 0.305 0.000 2.363 348 D HA -0.079 4.561 4.640 -0.000 0.000 0.226 348 D C 0.231 176.783 176.300 0.420 0.000 1.020 348 D CA 0.653 54.850 54.000 0.330 0.000 0.892 348 D CB -0.130 40.760 40.800 0.151 0.000 0.900 348 D HN 0.255 nan 8.370 nan 0.000 0.531 349 H N -0.088 119.140 119.070 0.264 0.000 2.524 349 H HA 0.418 4.974 4.556 0.000 0.000 0.353 349 H C -0.145 175.088 175.328 -0.159 0.000 1.136 349 H CA -0.922 55.201 56.048 0.125 0.000 1.193 349 H CB 2.235 32.013 29.762 0.027 0.000 1.558 349 H HN -0.104 nan 8.280 nan 0.000 0.515 350 L N 3.468 124.486 121.223 -0.342 0.000 2.334 350 L HA 0.297 4.637 4.340 -0.000 0.000 0.277 350 L C -0.055 176.685 176.870 -0.216 0.000 1.075 350 L CA -0.600 53.958 54.840 -0.470 0.000 0.804 350 L CB 1.061 42.647 42.059 -0.788 0.000 1.174 350 L HN 0.355 nan 8.230 nan 0.000 0.438 351 L N 5.531 126.638 121.223 -0.192 0.000 2.387 351 L HA 0.329 4.669 4.340 -0.000 0.000 0.259 351 L C 0.324 177.158 176.870 -0.060 0.000 1.050 351 L CA -0.063 54.717 54.840 -0.100 0.000 0.922 351 L CB 0.764 42.709 42.059 -0.191 0.000 1.280 351 L HN 0.664 nan 8.230 nan 0.000 0.449 352 L N 1.323 122.563 121.223 0.028 0.000 2.808 352 L HA 0.327 4.667 4.340 -0.000 0.000 0.246 352 L C 1.319 178.405 176.870 0.359 0.000 1.153 352 L CA -0.155 54.754 54.840 0.115 0.000 0.956 352 L CB 0.496 42.556 42.059 0.002 0.000 1.270 352 L HN 0.568 nan 8.230 nan 0.000 0.528 353 G N 0.634 109.620 108.800 0.310 0.000 2.588 353 G HA2 0.368 4.328 3.960 -0.000 0.000 0.281 353 G HA3 0.368 4.328 3.960 -0.000 0.000 0.281 353 G C -2.444 172.529 174.900 0.121 0.000 1.236 353 G CA -0.933 44.255 45.100 0.147 0.000 0.969 353 G HN -0.147 nan 8.290 nan 0.000 0.504 354 P HA 0.084 nan 4.420 nan 0.000 0.269 354 P C -0.262 177.066 177.300 0.047 0.000 1.217 354 P CA -0.218 62.705 63.100 -0.295 0.000 0.783 354 P CB 0.732 31.839 31.700 -0.989 0.000 0.898 355 V N 3.925 123.961 119.914 0.202 0.000 2.406 355 V HA 0.307 4.427 4.120 -0.000 0.000 0.272 355 V C -0.003 176.192 176.094 0.168 0.000 1.043 355 V CA 0.392 62.814 62.300 0.203 0.000 0.915 355 V CB -0.841 31.192 31.823 0.349 0.000 0.988 355 V HN 0.629 nan 8.190 nan 0.000 0.466 356 Y N 1.917 122.146 120.300 -0.118 0.000 2.689 356 Y HA 0.818 5.368 4.550 -0.000 0.000 0.333 356 Y C 0.551 176.369 175.900 -0.137 0.000 1.208 356 Y CA -0.416 57.602 58.100 -0.136 0.000 1.055 356 Y CB 1.473 39.822 38.460 -0.186 0.000 1.304 356 Y HN 0.729 nan 8.280 nan 0.000 0.455 357 G N 0.853 109.657 108.800 0.008 0.000 2.253 357 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.209 357 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.209 357 G C -0.807 174.041 174.900 -0.087 0.000 0.997 357 G CA -0.257 44.834 45.100 -0.016 0.000 0.640 357 G HN 0.690 nan 8.290 nan 0.000 0.496 358 N N 1.863 120.400 118.700 -0.272 0.000 2.455 358 N HA 0.345 5.085 4.740 -0.000 0.000 0.280 358 N C -0.909 174.539 175.510 -0.103 0.000 1.055 358 N CA -0.398 52.465 53.050 -0.312 0.000 0.961 358 N CB 1.562 39.572 38.487 -0.796 0.000 1.121 358 N HN 0.304 nan 8.380 nan 0.000 0.476 359 D N 0.980 121.393 120.400 0.021 0.000 2.493 359 D HA -0.050 4.590 4.640 -0.000 0.000 0.240 359 D C 0.855 177.248 176.300 0.156 0.000 1.142 359 D CA 0.414 54.464 54.000 0.083 0.000 0.872 359 D CB 0.819 41.664 40.800 0.076 0.000 1.173 359 D HN 0.549 nan 8.370 nan 0.000 0.467 360 T N -0.584 114.057 114.554 0.145 0.000 3.107 360 T HA -0.028 4.322 4.350 -0.000 0.000 0.249 360 T C 1.336 176.048 174.700 0.020 0.000 1.096 360 T CA 0.573 62.752 62.100 0.130 0.000 1.012 360 T CB -0.173 68.791 68.868 0.160 0.000 0.977 360 T HN 0.404 nan 8.240 nan 0.000 0.527 361 T N -0.186 114.383 114.554 0.025 0.000 3.092 361 T HA 0.323 4.673 4.350 -0.000 0.000 0.258 361 T C 1.211 175.906 174.700 -0.008 0.000 1.031 361 T CA -0.464 61.637 62.100 0.001 0.000 0.925 361 T CB -0.719 68.159 68.868 0.017 0.000 1.036 361 T HN 0.678 nan 8.240 nan 0.000 0.544 362 I N -1.929 118.637 120.570 -0.006 0.000 3.877 362 I HA 0.710 4.880 4.170 -0.000 0.000 0.332 362 I C 1.972 178.076 176.117 -0.021 0.000 1.525 362 I CA -0.767 60.537 61.300 0.007 0.000 1.146 362 I CB -0.209 37.822 38.000 0.052 0.000 1.137 362 I HN 0.071 nan 8.210 nan 0.000 0.424 363 A N 2.340 125.112 122.820 -0.080 0.000 1.917 363 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 363 A C 2.327 179.873 177.584 -0.065 0.000 1.182 363 A CA 1.765 53.734 52.037 -0.114 0.000 0.633 363 A CB -0.443 18.452 19.000 -0.175 0.000 0.819 363 A HN 0.527 nan 8.150 nan 0.000 0.448 364 K N -0.249 120.124 120.400 -0.045 0.000 2.281 364 K HA -0.089 4.231 4.320 -0.000 0.000 0.203 364 K C 0.306 176.904 176.600 -0.004 0.000 1.046 364 K CA 0.838 57.110 56.287 -0.025 0.000 0.938 364 K CB -0.024 32.465 32.500 -0.018 0.000 0.737 364 K HN 0.530 nan 8.250 nan 0.000 0.458 368 G N 0.639 109.305 108.800 -0.224 0.000 2.677 368 G HA2 0.658 4.618 3.960 -0.000 0.000 0.291 368 G HA3 0.658 4.618 3.960 -0.000 0.000 0.291 368 G C -2.336 172.418 174.900 -0.243 0.000 1.435 368 G CA -0.552 44.245 45.100 -0.505 0.000 0.826 368 G HN 0.180 nan 8.290 nan 0.000 0.491 369 F N 1.470 121.272 119.950 -0.246 0.000 2.617 369 F HA 0.592 5.119 4.527 -0.000 0.000 0.325 369 F C -0.362 175.440 175.800 0.003 0.000 1.179 369 F CA -0.763 57.207 58.000 -0.050 0.000 0.965 369 F CB 1.992 40.999 39.000 0.011 0.000 1.232 369 F HN 0.569 nan 8.300 nan 0.000 0.461 370 V N 2.112 121.937 119.914 -0.149 0.000 2.823 370 V HA 0.723 4.843 4.120 -0.000 0.000 0.312 370 V C -0.614 175.418 176.094 -0.104 0.000 1.072 370 V CA -0.631 61.648 62.300 -0.034 0.000 0.937 370 V CB 1.375 33.166 31.823 -0.054 0.000 1.013 370 V HN 0.766 nan 8.190 nan 0.000 0.430 371 T N 2.546 117.130 114.554 0.049 0.000 2.767 371 T HA 0.369 4.719 4.350 -0.000 0.000 0.288 371 T C -0.178 174.444 174.700 -0.129 0.000 0.963 371 T CA -0.274 61.882 62.100 0.095 0.000 1.019 371 T CB 0.464 69.517 68.868 0.309 0.000 0.923 371 T HN 0.967 nan 8.240 nan 0.000 0.468 372 N N 6.554 125.123 118.700 -0.218 0.000 2.406 372 N HA 0.408 5.147 4.740 -0.000 0.000 0.251 372 N C -2.328 173.117 175.510 -0.107 0.000 1.069 372 N CA -1.839 51.073 53.050 -0.231 0.000 0.947 372 N CB 1.020 39.405 38.487 -0.170 0.000 1.111 372 N HN 0.431 nan 8.380 nan 0.000 0.497 376 H N 1.526 120.569 119.070 -0.045 0.000 3.004 376 H HA 0.484 5.040 4.556 -0.000 0.000 0.267 376 H C 0.904 176.173 175.328 -0.099 0.000 1.165 376 H CA 0.601 56.611 56.048 -0.063 0.000 1.450 376 H CB 1.409 31.074 29.762 -0.161 0.000 1.488 376 H HN 0.377 nan 8.280 nan 0.000 0.478 377 A N 3.784 126.473 122.820 -0.218 0.000 1.855 377 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 377 A C 2.129 179.435 177.584 -0.463 0.000 1.191 377 A CA 0.815 52.423 52.037 -0.714 0.000 0.613 377 A CB 0.083 18.195 19.000 -1.480 0.000 0.829 377 A HN 0.529 nan 8.150 nan 0.000 0.442 378 E N 0.442 120.423 120.200 -0.364 0.000 2.110 378 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 378 E C 2.293 178.747 176.600 -0.244 0.000 0.988 378 E CA 1.305 57.509 56.400 -0.326 0.000 0.804 378 E CB -0.470 29.068 29.700 -0.270 0.000 0.745 378 E HN 0.542 nan 8.360 nan 0.000 0.458 379 S N 1.099 116.698 115.700 -0.168 0.000 2.399 379 S HA -0.089 4.381 4.470 -0.000 0.000 0.231 379 S C 2.097 176.639 174.600 -0.097 0.000 1.022 379 S CA 0.899 59.021 58.200 -0.130 0.000 0.983 379 S CB -0.095 63.027 63.200 -0.131 0.000 0.803 379 S HN 0.157 nan 8.310 nan 0.000 0.480 380 S N 1.299 116.954 115.700 -0.075 0.000 2.474 380 S HA -0.009 4.461 4.470 -0.000 0.000 0.235 380 S C 1.643 176.267 174.600 0.040 0.000 0.997 380 S CA 0.684 58.882 58.200 -0.004 0.000 0.949 380 S CB -0.119 63.145 63.200 0.107 0.000 0.766 380 S HN 0.488 nan 8.310 nan 0.000 0.517 381 K N 1.029 121.382 120.400 -0.079 0.000 2.152 381 K HA -0.042 4.278 4.320 -0.000 0.000 0.206 381 K C 1.750 178.442 176.600 0.153 0.000 1.048 381 K CA 1.051 57.284 56.287 -0.090 0.000 0.933 381 K CB -0.351 31.782 32.500 -0.612 0.000 0.721 381 K HN 0.375 nan 8.250 nan 0.000 0.447 382 I N 0.916 121.534 120.570 0.079 0.000 2.127 382 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 382 I C 2.514 178.825 176.117 0.323 0.000 1.075 382 I CA 1.437 62.820 61.300 0.137 0.000 1.334 382 I CB -0.380 37.672 38.000 0.087 0.000 1.040 382 I HN 0.157 nan 8.210 nan 0.000 0.405 383 A N 0.760 123.773 122.820 0.323 0.000 1.897 383 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 383 A C 2.296 180.143 177.584 0.438 0.000 1.181 383 A CA 1.241 53.535 52.037 0.429 0.000 0.620 383 A CB -0.778 18.427 19.000 0.341 0.000 0.821 383 A HN 0.356 nan 8.150 nan 0.000 0.443 384 I N -1.862 118.952 120.570 0.406 0.000 2.163 384 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 384 I C 2.477 178.874 176.117 0.468 0.000 1.085 384 I CA 2.059 63.626 61.300 0.445 0.000 1.347 384 I CB -0.489 37.822 38.000 0.518 0.000 1.044 384 I HN 0.550 nan 8.210 nan 0.000 0.408 385 Y N 1.328 121.877 120.300 0.414 0.000 2.165 385 Y HA -0.306 4.244 4.550 -0.000 0.000 0.286 385 Y C 2.768 178.791 175.900 0.205 0.000 1.155 385 Y CA 2.034 60.287 58.100 0.255 0.000 1.164 385 Y CB -0.076 38.576 38.460 0.320 0.000 0.978 385 Y HN 0.069 nan 8.280 nan 0.000 0.513 386 S N -0.678 115.342 115.700 0.534 0.000 2.355 386 S HA -0.179 4.291 4.470 -0.000 0.000 0.222 386 S C 2.045 176.786 174.600 0.234 0.000 1.031 386 S CA 1.343 59.822 58.200 0.464 0.000 0.993 386 S CB -0.636 62.875 63.200 0.519 0.000 0.859 386 S HN 0.327 nan 8.310 nan 0.000 0.453 387 V N 2.272 122.322 119.914 0.227 0.000 2.332 387 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 387 V C 2.661 178.798 176.094 0.071 0.000 1.055 387 V CA 1.678 64.058 62.300 0.133 0.000 1.038 387 V CB -1.295 30.736 31.823 0.347 0.000 0.651 387 V HN 0.536 nan 8.190 nan 0.000 0.450 388 A N -0.536 122.329 122.820 0.075 0.000 1.917 388 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 388 A C 2.577 180.129 177.584 -0.053 0.000 1.182 388 A CA 2.534 54.561 52.037 -0.017 0.000 0.633 388 A CB -0.833 18.099 19.000 -0.113 0.000 0.819 388 A HN 0.510 nan 8.150 nan 0.000 0.448 389 S N -2.117 113.555 115.700 -0.047 0.000 2.355 389 S HA -0.178 4.292 4.470 -0.000 0.000 0.222 389 S C 1.920 176.552 174.600 0.053 0.000 1.031 389 S CA 1.524 59.731 58.200 0.013 0.000 0.993 389 S CB -0.573 62.707 63.200 0.133 0.000 0.859 389 S HN 0.672 nan 8.310 nan 0.000 0.453 390 Y N 2.140 122.269 120.300 -0.284 0.000 2.097 390 Y HA -0.084 4.466 4.550 -0.000 0.000 0.282 390 Y C 2.392 178.062 175.900 -0.383 0.000 1.152 390 Y CA 1.640 59.382 58.100 -0.596 0.000 1.136 390 Y CB -1.017 36.749 38.460 -1.157 0.000 0.975 390 Y HN 0.300 nan 8.280 nan 0.000 0.498 391 A N 0.303 122.868 122.820 -0.426 0.000 1.968 391 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 391 A C 2.246 179.681 177.584 -0.248 0.000 1.169 391 A CA 1.182 52.949 52.037 -0.451 0.000 0.638 391 A CB -1.490 17.405 19.000 -0.174 0.000 0.812 391 A HN 0.852 nan 8.150 nan 0.000 0.446 392 W N 0.252 121.381 121.300 -0.286 0.000 2.407 392 W HA -0.008 4.652 4.660 -0.000 0.000 0.305 392 W C 0.029 176.390 176.519 -0.262 0.000 1.196 392 W CA 1.548 58.749 57.345 -0.241 0.000 1.311 392 W CB 0.039 29.369 29.460 -0.217 0.000 1.135 392 W HN 0.382 nan 8.180 nan 0.000 0.514 393 N N 0.144 118.842 118.700 -0.004 0.000 2.752 393 N HA 0.152 4.892 4.740 -0.000 0.000 0.260 393 N C -2.020 173.428 175.510 -0.104 0.000 1.562 393 N CA -1.669 51.337 53.050 -0.073 0.000 0.788 393 N CB 0.685 39.220 38.487 0.080 0.000 1.192 393 N HN -0.163 nan 8.380 nan 0.000 0.503 394 P HA -0.105 nan 4.420 nan 0.000 0.216 394 P C 1.126 178.401 177.300 -0.040 0.000 1.150 394 P CA 0.971 63.898 63.100 -0.289 0.000 0.837 394 P CB 0.289 31.641 31.700 -0.581 0.000 0.786 395 A N 0.146 122.928 122.820 -0.063 0.000 1.978 395 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 395 A C 1.891 179.491 177.584 0.025 0.000 1.170 395 A CA 1.666 53.695 52.037 -0.014 0.000 0.636 395 A CB -0.786 18.191 19.000 -0.039 0.000 0.810 395 A HN 0.039 nan 8.150 nan 0.000 0.448 396 K N -1.018 119.401 120.400 0.032 0.000 2.410 396 K HA 0.164 4.484 4.320 -0.000 0.000 0.200 396 K C -0.406 176.250 176.600 0.094 0.000 1.023 396 K CA -0.520 55.795 56.287 0.046 0.000 1.149 396 K CB -0.666 31.850 32.500 0.026 0.000 0.859 396 K HN 0.552 nan 8.250 nan 0.000 0.514 397 Y N 2.249 122.564 120.300 0.025 0.000 2.496 397 Y HA 0.069 4.618 4.550 -0.000 0.000 0.334 397 Y C -0.311 175.629 175.900 0.068 0.000 1.080 397 Y CA -0.799 57.340 58.100 0.065 0.000 1.355 397 Y CB 0.410 38.953 38.460 0.139 0.000 1.193 397 Y HN -0.037 nan 8.280 nan 0.000 0.523 398 D N 4.973 125.037 120.400 -0.560 0.000 2.460 398 D HA 0.160 4.800 4.640 -0.000 0.000 0.232 398 D C 0.638 176.531 176.300 -0.679 0.000 1.079 398 D CA -0.145 53.586 54.000 -0.449 0.000 0.864 398 D CB 1.342 42.054 40.800 -0.147 0.000 1.048 398 D HN 0.795 nan 8.370 nan 0.000 0.523 399 T N 2.282 116.405 114.554 -0.718 0.000 2.597 399 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 399 T C 1.492 176.036 174.700 -0.259 0.000 1.053 399 T CA 1.446 63.229 62.100 -0.528 0.000 1.165 399 T CB -0.277 68.343 68.868 -0.413 0.000 0.863 399 T HN 0.555 nan 8.240 nan 0.000 0.427 400 W N 0.830 122.090 121.300 -0.066 0.000 2.443 400 W HA 0.052 4.712 4.660 -0.000 0.000 0.296 400 W C 2.870 179.483 176.519 0.156 0.000 1.202 400 W CA 0.227 57.602 57.345 0.049 0.000 1.312 400 W CB -0.302 29.147 29.460 -0.017 0.000 1.120 400 W HN 0.171 nan 8.180 nan 0.000 0.536 401 Q N 0.037 120.000 119.800 0.271 0.000 2.119 401 Q HA -0.125 4.214 4.340 -0.000 0.000 0.201 401 Q C 1.941 178.066 176.000 0.208 0.000 0.972 401 Q CA 2.334 58.262 55.803 0.208 0.000 0.847 401 Q CB -0.683 28.125 28.738 0.117 0.000 0.903 401 Q HN 0.073 nan 8.270 nan 0.000 0.433 402 T N -0.477 114.189 114.554 0.186 0.000 2.746 402 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 402 T C 0.989 175.898 174.700 0.348 0.000 1.039 402 T CA 1.204 63.475 62.100 0.285 0.000 1.142 402 T CB -0.588 68.447 68.868 0.278 0.000 0.866 402 T HN 0.546 nan 8.240 nan 0.000 0.444 403 W N 2.357 123.735 121.300 0.130 0.000 2.317 403 W HA -0.158 4.502 4.660 -0.000 0.000 0.318 403 W C 2.125 178.690 176.519 0.076 0.000 1.227 403 W CA 1.264 58.671 57.345 0.102 0.000 1.269 403 W CB -0.228 29.264 29.460 0.053 0.000 1.155 403 W HN 0.139 nan 8.180 nan 0.000 0.484 404 K N -0.263 120.248 120.400 0.185 0.000 2.026 404 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 404 K C 1.638 178.164 176.600 -0.123 0.000 1.048 404 K CA 1.831 58.081 56.287 -0.060 0.000 0.929 404 K CB -0.563 32.010 32.500 0.121 0.000 0.713 404 K HN 0.063 nan 8.250 nan 0.000 0.439 405 D N 0.793 121.182 120.400 -0.018 0.000 2.123 405 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 405 D C 1.877 177.962 176.300 -0.359 0.000 0.992 405 D CA 1.497 55.467 54.000 -0.051 0.000 0.833 405 D CB -0.321 40.578 40.800 0.165 0.000 0.954 405 D HN 0.232 nan 8.370 nan 0.000 0.455 406 A N 0.892 123.346 122.820 -0.610 0.000 1.865 406 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 406 A C 2.438 179.700 177.584 -0.537 0.000 1.191 406 A CA 1.194 52.613 52.037 -1.029 0.000 0.623 406 A CB -0.874 17.806 19.000 -0.534 0.000 0.826 406 A HN 0.210 nan 8.150 nan 0.000 0.444 407 I N -1.024 119.281 120.570 -0.442 0.000 2.208 407 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 407 I C 2.696 178.655 176.117 -0.264 0.000 1.097 407 I CA 1.935 63.010 61.300 -0.375 0.000 1.363 407 I CB -0.221 37.468 38.000 -0.518 0.000 1.051 407 I HN 0.359 nan 8.210 nan 0.000 0.413 408 R N 0.579 120.939 120.500 -0.234 0.000 2.148 408 R HA -0.097 4.243 4.340 -0.000 0.000 0.223 408 R C 2.018 178.244 176.300 -0.124 0.000 1.088 408 R CA 1.708 57.718 56.100 -0.150 0.000 0.985 408 R CB -0.527 29.706 30.300 -0.111 0.000 0.880 408 R HN 0.203 nan 8.270 nan 0.000 0.451 409 T N 0.267 114.727 114.554 -0.155 0.000 2.851 409 T HA 0.049 4.399 4.350 -0.000 0.000 0.262 409 T C 1.687 176.359 174.700 -0.047 0.000 1.043 409 T CA 1.440 63.495 62.100 -0.076 0.000 1.140 409 T CB -0.068 68.763 68.868 -0.063 0.000 0.872 409 T HN 0.145 nan 8.240 nan 0.000 0.446 410 I N -0.130 120.377 120.570 -0.105 0.000 2.353 410 I HA 0.052 4.222 4.170 -0.000 0.000 0.248 410 I C 0.517 176.563 176.117 -0.119 0.000 1.119 410 I CA 0.829 62.062 61.300 -0.112 0.000 1.417 410 I CB 0.272 38.166 38.000 -0.176 0.000 1.078 410 I HN 0.101 nan 8.210 nan 0.000 0.421 411 L N 1.444 122.592 121.223 -0.126 0.000 2.475 411 L HA 0.339 4.679 4.340 -0.000 0.000 0.253 411 L C -1.905 174.908 176.870 -0.097 0.000 1.483 411 L CA -1.357 53.416 54.840 -0.111 0.000 0.869 411 L CB 0.721 42.706 42.059 -0.124 0.000 1.086 411 L HN -0.201 nan 8.230 nan 0.000 0.514 412 P HA -0.150 nan 4.420 nan 0.000 0.219 412 P C 1.304 178.568 177.300 -0.060 0.000 1.146 412 P CA 1.453 64.513 63.100 -0.067 0.000 0.808 412 P CB 0.194 31.862 31.700 -0.053 0.000 0.779 413 S N -1.020 114.645 115.700 -0.060 0.000 2.489 413 S HA 0.208 4.678 4.470 -0.000 0.000 0.228 413 S C 1.466 176.034 174.600 -0.053 0.000 0.995 413 S CA 0.586 58.755 58.200 -0.052 0.000 0.934 413 S CB -0.490 62.679 63.200 -0.050 0.000 0.771 413 S HN 0.156 nan 8.310 nan 0.000 0.522 414 A N -0.063 122.718 122.820 -0.065 0.000 2.843 414 A HA 0.864 5.184 4.320 -0.000 0.000 0.248 414 A C 1.237 178.776 177.584 -0.074 0.000 0.904 414 A CA 0.079 52.078 52.037 -0.064 0.000 1.091 414 A CB -0.303 18.653 19.000 -0.073 0.000 1.208 414 A HN 0.461 nan 8.150 nan 0.000 0.476 415 A N 0.437 123.211 122.820 -0.077 0.000 1.877 415 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 415 A C 1.696 179.227 177.584 -0.089 0.000 1.186 415 A CA 1.938 53.915 52.037 -0.101 0.000 0.620 415 A CB -0.306 18.635 19.000 -0.099 0.000 0.822 415 A HN 0.587 nan 8.150 nan 0.000 0.443 416 E N -0.393 119.778 120.200 -0.049 0.000 2.106 416 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 416 E C 1.980 178.583 176.600 0.005 0.000 0.984 416 E CA 1.377 57.767 56.400 -0.016 0.000 0.806 416 E CB -0.109 29.596 29.700 0.009 0.000 0.750 416 E HN 0.651 nan 8.360 nan 0.000 0.458 417 E N 0.432 120.628 120.200 -0.006 0.000 2.072 417 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 417 E C 1.823 178.428 176.600 0.008 0.000 0.985 417 E CA 0.488 56.894 56.400 0.010 0.000 0.801 417 E CB -0.145 29.543 29.700 -0.020 0.000 0.750 417 E HN 0.098 nan 8.360 nan 0.000 0.452 418 L N 1.239 122.436 121.223 -0.043 0.000 2.093 418 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 418 L C 1.798 178.654 176.870 -0.023 0.000 1.085 418 L CA 1.802 56.619 54.840 -0.040 0.000 0.755 418 L CB -0.328 41.667 42.059 -0.107 0.000 0.904 418 L HN 0.095 nan 8.230 nan 0.000 0.435 419 E N -1.161 118.984 120.200 -0.091 0.000 2.058 419 E HA -0.314 4.036 4.350 -0.000 0.000 0.194 419 E C 2.346 179.031 176.600 0.140 0.000 0.997 419 E CA 1.697 58.051 56.400 -0.078 0.000 0.801 419 E CB -0.482 29.172 29.700 -0.077 0.000 0.746 419 E HN 0.723 nan 8.360 nan 0.000 0.450 420 C N 0.433 119.819 119.300 0.144 0.000 2.413 420 C HA -0.200 4.260 4.460 -0.000 0.000 0.277 420 C C 2.504 177.676 174.990 0.304 0.000 1.228 420 C CA 0.923 60.085 59.018 0.239 0.000 1.731 420 C CB -1.249 26.646 27.740 0.260 0.000 2.042 420 C HN 0.488 nan 8.230 nan 0.000 0.468 421 F N 2.538 122.471 119.950 -0.027 0.000 2.095 421 F HA 0.141 4.668 4.527 0.000 0.000 0.298 421 F C 1.677 177.400 175.800 -0.129 0.000 1.104 421 F CA 1.081 58.858 58.000 -0.371 0.000 1.232 421 F CB -1.088 37.610 39.000 -0.505 0.000 0.987 421 F HN 0.377 nan 8.300 nan 0.000 0.475 425 N N 1.242 119.915 118.700 -0.044 0.000 2.752 425 N HA 0.145 4.885 4.740 -0.000 0.000 0.260 425 N C 0.476 175.951 175.510 -0.059 0.000 1.562 425 N CA 0.419 53.383 53.050 -0.143 0.000 0.788 425 N CB 1.511 39.666 38.487 -0.553 0.000 1.192 425 N HN 0.262 nan 8.380 nan 0.000 0.503 426 S N -1.950 113.777 115.700 0.045 0.000 2.691 426 S HA 0.098 4.568 4.470 -0.000 0.000 0.258 426 S C 0.247 174.913 174.600 0.109 0.000 1.078 426 S CA -0.147 58.105 58.200 0.086 0.000 1.000 426 S CB 0.906 64.149 63.200 0.072 0.000 0.942 426 S HN 0.197 nan 8.310 nan 0.000 0.521 427 D N 0.762 121.224 120.400 0.104 0.000 2.294 427 D HA 0.526 5.166 4.640 -0.000 0.000 0.250 427 D C 0.536 176.850 176.300 0.024 0.000 1.058 427 D CA -0.553 53.490 54.000 0.073 0.000 0.950 427 D CB 1.163 42.010 40.800 0.078 0.000 1.158 427 D HN 0.037 nan 8.370 nan 0.000 0.453 428 L N 1.560 122.730 121.223 -0.089 0.000 2.554 428 L HA 0.369 4.708 4.340 -0.000 0.000 0.225 428 L C 1.451 177.958 176.870 -0.605 0.000 1.104 428 L CA 0.608 55.252 54.840 -0.328 0.000 0.866 428 L CB -0.913 41.076 42.059 -0.118 0.000 1.047 428 L HN 0.734 nan 8.230 nan 0.000 0.468 429 G N 0.208 108.861 108.800 -0.246 0.000 2.894 429 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.247 429 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.247 429 G C -2.563 172.313 174.900 -0.041 0.000 1.442 429 G CA -0.759 44.290 45.100 -0.085 0.000 0.897 429 G HN 0.078 nan 8.290 nan 0.000 0.550 430 P HA 0.330 nan 4.420 nan 0.000 0.271 430 P C -0.088 177.241 177.300 0.049 0.000 1.216 430 P CA 0.028 63.153 63.100 0.041 0.000 0.776 430 P CB 0.724 32.454 31.700 0.050 0.000 0.881 431 N N -0.825 117.921 118.700 0.077 0.000 2.825 431 N HA 0.438 5.178 4.740 -0.000 0.000 0.253 431 N C 0.983 176.530 175.510 0.062 0.000 1.426 431 N CA -1.029 52.081 53.050 0.101 0.000 0.851 431 N CB -0.061 38.558 38.487 0.219 0.000 1.470 431 N HN 0.178 nan 8.380 nan 0.000 0.517 432 G N -1.436 107.356 108.800 -0.013 0.000 2.471 432 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.219 432 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.219 432 G C 0.424 175.230 174.900 -0.158 0.000 1.125 432 G CA 0.664 45.693 45.100 -0.118 0.000 0.775 432 G HN 0.655 nan 8.290 nan 0.000 0.548 433 H N 0.002 119.061 119.070 -0.018 0.000 2.548 433 H HA 0.160 4.716 4.556 -0.000 0.000 0.265 433 H C 2.272 177.610 175.328 0.016 0.000 0.969 433 H CA 0.246 56.243 56.048 -0.086 0.000 1.155 433 H CB 0.129 29.701 29.762 -0.316 0.000 1.394 433 H HN 0.375 nan 8.280 nan 0.000 0.570 434 G N 0.825 109.725 108.800 0.166 0.000 2.168 434 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.257 434 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.257 434 G C -0.124 174.886 174.900 0.184 0.000 0.997 434 G CA 0.522 45.706 45.100 0.140 0.000 0.708 434 G HN 0.501 nan 8.290 nan 0.000 0.520 435 Y N 1.446 121.805 120.300 0.098 0.000 2.320 435 Y HA 0.721 5.270 4.550 -0.000 0.000 0.334 435 Y C 0.480 176.425 175.900 0.076 0.000 1.055 435 Y CA -1.084 57.063 58.100 0.078 0.000 1.143 435 Y CB 0.737 39.253 38.460 0.093 0.000 1.193 435 Y HN 0.183 nan 8.280 nan 0.000 0.477 436 R N 4.884 125.185 120.500 -0.331 0.000 2.808 436 R HA 0.591 4.931 4.340 -0.000 0.000 0.272 436 R C -1.080 174.990 176.300 -0.384 0.000 0.995 436 R CA -1.129 54.836 56.100 -0.224 0.000 0.917 436 R CB 2.116 32.361 30.300 -0.092 0.000 1.217 436 R HN 0.693 nan 8.270 nan 0.000 0.471 437 R N 0.833 121.230 120.500 -0.171 0.000 2.795 437 R HA 0.258 4.598 4.340 -0.000 0.000 0.275 437 R C -0.193 176.130 176.300 0.039 0.000 0.981 437 R CA -0.891 55.163 56.100 -0.077 0.000 0.917 437 R CB 2.084 32.365 30.300 -0.031 0.000 1.202 437 R HN 0.778 nan 8.270 nan 0.000 0.469 438 E N 0.939 121.205 120.200 0.110 0.000 2.392 438 E HA 0.224 4.574 4.350 -0.000 0.000 0.259 438 E C -0.783 175.853 176.600 0.060 0.000 1.108 438 E CA -0.349 56.087 56.400 0.060 0.000 0.916 438 E CB 1.260 30.971 29.700 0.018 0.000 0.989 438 E HN 0.527 nan 8.360 nan 0.000 0.432 439 E N 1.585 121.826 120.200 0.067 0.000 2.381 439 E HA 0.252 4.602 4.350 -0.000 0.000 0.286 439 E C -1.388 175.278 176.600 0.111 0.000 0.960 439 E CA -0.482 55.971 56.400 0.088 0.000 0.793 439 E CB 1.467 31.235 29.700 0.113 0.000 1.225 439 E HN 0.738 nan 8.360 nan 0.000 0.420 443 I N -0.276 120.317 120.570 0.038 0.000 3.428 443 I HA 0.122 4.292 4.170 -0.000 0.000 0.286 443 I C 2.101 178.226 176.117 0.014 0.000 1.287 443 I CA 0.684 61.994 61.300 0.016 0.000 1.396 443 I CB 0.057 38.058 38.000 0.001 0.000 1.062 443 I HN -0.107 nan 8.210 nan 0.000 0.471 444 Q N 2.163 121.983 119.800 0.032 0.000 2.077 444 Q HA -0.165 4.175 4.340 -0.000 0.000 0.206 444 Q C -0.358 175.667 176.000 0.042 0.000 0.989 444 Q CA 2.600 58.427 55.803 0.040 0.000 0.853 444 Q CB -1.058 27.705 28.738 0.042 0.000 0.907 444 Q HN 0.433 nan 8.270 nan 0.000 0.418 445 P HA -0.028 nan 4.420 nan 0.000 0.217 445 P C 0.948 178.285 177.300 0.062 0.000 1.154 445 P CA 1.882 65.008 63.100 0.044 0.000 0.841 445 P CB -0.371 31.347 31.700 0.030 0.000 0.788 446 A N 0.395 123.243 122.820 0.047 0.000 1.917 446 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 446 A C 2.350 179.988 177.584 0.090 0.000 1.182 446 A CA 2.387 54.459 52.037 0.059 0.000 0.633 446 A CB -1.675 17.329 19.000 0.007 0.000 0.819 446 A HN 0.204 nan 8.150 nan 0.000 0.448 447 A N -0.671 122.181 122.820 0.053 0.000 1.902 447 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 447 A C 2.028 179.709 177.584 0.162 0.000 1.181 447 A CA 1.833 53.922 52.037 0.086 0.000 0.623 447 A CB -0.512 18.515 19.000 0.044 0.000 0.818 447 A HN 0.653 nan 8.150 nan 0.000 0.443 448 E N -0.692 119.582 120.200 0.123 0.000 2.150 448 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 448 E C 2.306 178.990 176.600 0.141 0.000 0.985 448 E CA 0.684 57.156 56.400 0.121 0.000 0.814 448 E CB -0.020 29.733 29.700 0.088 0.000 0.752 448 E HN 0.542 nan 8.360 nan 0.000 0.466 449 R N -0.474 120.118 120.500 0.154 0.000 2.062 449 R HA -0.089 4.251 4.340 -0.000 0.000 0.229 449 R C 2.301 178.732 176.300 0.217 0.000 1.128 449 R CA 1.169 57.367 56.100 0.165 0.000 0.960 449 R CB -0.454 29.941 30.300 0.158 0.000 0.855 449 R HN 0.222 nan 8.270 nan 0.000 0.432 450 F N 1.457 121.476 119.950 0.114 0.000 2.120 450 F HA -0.255 4.272 4.527 -0.000 0.000 0.300 450 F C 1.924 177.832 175.800 0.181 0.000 1.095 450 F CA 1.395 59.471 58.000 0.126 0.000 1.249 450 F CB -0.162 38.844 39.000 0.010 0.000 0.995 450 F HN -0.032 nan 8.300 nan 0.000 0.480 451 L N 0.351 121.677 121.223 0.172 0.000 2.270 451 L HA -0.005 4.335 4.340 -0.000 0.000 0.210 451 L C 2.229 179.174 176.870 0.126 0.000 1.104 451 L CA 1.451 56.367 54.840 0.128 0.000 0.804 451 L CB -1.007 41.180 42.059 0.214 0.000 0.937 451 L HN 0.068 nan 8.230 nan 0.000 0.450 452 K N -0.810 119.660 120.400 0.117 0.000 1.984 452 K HA -0.116 4.204 4.320 -0.000 0.000 0.209 452 K C 2.020 178.677 176.600 0.095 0.000 1.046 452 K CA 1.262 57.609 56.287 0.100 0.000 0.934 452 K CB -0.246 32.308 32.500 0.089 0.000 0.717 452 K HN 0.373 nan 8.250 nan 0.000 0.438 453 A N 1.604 124.484 122.820 0.101 0.000 1.859 453 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 453 A C 2.010 179.665 177.584 0.120 0.000 1.242 453 A CA 2.099 54.201 52.037 0.108 0.000 0.661 453 A CB -1.292 17.803 19.000 0.158 0.000 0.842 453 A HN 0.433 nan 8.150 nan 0.000 0.455 454 F N 0.840 120.749 119.950 -0.068 0.000 2.045 454 F HA -0.270 4.257 4.527 -0.000 0.000 0.297 454 F C 2.305 178.183 175.800 0.131 0.000 1.114 454 F CA 2.518 60.498 58.000 -0.033 0.000 1.207 454 F CB -0.358 38.429 39.000 -0.355 0.000 0.964 454 F HN 0.211 nan 8.300 nan 0.000 0.486 455 K N 0.141 120.612 120.400 0.119 0.000 1.971 455 K HA -0.278 4.042 4.320 -0.000 0.000 0.221 455 K C 2.127 178.778 176.600 0.086 0.000 1.050 455 K CA 2.245 58.579 56.287 0.077 0.000 0.967 455 K CB -0.786 31.778 32.500 0.107 0.000 0.733 455 K HN 0.579 nan 8.250 nan 0.000 0.445 456 E N -0.449 119.787 120.200 0.061 0.000 2.171 456 E HA -0.193 4.157 4.350 -0.000 0.000 0.197 456 E C 1.201 177.797 176.600 -0.006 0.000 0.997 456 E CA 1.448 57.870 56.400 0.036 0.000 0.810 456 E CB -0.056 29.664 29.700 0.032 0.000 0.738 456 E HN 0.544 nan 8.360 nan 0.000 0.467 457 G N 0.898 109.677 108.800 -0.035 0.000 2.296 457 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.188 457 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.188 457 G C 0.160 175.010 174.900 -0.085 0.000 1.000 457 G CA -0.088 44.942 45.100 -0.116 0.000 0.672 457 G HN 0.277 nan 8.290 nan 0.000 0.483 458 K N 2.146 122.526 120.400 -0.033 0.000 2.382 458 K HA 0.395 4.715 4.320 -0.000 0.000 0.275 458 K C 0.973 177.575 176.600 0.002 0.000 1.009 458 K CA 0.155 56.432 56.287 -0.016 0.000 0.970 458 K CB 0.071 32.576 32.500 0.009 0.000 0.934 458 K HN 0.664 nan 8.250 nan 0.000 0.479 459 N N 1.772 120.455 118.700 -0.027 0.000 2.463 459 N HA 0.226 4.965 4.740 -0.000 0.000 0.270 459 N C -0.737 174.762 175.510 -0.018 0.000 1.205 459 N CA -0.897 52.112 53.050 -0.068 0.000 0.974 459 N CB 0.488 38.860 38.487 -0.190 0.000 1.197 459 N HN 0.472 nan 8.380 nan 0.000 0.504 460 Y N -1.963 118.388 120.300 0.085 0.000 2.488 460 Y HA 0.426 4.976 4.550 -0.000 0.000 0.325 460 Y C -0.315 175.672 175.900 0.146 0.000 1.204 460 Y CA -1.600 56.579 58.100 0.131 0.000 1.229 460 Y CB 0.475 39.046 38.460 0.186 0.000 1.274 460 Y HN 0.401 nan 8.280 nan 0.000 0.493 461 D N 1.262 121.903 120.400 0.401 0.000 2.312 461 D HA 0.131 4.770 4.640 -0.000 0.000 0.252 461 D C 0.596 177.127 176.300 0.385 0.000 1.150 461 D CA -0.146 54.021 54.000 0.277 0.000 0.870 461 D CB 1.486 42.406 40.800 0.200 0.000 1.153 461 D HN 0.734 nan 8.370 nan 0.000 0.457 462 K N 2.417 122.971 120.400 0.256 0.000 2.107 462 K HA -0.266 4.054 4.320 -0.000 0.000 0.211 462 K C 1.786 178.543 176.600 0.262 0.000 1.049 462 K CA 1.842 58.285 56.287 0.261 0.000 0.927 462 K CB -0.031 32.552 32.500 0.137 0.000 0.714 462 K HN 0.539 nan 8.250 nan 0.000 0.452 463 A N 1.625 124.553 122.820 0.180 0.000 1.883 463 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 463 A C 1.647 179.304 177.584 0.122 0.000 1.186 463 A CA 2.219 54.329 52.037 0.121 0.000 0.624 463 A CB -0.587 18.463 19.000 0.082 0.000 0.822 463 A HN 0.275 nan 8.150 nan 0.000 0.444 464 D N -1.335 119.169 120.400 0.174 0.000 2.144 464 D HA -0.113 4.527 4.640 -0.000 0.000 0.199 464 D C 1.575 177.899 176.300 0.040 0.000 0.984 464 D CA 1.068 55.147 54.000 0.132 0.000 0.834 464 D CB -0.432 40.509 40.800 0.235 0.000 0.955 464 D HN 0.488 nan 8.370 nan 0.000 0.465 465 F N 1.642 121.590 119.950 -0.004 0.000 2.113 465 F HA -0.109 4.418 4.527 -0.000 0.000 0.297 465 F C 2.121 177.831 175.800 -0.150 0.000 1.103 465 F CA 1.374 59.274 58.000 -0.166 0.000 1.248 465 F CB 0.068 39.108 39.000 0.066 0.000 0.999 465 F HN -0.109 nan 8.300 nan 0.000 0.475 466 E N -0.930 119.340 120.200 0.116 0.000 2.152 466 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 466 E C 2.079 178.639 176.600 -0.067 0.000 0.983 466 E CA 1.484 57.901 56.400 0.029 0.000 0.818 466 E CB -0.248 29.514 29.700 0.103 0.000 0.758 466 E HN 0.341 nan 8.360 nan 0.000 0.467 467 T N 1.561 116.064 114.554 -0.085 0.000 2.708 467 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 467 T C 1.913 176.484 174.700 -0.215 0.000 1.037 467 T CA 0.873 62.918 62.100 -0.091 0.000 1.146 467 T CB -0.188 68.630 68.868 -0.082 0.000 0.865 467 T HN 0.096 nan 8.240 nan 0.000 0.435 468 L N 0.689 121.659 121.223 -0.422 0.000 2.042 468 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 468 L C 2.899 179.185 176.870 -0.973 0.000 1.076 468 L CA 1.515 55.878 54.840 -0.794 0.000 0.749 468 L CB -0.639 40.888 42.059 -0.887 0.000 0.893 468 L HN 0.334 nan 8.230 nan 0.000 0.432 469 Q N -1.135 118.304 119.800 -0.602 0.000 2.119 469 Q HA -0.247 4.093 4.340 -0.000 0.000 0.201 469 Q C 2.136 178.013 176.000 -0.205 0.000 0.972 469 Q CA 1.756 57.344 55.803 -0.358 0.000 0.847 469 Q CB -0.284 28.324 28.738 -0.217 0.000 0.903 469 Q HN 0.468 nan 8.270 nan 0.000 0.433 470 Y N 1.432 121.582 120.300 -0.250 0.000 2.165 470 Y HA -0.251 4.299 4.550 0.000 0.000 0.286 470 Y C 2.185 177.982 175.900 -0.171 0.000 1.155 470 Y CA 1.921 59.927 58.100 -0.157 0.000 1.164 470 Y CB -0.446 37.941 38.460 -0.123 0.000 0.978 470 Y HN -0.031 nan 8.280 nan 0.000 0.513 471 T N 0.922 115.232 114.554 -0.407 0.000 2.708 471 T HA -0.154 4.196 4.350 -0.000 0.000 0.266 471 T C 1.544 176.012 174.700 -0.387 0.000 1.037 471 T CA 1.758 63.579 62.100 -0.466 0.000 1.146 471 T CB -0.582 68.005 68.868 -0.468 0.000 0.865 471 T HN 0.254 nan 8.240 nan 0.000 0.435 472 F N 1.504 121.279 119.950 -0.290 0.000 2.134 472 F HA 0.038 4.565 4.527 0.000 0.000 0.299 472 F C 2.503 178.151 175.800 -0.254 0.000 1.097 472 F CA 0.384 58.208 58.000 -0.294 0.000 1.264 472 F CB -1.046 37.787 39.000 -0.279 0.000 1.001 472 F HN 0.246 nan 8.300 nan 0.000 0.479 473 E N 0.330 120.494 120.200 -0.060 0.000 2.085 473 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 473 E C 1.507 178.028 176.600 -0.132 0.000 0.994 473 E CA 0.536 56.883 56.400 -0.087 0.000 0.801 473 E CB 0.078 29.729 29.700 -0.082 0.000 0.743 473 E HN 0.059 nan 8.360 nan 0.000 0.453 477 E N 1.700 121.913 120.200 0.021 0.000 2.038 477 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 477 E C 1.642 178.266 176.600 0.040 0.000 1.000 477 E CA 1.984 58.397 56.400 0.021 0.000 0.803 477 E CB -0.054 29.649 29.700 0.005 0.000 0.750 477 E HN 0.144 nan 8.360 nan 0.000 0.448 478 S N 0.835 116.587 115.700 0.086 0.000 2.356 478 S HA -0.199 4.271 4.470 -0.000 0.000 0.223 478 S C 2.168 176.797 174.600 0.048 0.000 1.032 478 S CA 1.002 59.257 58.200 0.092 0.000 1.005 478 S CB -0.350 62.969 63.200 0.198 0.000 0.867 478 S HN 0.413 nan 8.310 nan 0.000 0.449 479 A N 2.346 125.253 122.820 0.146 0.000 1.873 479 A HA -0.223 4.096 4.320 -0.000 0.000 0.218 479 A C 1.871 179.439 177.584 -0.027 0.000 1.193 479 A CA 1.991 54.066 52.037 0.064 0.000 0.629 479 A CB -0.863 18.263 19.000 0.211 0.000 0.826 479 A HN 0.388 nan 8.150 nan 0.000 0.447 480 D N -0.309 120.096 120.400 0.007 0.000 2.144 480 D HA -0.068 4.572 4.640 -0.000 0.000 0.200 480 D C 1.893 178.173 176.300 -0.034 0.000 0.978 480 D CA 1.082 55.075 54.000 -0.010 0.000 0.833 480 D CB -0.299 40.503 40.800 0.004 0.000 0.961 480 D HN 0.540 nan 8.370 nan 0.000 0.470 481 I N 0.522 121.071 120.570 -0.034 0.000 2.315 481 I HA -0.202 3.967 4.170 -0.000 0.000 0.248 481 I C 2.370 178.438 176.117 -0.082 0.000 1.117 481 I CA 0.559 61.831 61.300 -0.047 0.000 1.404 481 I CB -0.068 37.911 38.000 -0.034 0.000 1.071 481 I HN -0.047 nan 8.210 nan 0.000 0.419 482 L N 0.217 121.367 121.223 -0.120 0.000 2.056 482 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 482 L C 1.466 178.230 176.870 -0.176 0.000 1.078 482 L CA 0.676 55.406 54.840 -0.182 0.000 0.749 482 L CB -0.406 41.471 42.059 -0.304 0.000 0.901 482 L HN 0.159 nan 8.230 nan 0.000 0.433 486 T N -0.941 113.576 114.554 -0.061 0.000 3.040 486 T HA 0.147 4.497 4.350 -0.000 0.000 0.266 486 T C 1.070 175.735 174.700 -0.057 0.000 1.005 486 T CA -0.012 62.055 62.100 -0.055 0.000 0.906 486 T CB 0.413 69.255 68.868 -0.043 0.000 1.082 486 T HN 0.593 nan 8.240 nan 0.000 0.531 487 E N 1.790 121.952 120.200 -0.063 0.000 2.112 487 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 487 E C 0.428 176.984 176.600 -0.074 0.000 0.979 487 E CA 0.492 56.854 56.400 -0.063 0.000 0.814 487 E CB 0.201 29.863 29.700 -0.063 0.000 0.762 487 E HN 0.344 nan 8.360 nan 0.000 0.460 488 N N 0.360 119.007 118.700 -0.088 0.000 2.716 488 N HA 0.092 4.831 4.740 -0.000 0.000 0.253 488 N C -0.250 175.199 175.510 -0.101 0.000 1.170 488 N CA -0.159 52.830 53.050 -0.102 0.000 0.807 488 N CB 0.900 39.312 38.487 -0.125 0.000 1.183 488 N HN 0.001 nan 8.380 nan 0.000 0.524 489 K N 1.092 121.441 120.400 -0.085 0.000 2.057 489 K HA -0.031 4.289 4.320 -0.000 0.000 0.206 489 K C -1.008 175.543 176.600 -0.083 0.000 1.050 489 K CA 1.257 57.497 56.287 -0.077 0.000 0.935 489 K CB -0.439 32.026 32.500 -0.059 0.000 0.715 489 K HN 0.367 nan 8.250 nan 0.000 0.439 490 P HA -0.171 nan 4.420 nan 0.000 0.216 490 P C 1.422 178.657 177.300 -0.108 0.000 1.150 490 P CA 0.813 63.858 63.100 -0.093 0.000 0.837 490 P CB 0.034 31.668 31.700 -0.111 0.000 0.786 491 L N -0.608 120.535 121.223 -0.134 0.000 2.012 491 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 491 L C 2.029 178.818 176.870 -0.135 0.000 1.073 491 L CA 2.059 56.812 54.840 -0.145 0.000 0.748 491 L CB -1.283 40.679 42.059 -0.161 0.000 0.891 491 L HN -0.153 nan 8.230 nan 0.000 0.431 492 I N -0.968 119.524 120.570 -0.130 0.000 2.226 492 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 492 I C 2.615 178.665 176.117 -0.111 0.000 1.100 492 I CA 1.188 62.405 61.300 -0.140 0.000 1.374 492 I CB -1.466 36.455 38.000 -0.132 0.000 1.057 492 I HN 0.136 nan 8.210 nan 0.000 0.413 493 V N 1.034 120.902 119.914 -0.077 0.000 2.287 493 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 493 V C 2.487 178.572 176.094 -0.016 0.000 1.053 493 V CA 1.763 64.039 62.300 -0.039 0.000 1.027 493 V CB -0.697 31.113 31.823 -0.022 0.000 0.646 493 V HN 0.422 nan 8.190 nan 0.000 0.447 494 E N 0.245 120.425 120.200 -0.035 0.000 2.070 494 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 494 E C 2.047 178.607 176.600 -0.067 0.000 1.004 494 E CA 2.036 58.410 56.400 -0.043 0.000 0.805 494 E CB -0.263 29.380 29.700 -0.094 0.000 0.744 494 E HN 0.830 nan 8.360 nan 0.000 0.451 495 I N -2.000 118.519 120.570 -0.085 0.000 3.728 495 I HA 0.059 4.229 4.170 -0.000 0.000 0.307 495 I C 1.842 177.988 176.117 0.049 0.000 1.276 495 I CA 0.369 61.659 61.300 -0.016 0.000 1.285 495 I CB 0.069 37.997 38.000 -0.120 0.000 1.038 495 I HN -0.139 nan 8.210 nan 0.000 0.445 496 T N 2.815 117.340 114.554 -0.047 0.000 2.665 496 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 496 T C -0.379 174.213 174.700 -0.181 0.000 1.035 496 T CA 2.315 64.301 62.100 -0.189 0.000 1.151 496 T CB -1.063 67.708 68.868 -0.162 0.000 0.862 496 T HN 0.373 nan 8.240 nan 0.000 0.438 497 P HA -0.071 nan 4.420 nan 0.000 0.217 497 P C 1.272 178.498 177.300 -0.123 0.000 1.150 497 P CA 0.963 64.007 63.100 -0.093 0.000 0.832 497 P CB -0.161 31.350 31.700 -0.315 0.000 0.787 498 W N -0.768 120.529 121.300 -0.006 0.000 2.418 498 W HA -0.046 4.614 4.660 0.000 0.000 0.292 498 W C 1.947 178.562 176.519 0.159 0.000 1.213 498 W CA 0.570 57.981 57.345 0.110 0.000 1.283 498 W CB -0.852 28.725 29.460 0.196 0.000 1.119 498 W HN -0.207 nan 8.180 nan 0.000 0.542 499 V N -0.009 119.978 119.914 0.123 0.000 2.343 499 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 499 V C 2.250 178.375 176.094 0.051 0.000 1.051 499 V CA 1.826 64.052 62.300 -0.123 0.000 1.036 499 V CB -1.086 30.455 31.823 -0.471 0.000 0.654 499 V HN 0.145 nan 8.190 nan 0.000 0.451 500 H N -0.341 118.759 119.070 0.050 0.000 2.352 500 H HA -0.189 4.367 4.556 0.000 0.000 0.299 500 H C 2.388 177.747 175.328 0.053 0.000 1.097 500 H CA 2.175 58.240 56.048 0.029 0.000 1.311 500 H CB -0.222 29.531 29.762 -0.015 0.000 1.377 500 H HN 0.402 nan 8.280 nan 0.000 0.504 501 Q N 0.119 120.032 119.800 0.189 0.000 2.119 501 Q HA -0.104 4.236 4.340 -0.000 0.000 0.201 501 Q C 2.230 178.339 176.000 0.182 0.000 0.972 501 Q CA 1.102 56.975 55.803 0.117 0.000 0.847 501 Q CB -0.526 28.233 28.738 0.035 0.000 0.903 501 Q HN 0.388 nan 8.270 nan 0.000 0.433 502 F N 0.677 120.706 119.950 0.130 0.000 2.113 502 F HA -0.129 4.398 4.527 -0.000 0.000 0.297 502 F C 2.074 177.915 175.800 0.068 0.000 1.103 502 F CA 1.734 59.827 58.000 0.155 0.000 1.248 502 F CB -0.155 39.065 39.000 0.366 0.000 0.999 502 F HN 0.006 nan 8.300 nan 0.000 0.475 503 K N 0.486 121.010 120.400 0.207 0.000 2.044 503 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 503 K C 2.132 178.685 176.600 -0.078 0.000 1.049 503 K CA 2.045 58.354 56.287 0.036 0.000 0.927 503 K CB -0.453 32.105 32.500 0.097 0.000 0.713 503 K HN 0.387 nan 8.250 nan 0.000 0.443 504 L N 0.312 121.506 121.223 -0.049 0.000 2.046 504 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 504 L C 2.452 179.198 176.870 -0.206 0.000 1.077 504 L CA 1.530 56.299 54.840 -0.117 0.000 0.747 504 L CB -0.581 41.430 42.059 -0.079 0.000 0.896 504 L HN 0.267 nan 8.230 nan 0.000 0.432 505 T N -0.124 114.313 114.554 -0.195 0.000 2.684 505 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 505 T C 2.002 176.437 174.700 -0.440 0.000 1.036 505 T CA 1.472 63.405 62.100 -0.280 0.000 1.148 505 T CB -0.311 68.431 68.868 -0.211 0.000 0.863 505 T HN 0.467 nan 8.240 nan 0.000 0.436 506 A N 1.520 124.079 122.820 -0.435 0.000 1.902 506 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 506 A C 1.361 178.648 177.584 -0.495 0.000 1.181 506 A CA 0.960 52.710 52.037 -0.478 0.000 0.623 506 A CB -0.409 18.394 19.000 -0.328 0.000 0.818 506 A HN 0.573 nan 8.150 nan 0.000 0.443 510 E N 0.782 120.622 120.200 -0.600 0.000 2.118 510 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 510 E C 2.089 178.590 176.600 -0.164 0.000 0.992 510 E CA 1.251 57.532 56.400 -0.198 0.000 0.804 510 E CB 0.047 29.666 29.700 -0.135 0.000 0.741 510 E HN 0.383 nan 8.360 nan 0.000 0.458 511 E N 0.370 120.417 120.200 -0.255 0.000 2.107 511 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 511 E C 2.343 178.854 176.600 -0.148 0.000 0.982 511 E CA 0.505 56.779 56.400 -0.209 0.000 0.809 511 E CB -0.156 29.339 29.700 -0.342 0.000 0.756 511 E HN 0.116 nan 8.360 nan 0.000 0.459 512 V N 1.769 121.575 119.914 -0.180 0.000 2.407 512 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 512 V C 2.445 178.548 176.094 0.015 0.000 1.055 512 V CA 1.238 63.502 62.300 -0.061 0.000 1.049 512 V CB -0.457 31.320 31.823 -0.077 0.000 0.662 512 V HN 0.207 nan 8.190 nan 0.000 0.455 513 L N -0.966 120.246 121.223 -0.018 0.000 2.109 513 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 513 L C 1.553 178.595 176.870 0.286 0.000 1.086 513 L CA 0.998 55.877 54.840 0.064 0.000 0.760 513 L CB -0.418 41.503 42.059 -0.230 0.000 0.910 513 L HN 0.271 nan 8.230 nan 0.000 0.437 517 E N 1.937 122.395 120.200 0.431 0.000 2.512 517 E HA 0.149 4.499 4.350 -0.000 0.000 0.195 517 E C 1.277 178.073 176.600 0.328 0.000 1.083 517 E CA 0.436 57.027 56.400 0.317 0.000 0.873 517 E CB -0.088 29.771 29.700 0.265 0.000 0.897 517 E HN 0.630 nan 8.360 nan 0.000 0.514 518 G N 2.027 111.097 108.800 0.450 0.000 2.815 518 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.304 518 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.304 518 G C 0.628 175.739 174.900 0.352 0.000 0.392 518 G CA 0.272 45.685 45.100 0.522 0.000 1.202 518 G HN 0.238 nan 8.290 nan 0.000 0.200 519 R N 2.036 122.684 120.500 0.247 0.000 2.126 519 R HA -0.086 4.254 4.340 -0.000 0.000 0.224 519 R C 1.508 177.913 176.300 0.176 0.000 1.128 519 R CA 2.085 58.245 56.100 0.101 0.000 0.895 519 R CB -0.151 30.071 30.300 -0.130 0.000 0.817 519 R HN 0.821 nan 8.270 nan 0.000 0.435 520 N N -1.781 117.053 118.700 0.223 0.000 2.966 520 N HA 0.076 4.816 4.740 -0.000 0.000 0.314 520 N C 0.077 175.747 175.510 0.266 0.000 1.397 520 N CA -0.737 52.445 53.050 0.221 0.000 0.776 520 N CB 0.716 39.300 38.487 0.162 0.000 1.576 520 N HN 0.039 nan 8.380 nan 0.000 0.592 521 E N -0.630 119.672 120.200 0.170 0.000 2.072 521 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 521 E C 1.326 178.025 176.600 0.165 0.000 0.985 521 E CA 1.656 58.104 56.400 0.080 0.000 0.801 521 E CB -0.066 29.557 29.700 -0.128 0.000 0.750 521 E HN 0.655 nan 8.360 nan 0.000 0.452 522 S N -0.700 115.095 115.700 0.158 0.000 2.406 522 S HA -0.172 4.298 4.470 -0.000 0.000 0.228 522 S C 2.009 176.712 174.600 0.173 0.000 1.020 522 S CA 0.659 58.943 58.200 0.140 0.000 0.965 522 S CB -0.507 62.762 63.200 0.115 0.000 0.798 522 S HN 0.487 nan 8.310 nan 0.000 0.488 523 Y N 1.271 121.639 120.300 0.114 0.000 2.200 523 Y HA -0.000 4.550 4.550 -0.000 0.000 0.290 523 Y C 1.970 177.948 175.900 0.130 0.000 1.137 523 Y CA 1.493 59.661 58.100 0.112 0.000 1.163 523 Y CB -0.668 37.867 38.460 0.125 0.000 0.988 523 Y HN 0.343 nan 8.280 nan 0.000 0.518 524 F N 0.051 120.070 119.950 0.115 0.000 2.126 524 F HA -0.261 4.266 4.527 -0.000 0.000 0.299 524 F C 1.845 177.546 175.800 -0.164 0.000 1.096 524 F CA 1.769 59.748 58.000 -0.036 0.000 1.255 524 F CB -0.354 38.598 39.000 -0.079 0.000 0.997 524 F HN 0.027 nan 8.300 nan 0.000 0.479 525 L N -0.359 120.912 121.223 0.079 0.000 2.156 525 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 525 L C 2.576 179.443 176.870 -0.005 0.000 1.095 525 L CA 0.971 55.825 54.840 0.023 0.000 0.770 525 L CB -0.551 41.534 42.059 0.044 0.000 0.914 525 L HN 0.026 nan 8.230 nan 0.000 0.439 526 R N -0.066 120.390 120.500 -0.073 0.000 2.073 526 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 526 R C 2.361 178.564 176.300 -0.163 0.000 1.134 526 R CA 1.153 57.180 56.100 -0.123 0.000 0.952 526 R CB -0.104 30.092 30.300 -0.174 0.000 0.850 526 R HN 0.178 nan 8.270 nan 0.000 0.433 527 K N -0.055 120.171 120.400 -0.290 0.000 2.057 527 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 527 K C 1.978 178.463 176.600 -0.192 0.000 1.049 527 K CA 1.365 57.487 56.287 -0.274 0.000 0.931 527 K CB -0.648 31.617 32.500 -0.390 0.000 0.714 527 K HN 0.277 nan 8.250 nan 0.000 0.440 528 Y N 2.494 122.585 120.300 -0.348 0.000 2.165 528 Y HA -0.261 4.289 4.550 -0.000 0.000 0.286 528 Y C 1.683 177.536 175.900 -0.079 0.000 1.155 528 Y CA 1.946 59.922 58.100 -0.206 0.000 1.164 528 Y CB -0.449 37.843 38.460 -0.279 0.000 0.978 528 Y HN 0.209 nan 8.280 nan 0.000 0.513 529 N N -1.600 117.066 118.700 -0.058 0.000 2.216 529 N HA -0.179 4.561 4.740 -0.000 0.000 0.183 529 N C 1.810 177.248 175.510 -0.120 0.000 1.017 529 N CA 0.909 53.898 53.050 -0.102 0.000 0.861 529 N CB -0.390 38.092 38.487 -0.007 0.000 0.986 529 N HN 0.506 nan 8.380 nan 0.000 0.428 530 H N 0.318 119.257 119.070 -0.219 0.000 2.353 530 H HA -0.075 4.481 4.556 -0.000 0.000 0.300 530 H C 1.863 177.021 175.328 -0.284 0.000 1.090 530 H CA 1.019 56.931 56.048 -0.227 0.000 1.327 530 H CB 0.205 29.842 29.762 -0.209 0.000 1.383 530 H HN -0.007 nan 8.280 nan 0.000 0.508 531 V N 1.397 121.127 119.914 -0.305 0.000 2.287 531 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 531 V C 2.422 178.228 176.094 -0.481 0.000 1.053 531 V CA 1.743 63.752 62.300 -0.484 0.000 1.027 531 V CB -0.379 31.085 31.823 -0.599 0.000 0.646 531 V HN 0.382 nan 8.190 nan 0.000 0.447 532 K N 0.538 120.656 120.400 -0.470 0.000 2.074 532 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 532 K C 2.264 178.676 176.600 -0.315 0.000 1.048 532 K CA 1.754 57.810 56.287 -0.386 0.000 0.926 532 K CB -1.034 31.253 32.500 -0.356 0.000 0.713 532 K HN 0.510 nan 8.250 nan 0.000 0.444 533 A N 1.224 123.891 122.820 -0.255 0.000 1.902 533 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 533 A C 2.385 179.842 177.584 -0.211 0.000 1.181 533 A CA 1.204 53.113 52.037 -0.213 0.000 0.623 533 A CB -0.621 18.310 19.000 -0.115 0.000 0.818 533 A HN 0.197 nan 8.150 nan 0.000 0.443 534 L N -0.873 120.220 121.223 -0.216 0.000 2.046 534 L HA -0.272 4.068 4.340 -0.000 0.000 0.208 534 L C 2.901 179.639 176.870 -0.221 0.000 1.077 534 L CA 1.659 56.360 54.840 -0.232 0.000 0.747 534 L CB -0.633 41.233 42.059 -0.323 0.000 0.896 534 L HN 0.482 nan 8.230 nan 0.000 0.432 535 Q N -0.411 119.233 119.800 -0.260 0.000 2.096 535 Q HA -0.274 4.065 4.340 -0.000 0.000 0.204 535 Q C 2.298 178.219 176.000 -0.132 0.000 0.982 535 Q CA 1.686 57.378 55.803 -0.185 0.000 0.850 535 Q CB -0.147 28.475 28.738 -0.194 0.000 0.901 535 Q HN 0.569 nan 8.270 nan 0.000 0.422 536 Q N 0.325 119.931 119.800 -0.324 0.000 2.084 536 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 536 Q C 0.665 176.600 176.000 -0.109 0.000 0.978 536 Q CA 0.828 56.346 55.803 -0.475 0.000 0.844 536 Q CB 0.039 28.324 28.738 -0.756 0.000 0.898 536 Q HN 0.434 nan 8.270 nan 0.000 0.426 540 Y N 2.490 122.791 120.300 0.002 0.000 2.128 540 Y HA -0.161 4.389 4.550 -0.000 0.000 0.284 540 Y C 2.097 177.887 175.900 -0.184 0.000 1.154 540 Y CA 2.793 60.828 58.100 -0.109 0.000 1.149 540 Y CB -0.534 37.906 38.460 -0.033 0.000 0.976 540 Y HN 0.219 nan 8.280 nan 0.000 0.505 541 I N 0.116 120.586 120.570 -0.167 0.000 2.208 541 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 541 I C 2.009 177.914 176.117 -0.353 0.000 1.097 541 I CA 2.090 63.224 61.300 -0.275 0.000 1.363 541 I CB -0.708 37.215 38.000 -0.129 0.000 1.051 541 I HN 0.262 nan 8.210 nan 0.000 0.413 542 D N 0.316 120.528 120.400 -0.314 0.000 2.263 542 D HA -0.167 4.473 4.640 -0.000 0.000 0.208 542 D C 2.112 178.178 176.300 -0.389 0.000 0.971 542 D CA 1.027 54.834 54.000 -0.322 0.000 0.867 542 D CB 0.181 40.832 40.800 -0.248 0.000 0.929 542 D HN 0.246 nan 8.370 nan 0.000 0.492 543 Q N -1.362 118.129 119.800 -0.515 0.000 2.396 543 Q HA 0.099 4.439 4.340 -0.000 0.000 0.209 543 Q C 1.756 177.509 176.000 -0.411 0.000 0.906 543 Q CA 0.968 56.481 55.803 -0.484 0.000 0.927 543 Q CB 0.763 29.127 28.738 -0.623 0.000 1.069 543 Q HN 0.473 nan 8.270 nan 0.000 0.523 544 T N -3.793 110.460 114.554 -0.501 0.000 2.978 544 T HA 0.242 4.592 4.350 -0.000 0.000 0.248 544 T C 1.053 175.564 174.700 -0.314 0.000 1.018 544 T CA -0.186 61.643 62.100 -0.452 0.000 1.026 544 T CB 0.360 68.771 68.868 -0.762 0.000 1.032 544 T HN -0.142 nan 8.240 nan 0.000 0.485 545 S N 2.590 118.096 115.700 -0.322 0.000 2.578 545 S HA 0.505 4.975 4.470 -0.000 0.000 0.283 545 S C 0.223 174.681 174.600 -0.237 0.000 1.195 545 S CA -0.474 57.569 58.200 -0.261 0.000 1.050 545 S CB 0.862 63.876 63.200 -0.311 0.000 1.012 545 S HN 0.558 nan 8.310 nan 0.000 0.511 546 N N 1.725 120.331 118.700 -0.156 0.000 2.725 546 N HA -0.160 4.580 4.740 -0.000 0.000 0.251 546 N C -0.788 174.690 175.510 -0.052 0.000 1.031 546 N CA 0.346 53.353 53.050 -0.071 0.000 0.720 546 N CB -0.713 37.701 38.487 -0.121 0.000 0.930 546 N HN 0.453 nan 8.380 nan 0.000 0.543 547 Q N 0.680 120.442 119.800 -0.064 0.000 2.837 547 Q HA 0.123 4.463 4.340 -0.000 0.000 0.235 547 Q C 0.204 176.185 176.000 -0.031 0.000 1.348 547 Q CA -0.106 55.657 55.803 -0.067 0.000 0.990 547 Q CB -0.682 28.001 28.738 -0.092 0.000 1.570 547 Q HN 0.729 nan 8.270 nan 0.000 0.575 548 N N -0.689 118.011 118.700 0.000 0.000 2.476 548 N HA 0.324 5.063 4.740 -0.000 0.000 0.275 548 N C -2.107 173.351 175.510 -0.087 0.000 1.190 548 N CA -1.457 51.602 53.050 0.016 0.000 0.977 548 N CB 0.665 39.228 38.487 0.126 0.000 1.200 548 N HN -0.150 nan 8.380 nan 0.000 0.515 549 P HA -0.031 nan 4.420 nan 0.000 0.226 549 P C -0.143 176.785 177.300 -0.621 0.000 1.153 549 P CA 1.183 63.956 63.100 -0.546 0.000 0.777 549 P CB -0.043 31.111 31.700 -0.910 0.000 0.794 550 Y N -1.297 119.013 120.300 0.016 0.000 2.447 550 Y HA 0.271 4.821 4.550 0.000 0.000 0.286 550 Y C 0.843 176.758 175.900 0.025 0.000 1.153 550 Y CA 0.177 58.287 58.100 0.016 0.000 1.241 550 Y CB -0.355 38.118 38.460 0.021 0.000 1.284 550 Y HN -0.241 nan 8.280 nan 0.000 0.520 551 Q N 1.238 121.153 119.800 0.191 0.000 3.064 551 Q HA 0.313 4.653 4.340 -0.000 0.000 0.258 551 Q C -2.848 173.209 176.000 0.094 0.000 0.972 551 Q CA -2.155 53.726 55.803 0.130 0.000 0.761 551 Q CB 1.473 30.304 28.738 0.155 0.000 1.281 551 Q HN 0.053 nan 8.270 nan 0.000 0.455 552 P HA 0.378 nan 4.420 nan 0.000 0.272 552 P C 0.522 177.797 177.300 -0.042 0.000 1.223 552 P CA 0.682 63.774 63.100 -0.014 0.000 0.784 552 P CB 1.253 32.918 31.700 -0.059 0.000 0.923 553 G N 0.226 108.968 108.800 -0.097 0.000 2.472 553 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.205 553 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.205 553 G C -1.535 173.207 174.900 -0.263 0.000 1.270 553 G CA -0.321 44.665 45.100 -0.189 0.000 0.974 553 G HN 0.540 nan 8.290 nan 0.000 0.542 554 V N 1.498 121.213 119.914 -0.331 0.000 2.532 554 V HA 0.600 4.720 4.120 -0.000 0.000 0.294 554 V C -0.601 175.333 176.094 -0.267 0.000 1.036 554 V CA -1.061 60.921 62.300 -0.531 0.000 0.876 554 V CB 1.602 32.952 31.823 -0.788 0.000 1.012 554 V HN 0.748 nan 8.190 nan 0.000 0.432 555 K N 2.027 122.347 120.400 -0.134 0.000 2.259 555 K HA 0.847 5.167 4.320 -0.000 0.000 0.252 555 K C -0.478 176.133 176.600 0.018 0.000 0.936 555 K CA -0.545 55.659 56.287 -0.139 0.000 0.810 555 K CB 2.584 34.841 32.500 -0.406 0.000 1.143 555 K HN 0.671 nan 8.250 nan 0.000 0.427 556 T N -0.741 113.851 114.554 0.063 0.000 2.923 556 T HA 0.474 4.824 4.350 -0.000 0.000 0.311 556 T C -1.005 173.787 174.700 0.154 0.000 1.183 556 T CA 0.304 62.513 62.100 0.181 0.000 1.020 556 T CB 0.886 69.958 68.868 0.340 0.000 1.165 556 T HN 0.685 nan 8.240 nan 0.000 0.482 557 A N 1.878 124.816 122.820 0.196 0.000 2.745 557 A HA -0.165 4.155 4.320 -0.000 0.000 0.296 557 A C 1.316 178.974 177.584 0.124 0.000 1.500 557 A CA 2.028 54.173 52.037 0.180 0.000 0.766 557 A CB -2.677 16.402 19.000 0.131 0.000 1.030 557 A HN 1.614 nan 8.150 nan 0.000 0.489 558 T N -3.100 111.539 114.554 0.143 0.000 3.043 558 T HA 0.059 4.409 4.350 -0.000 0.000 0.263 558 T C 1.621 176.398 174.700 0.129 0.000 1.094 558 T CA 1.175 63.356 62.100 0.136 0.000 1.127 558 T CB -0.025 68.964 68.868 0.203 0.000 0.905 558 T HN 0.662 nan 8.240 nan 0.000 0.490 559 R N 0.248 120.828 120.500 0.133 0.000 2.062 559 R HA 0.122 4.462 4.340 -0.000 0.000 0.226 559 R C 1.794 178.151 176.300 0.095 0.000 1.125 559 R CA 1.226 57.392 56.100 0.111 0.000 0.966 559 R CB 0.061 30.425 30.300 0.107 0.000 0.861 559 R HN 0.364 nan 8.270 nan 0.000 0.433 560 V N -0.475 119.497 119.914 0.098 0.000 2.996 560 V HA 0.031 4.151 4.120 -0.000 0.000 0.235 560 V C 1.987 178.121 176.094 0.066 0.000 1.205 560 V CA 0.334 62.683 62.300 0.082 0.000 1.225 560 V CB 0.045 31.920 31.823 0.087 0.000 0.995 560 V HN 0.170 nan 8.190 nan 0.000 0.484 561 I N 0.605 121.208 120.570 0.055 0.000 2.163 561 I HA -0.190 3.980 4.170 -0.000 0.000 0.240 561 I C 2.537 178.667 176.117 0.021 0.000 1.081 561 I CA 1.661 62.979 61.300 0.029 0.000 1.353 561 I CB -0.222 37.761 38.000 -0.028 0.000 1.054 561 I HN 0.235 nan 8.210 nan 0.000 0.407 562 K N 1.254 121.664 120.400 0.016 0.000 2.057 562 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 562 K C -0.732 175.879 176.600 0.018 0.000 1.050 562 K CA 1.577 57.861 56.287 -0.004 0.000 0.935 562 K CB -1.321 31.183 32.500 0.007 0.000 0.715 562 K HN 0.109 nan 8.250 nan 0.000 0.439 563 P HA -0.138 nan 4.420 nan 0.000 0.216 563 P C 1.254 178.596 177.300 0.071 0.000 1.150 563 P CA 0.925 64.062 63.100 0.062 0.000 0.837 563 P CB -0.018 31.725 31.700 0.071 0.000 0.786 564 L N -0.905 120.361 121.223 0.072 0.000 2.046 564 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 564 L C 2.177 179.099 176.870 0.086 0.000 1.077 564 L CA 1.814 56.711 54.840 0.094 0.000 0.747 564 L CB -1.099 41.013 42.059 0.089 0.000 0.896 564 L HN -0.156 nan 8.230 nan 0.000 0.432 565 I N -0.238 120.352 120.570 0.033 0.000 2.202 565 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 565 I C 2.056 178.193 176.117 0.034 0.000 1.091 565 I CA 1.325 62.611 61.300 -0.024 0.000 1.368 565 I CB -0.538 37.365 38.000 -0.162 0.000 1.058 565 I HN 0.283 nan 8.210 nan 0.000 0.410 566 D N 0.690 121.114 120.400 0.040 0.000 2.097 566 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 566 D C 2.370 178.769 176.300 0.165 0.000 0.989 566 D CA 1.247 55.303 54.000 0.094 0.000 0.827 566 D CB -0.234 40.605 40.800 0.064 0.000 0.966 566 D HN 0.228 nan 8.370 nan 0.000 0.456 567 R N -0.066 120.513 120.500 0.132 0.000 2.096 567 R HA -0.043 4.297 4.340 -0.000 0.000 0.235 567 R C 2.267 178.665 176.300 0.164 0.000 1.127 567 R CA 1.366 57.548 56.100 0.138 0.000 0.968 567 R CB -0.315 30.062 30.300 0.127 0.000 0.861 567 R HN 0.141 nan 8.270 nan 0.000 0.440 568 T N 0.777 115.433 114.554 0.169 0.000 2.821 568 T HA -0.134 4.215 4.350 -0.000 0.000 0.267 568 T C 1.313 176.125 174.700 0.185 0.000 1.046 568 T CA 1.070 63.259 62.100 0.147 0.000 1.139 568 T CB -0.271 68.654 68.868 0.095 0.000 0.871 568 T HN 0.147 nan 8.240 nan 0.000 0.454 569 F N 2.501 122.475 119.950 0.041 0.000 2.075 569 F HA -0.005 4.522 4.527 -0.000 0.000 0.297 569 F C 2.516 178.373 175.800 0.096 0.000 1.113 569 F CA 1.015 59.043 58.000 0.046 0.000 1.218 569 F CB -0.940 38.053 39.000 -0.011 0.000 0.984 569 F HN 0.143 nan 8.300 nan 0.000 0.472 570 A N -0.532 122.327 122.820 0.065 0.000 1.917 570 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 570 A C 2.208 179.735 177.584 -0.096 0.000 1.182 570 A CA 2.633 54.650 52.037 -0.034 0.000 0.633 570 A CB -1.495 17.542 19.000 0.063 0.000 0.819 570 A HN 0.488 nan 8.150 nan 0.000 0.448 571 T N -1.150 113.379 114.554 -0.043 0.000 2.770 571 T HA -0.083 4.267 4.350 -0.000 0.000 0.263 571 T C 1.854 176.324 174.700 -0.383 0.000 1.039 571 T CA 1.294 63.262 62.100 -0.220 0.000 1.142 571 T CB -0.478 68.373 68.868 -0.028 0.000 0.868 571 T HN 0.197 nan 8.240 nan 0.000 0.435 572 V N 1.383 121.347 119.914 0.084 0.000 2.490 572 V HA -0.116 4.004 4.120 -0.000 0.000 0.250 572 V C 2.390 178.640 176.094 0.260 0.000 1.061 572 V CA 1.353 63.834 62.300 0.302 0.000 1.064 572 V CB -0.416 31.724 31.823 0.527 0.000 0.670 572 V HN 0.319 nan 8.190 nan 0.000 0.461 573 V N -0.027 119.920 119.914 0.056 0.000 2.358 573 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 573 V C 2.426 178.564 176.094 0.073 0.000 1.047 573 V CA 2.431 64.763 62.300 0.055 0.000 1.035 573 V CB -0.648 31.035 31.823 -0.233 0.000 0.658 573 V HN 0.591 nan 8.190 nan 0.000 0.452 574 K N -0.388 119.990 120.400 -0.036 0.000 2.032 574 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 574 K C 2.121 178.818 176.600 0.163 0.000 1.048 574 K CA 1.917 58.208 56.287 0.007 0.000 0.927 574 K CB -0.248 32.202 32.500 -0.084 0.000 0.712 574 K HN 0.340 nan 8.250 nan 0.000 0.441 575 F N 0.312 120.303 119.950 0.067 0.000 2.161 575 F HA -0.152 4.375 4.527 -0.000 0.000 0.300 575 F C 2.203 178.036 175.800 0.054 0.000 1.089 575 F CA 0.670 58.690 58.000 0.033 0.000 1.282 575 F CB -1.155 37.862 39.000 0.030 0.000 1.010 575 F HN 0.070 nan 8.300 nan 0.000 0.485 576 F N 1.370 121.391 119.950 0.117 0.000 2.113 576 F HA -0.204 4.323 4.527 -0.000 0.000 0.297 576 F C 2.218 178.061 175.800 0.071 0.000 1.103 576 F CA 1.547 59.531 58.000 -0.027 0.000 1.248 576 F CB -0.555 38.147 39.000 -0.497 0.000 0.999 576 F HN -0.159 nan 8.300 nan 0.000 0.475 577 N N 0.564 119.369 118.700 0.175 0.000 2.061 577 N HA -0.218 4.522 4.740 -0.000 0.000 0.193 577 N C 1.815 177.284 175.510 -0.068 0.000 1.030 577 N CA 1.760 54.826 53.050 0.026 0.000 0.856 577 N CB -0.664 37.846 38.487 0.038 0.000 1.023 577 N HN 0.510 nan 8.380 nan 0.000 0.424 578 Q N 0.431 120.220 119.800 -0.018 0.000 2.020 578 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 578 Q C 1.969 177.866 176.000 -0.171 0.000 0.982 578 Q CA 1.328 57.092 55.803 -0.065 0.000 0.838 578 Q CB -0.114 28.622 28.738 -0.004 0.000 0.899 578 Q HN 0.325 nan 8.270 nan 0.000 0.423 579 K N -0.314 119.952 120.400 -0.224 0.000 2.211 579 K HA -0.088 4.232 4.320 -0.000 0.000 0.203 579 K C 0.442 176.535 176.600 -0.845 0.000 1.050 579 K CA 0.891 56.877 56.287 -0.501 0.000 0.945 579 K CB 0.249 32.434 32.500 -0.525 0.000 0.732 579 K HN 0.091 nan 8.250 nan 0.000 0.451 580 F N 0.315 119.991 119.950 -0.457 0.000 2.735 580 F HA 0.237 4.764 4.527 0.000 0.000 0.308 580 F C 0.147 175.751 175.800 -0.326 0.000 1.112 580 F CA -0.690 57.034 58.000 -0.460 0.000 1.235 580 F CB 0.242 38.764 39.000 -0.795 0.000 1.027 580 F HN -0.029 nan 8.300 nan 0.000 0.528 581 N N 1.907 120.506 118.700 -0.168 0.000 2.702 581 N HA -0.219 4.521 4.740 -0.000 0.000 0.255 581 N C -0.166 175.200 175.510 -0.241 0.000 0.983 581 N CA 0.681 53.622 53.050 -0.181 0.000 0.768 581 N CB -0.477 37.938 38.487 -0.121 0.000 0.918 581 N HN 0.390 nan 8.380 nan 0.000 0.540 582 A N -0.079 122.602 122.820 -0.232 0.000 2.261 582 A HA 0.607 4.927 4.320 -0.000 0.000 0.323 582 A C 0.130 177.507 177.584 -0.344 0.000 1.107 582 A CA -0.310 51.623 52.037 -0.173 0.000 0.883 582 A CB 0.584 19.596 19.000 0.021 0.000 1.251 582 A HN 0.570 nan 8.150 nan 0.000 0.502 583 H N -0.318 118.794 119.070 0.070 0.000 2.562 583 H HA 0.333 4.888 4.556 -0.000 0.000 0.249 583 H C -0.778 174.583 175.328 0.055 0.000 1.195 583 H CA -0.329 55.754 56.048 0.058 0.000 0.938 583 H CB 0.070 29.862 29.762 0.050 0.000 1.891 583 H HN 0.387 nan 8.280 nan 0.000 0.595 584 L N 1.295 122.573 121.223 0.091 0.000 2.490 584 L HA -0.006 4.334 4.340 -0.000 0.000 0.274 584 L C 0.540 177.474 176.870 0.108 0.000 1.201 584 L CA 0.061 54.902 54.840 0.002 0.000 0.869 584 L CB 0.376 42.265 42.059 -0.283 0.000 1.123 584 L HN 0.372 nan 8.230 nan 0.000 0.484 585 D N 2.434 122.963 120.400 0.215 0.000 2.390 585 D HA 0.202 4.842 4.640 -0.000 0.000 0.249 585 D C 0.327 176.787 176.300 0.267 0.000 1.144 585 D CA 0.021 54.157 54.000 0.226 0.000 0.880 585 D CB 1.676 42.614 40.800 0.230 0.000 1.182 585 D HN 0.565 nan 8.370 nan 0.000 0.451 586 A N 3.241 126.160 122.820 0.165 0.000 2.465 586 A HA 0.186 4.506 4.320 -0.000 0.000 0.255 586 A C 0.775 178.488 177.584 0.216 0.000 1.274 586 A CA -0.342 51.759 52.037 0.105 0.000 0.920 586 A CB -0.162 18.843 19.000 0.008 0.000 1.033 586 A HN 0.516 nan 8.150 nan 0.000 0.516 587 T N 1.273 115.961 114.554 0.223 0.000 2.928 587 T HA 0.234 4.584 4.350 -0.000 0.000 0.305 587 T C 1.616 176.455 174.700 0.232 0.000 1.035 587 T CA 1.092 63.300 62.100 0.180 0.000 1.145 587 T CB 1.032 69.965 68.868 0.108 0.000 0.963 587 T HN 0.559 nan 8.240 nan 0.000 0.545 588 T N -1.244 113.401 114.554 0.151 0.000 3.000 588 T HA 0.148 4.497 4.350 -0.000 0.000 0.248 588 T C 0.182 174.885 174.700 0.005 0.000 1.034 588 T CA -0.138 62.016 62.100 0.090 0.000 1.060 588 T CB 0.396 69.332 68.868 0.113 0.000 0.983 588 T HN 0.410 nan 8.240 nan 0.000 0.482 589 D N 1.378 121.794 120.400 0.027 0.000 2.256 589 D HA 0.349 4.989 4.640 -0.000 0.000 0.240 589 D C -0.847 175.456 176.300 0.005 0.000 1.062 589 D CA -0.528 53.490 54.000 0.029 0.000 0.832 589 D CB 1.510 42.335 40.800 0.040 0.000 1.135 589 D HN 0.240 nan 8.370 nan 0.000 0.484 593 H N 1.806 120.737 119.070 -0.231 0.000 2.482 593 H HA 0.641 5.197 4.556 -0.000 0.000 0.344 593 H C 0.281 175.527 175.328 -0.136 0.000 1.151 593 H CA 0.199 56.165 56.048 -0.138 0.000 1.300 593 H CB 1.874 31.580 29.762 -0.092 0.000 1.494 593 H HN 0.113 nan 8.280 nan 0.000 0.542 605 L N 3.473 124.691 121.223 -0.007 0.000 2.453 605 L HA 0.330 4.670 4.340 -0.000 0.000 0.272 605 L C -1.770 175.092 176.870 -0.013 0.000 1.182 605 L CA -1.093 53.742 54.840 -0.009 0.000 0.858 605 L CB 0.092 42.137 42.059 -0.023 0.000 1.120 605 L HN 0.068 nan 8.230 nan 0.000 0.474 606 P HA 0.253 nan 4.420 nan 0.000 0.284 606 P C -0.652 176.645 177.300 -0.005 0.000 1.253 606 P CA -0.502 62.596 63.100 -0.003 0.000 0.800 606 P CB 0.931 32.637 31.700 0.010 0.000 0.961 607 L N 2.330 123.547 121.223 -0.010 0.000 2.439 607 L HA 0.202 4.542 4.340 -0.000 0.000 0.269 607 L C 1.031 177.917 176.870 0.026 0.000 1.179 607 L CA 0.056 54.900 54.840 0.006 0.000 0.828 607 L CB 0.022 42.089 42.059 0.014 0.000 1.106 607 L HN 0.351 nan 8.230 nan 0.000 0.467 608 Q N 1.487 121.315 119.800 0.047 0.000 2.377 608 Q HA 0.572 4.912 4.340 -0.000 0.000 0.271 608 Q C -1.378 174.675 176.000 0.088 0.000 1.077 608 Q CA -0.785 55.056 55.803 0.064 0.000 0.820 608 Q CB 3.225 31.991 28.738 0.047 0.000 1.347 608 Q HN 0.329 nan 8.270 nan 0.000 0.444 609 V N 2.677 122.657 119.914 0.111 0.000 2.448 609 V HA 0.453 4.573 4.120 -0.000 0.000 0.295 609 V C -0.625 175.480 176.094 0.019 0.000 1.025 609 V CA -0.650 61.709 62.300 0.099 0.000 0.859 609 V CB 1.600 33.534 31.823 0.185 0.000 0.988 609 V HN 0.559 nan 8.190 nan 0.000 0.431 610 K N 3.733 124.127 120.400 -0.010 0.000 2.668 610 K HA 0.724 5.044 4.320 -0.000 0.000 0.246 610 K C 0.372 176.936 176.600 -0.060 0.000 0.976 610 K CA 0.284 56.546 56.287 -0.042 0.000 0.902 610 K CB 1.636 34.119 32.500 -0.027 0.000 1.172 610 K HN 0.926 nan 8.250 nan 0.000 0.452 611 A N 3.396 126.167 122.820 -0.082 0.000 5.318 611 A HA -0.348 3.972 4.320 -0.000 0.000 0.329 611 A C 0.735 178.274 177.584 -0.074 0.000 1.789 611 A CA 1.873 53.859 52.037 -0.084 0.000 0.711 611 A CB -1.399 17.550 19.000 -0.084 0.000 1.398 611 A HN 0.875 nan 8.150 nan 0.000 0.392 612 N N 1.453 120.109 118.700 -0.075 0.000 2.322 612 N HA 0.161 4.901 4.740 -0.000 0.000 0.216 612 N C 0.120 175.576 175.510 -0.090 0.000 1.144 612 N CA 0.447 53.445 53.050 -0.086 0.000 0.830 612 N CB -0.135 38.307 38.487 -0.076 0.000 1.034 612 N HN 0.691 nan 8.380 nan 0.000 0.484 613 R N -0.253 120.206 120.500 -0.069 0.000 2.589 613 R HA 0.577 4.917 4.340 -0.000 0.000 0.293 613 R C -0.943 175.336 176.300 -0.035 0.000 0.963 613 R CA -0.857 55.208 56.100 -0.058 0.000 0.905 613 R CB 2.381 32.653 30.300 -0.047 0.000 1.144 613 R HN -0.123 nan 8.270 nan 0.000 0.459 614 V N 4.836 124.727 119.914 -0.039 0.000 2.350 614 V HA 0.322 4.442 4.120 -0.000 0.000 0.285 614 V C -0.742 175.371 176.094 0.031 0.000 1.014 614 V CA -0.787 61.512 62.300 -0.002 0.000 0.831 614 V CB 1.093 32.865 31.823 -0.085 0.000 1.000 614 V HN 0.465 nan 8.190 nan 0.000 0.433 615 L N 5.494 126.746 121.223 0.048 0.000 2.334 615 L HA 0.612 4.952 4.340 -0.000 0.000 0.272 615 L C -0.103 176.799 176.870 0.053 0.000 1.020 615 L CA -0.362 54.516 54.840 0.063 0.000 0.812 615 L CB 1.538 43.621 42.059 0.040 0.000 1.264 615 L HN 0.404 nan 8.230 nan 0.000 0.439 616 I N 0.718 121.318 120.570 0.050 0.000 2.365 616 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 616 I C 0.202 176.320 176.117 0.002 0.000 1.004 616 I CA -0.322 60.962 61.300 -0.027 0.000 1.311 616 I CB 1.192 39.093 38.000 -0.165 0.000 1.401 616 I HN 0.581 nan 8.210 nan 0.000 0.491 617 S N 7.460 123.160 115.700 -0.000 0.000 2.544 617 S HA 0.106 4.576 4.470 -0.000 0.000 0.290 617 S C -1.873 172.734 174.600 0.011 0.000 1.276 617 S CA -0.915 57.292 58.200 0.012 0.000 1.075 617 S CB -0.218 62.992 63.200 0.015 0.000 0.849 617 S HN 0.417 nan 8.310 nan 0.000 0.494 632 E N 0.776 121.030 120.200 0.091 0.000 2.265 632 E HA 0.527 4.877 4.350 -0.000 0.000 0.262 632 E C -1.821 174.842 176.600 0.106 0.000 0.889 632 E CA -0.267 56.215 56.400 0.135 0.000 0.789 632 E CB 2.023 31.811 29.700 0.146 0.000 1.221 632 E HN 0.496 nan 8.360 nan 0.000 0.414 633 I N 3.360 124.001 120.570 0.118 0.000 2.321 633 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 633 I C 0.272 176.399 176.117 0.016 0.000 0.998 633 I CA -0.406 60.928 61.300 0.057 0.000 1.227 633 I CB 1.431 39.463 38.000 0.054 0.000 1.368 633 I HN 0.383 nan 8.210 nan 0.000 0.466 634 E N 7.854 128.009 120.200 -0.074 0.000 2.113 634 E HA 0.428 4.778 4.350 -0.000 0.000 0.273 634 E C -1.044 175.415 176.600 -0.235 0.000 0.924 634 E CA -0.631 55.560 56.400 -0.349 0.000 0.764 634 E CB 1.090 30.552 29.700 -0.396 0.000 1.104 634 E HN 0.532 nan 8.360 nan 0.000 0.406 635 L N 3.144 124.209 121.223 -0.263 0.000 2.466 635 L HA 0.119 4.459 4.340 -0.000 0.000 0.257 635 L C 1.490 178.382 176.870 0.035 0.000 1.189 635 L CA -0.499 54.264 54.840 -0.127 0.000 0.813 635 L CB 0.467 42.432 42.059 -0.157 0.000 1.118 635 L HN 0.696 nan 8.230 nan 0.000 0.471 636 D N -0.433 120.162 120.400 0.324 0.000 2.363 636 D HA 0.118 4.758 4.640 -0.000 0.000 0.220 636 D C 0.208 176.568 176.300 0.100 0.000 0.994 636 D CA 0.543 54.659 54.000 0.193 0.000 0.890 636 D CB 0.426 41.347 40.800 0.201 0.000 0.906 636 D HN 0.506 nan 8.370 nan 0.000 0.530 637 A N -0.482 122.385 122.820 0.078 0.000 2.511 637 A HA 0.537 4.857 4.320 -0.000 0.000 0.293 637 A C -1.325 176.109 177.584 -0.251 0.000 1.098 637 A CA -0.899 51.047 52.037 -0.152 0.000 0.643 637 A CB 0.367 19.182 19.000 -0.308 0.000 1.302 637 A HN 0.075 nan 8.150 nan 0.000 0.446 638 I N 1.141 121.535 120.570 -0.292 0.000 2.416 638 I HA 0.387 4.557 4.170 -0.000 0.000 0.288 638 I C -1.046 174.845 176.117 -0.377 0.000 1.051 638 I CA 0.152 61.335 61.300 -0.195 0.000 1.375 638 I CB 0.316 38.266 38.000 -0.083 0.000 1.407 638 I HN 0.554 nan 8.210 nan 0.000 0.516 639 Y N 6.233 126.531 120.300 -0.004 0.000 2.536 639 Y HA 0.419 4.969 4.550 0.000 0.000 0.347 639 Y C -2.305 173.594 175.900 -0.001 0.000 1.000 639 Y CA -2.979 55.120 58.100 -0.002 0.000 1.051 639 Y CB 1.193 39.644 38.460 -0.015 0.000 1.259 639 Y HN 0.392 nan 8.280 nan 0.000 0.468 640 P HA 0.091 nan 4.420 nan 0.000 0.266 640 P C -0.032 177.319 177.300 0.084 0.000 1.215 640 P CA 0.024 63.181 63.100 0.096 0.000 0.763 640 P CB 0.398 32.142 31.700 0.073 0.000 0.806 641 G N 2.551 111.386 108.800 0.058 0.000 2.415 641 G HA2 0.174 4.134 3.960 -0.000 0.000 0.269 641 G HA3 0.174 4.134 3.960 -0.000 0.000 0.269 641 G C 0.440 175.345 174.900 0.010 0.000 1.209 641 G CA -0.110 45.008 45.100 0.030 0.000 0.835 641 G HN 0.340 nan 8.290 nan 0.000 0.534 642 E N 0.216 120.410 120.200 -0.010 0.000 2.192 642 E HA 0.163 4.512 4.350 -0.000 0.000 0.196 642 E C 0.535 177.119 176.600 -0.027 0.000 0.922 642 E CA 0.715 57.104 56.400 -0.018 0.000 0.924 642 E CB 0.414 30.097 29.700 -0.028 0.000 0.911 642 E HN 0.793 nan 8.360 nan 0.000 0.478 643 N N -1.349 117.325 118.700 -0.043 0.000 3.171 643 N HA 0.262 5.002 4.740 -0.000 0.000 0.239 643 N C -1.562 173.895 175.510 -0.087 0.000 1.275 643 N CA -0.540 52.476 53.050 -0.057 0.000 0.920 643 N CB 0.823 39.276 38.487 -0.057 0.000 1.554 643 N HN -0.102 nan 8.380 nan 0.000 0.504 644 I N 0.191 120.692 120.570 -0.115 0.000 2.493 644 I HA 0.381 4.551 4.170 -0.000 0.000 0.298 644 I C -0.619 175.366 176.117 -0.219 0.000 0.998 644 I CA -0.706 60.479 61.300 -0.192 0.000 1.137 644 I CB 1.926 39.780 38.000 -0.243 0.000 1.310 644 I HN 0.487 nan 8.210 nan 0.000 0.445 645 Q N 5.970 125.605 119.800 -0.275 0.000 2.303 645 Q HA 0.581 4.921 4.340 -0.000 0.000 0.267 645 Q C -1.122 174.647 176.000 -0.384 0.000 1.011 645 Q CA -0.377 55.265 55.803 -0.267 0.000 0.740 645 Q CB 2.855 31.486 28.738 -0.178 0.000 1.250 645 Q HN 0.532 nan 8.270 nan 0.000 0.458 646 I N 1.148 121.441 120.570 -0.462 0.000 2.947 646 I HA 0.520 4.690 4.170 -0.000 0.000 0.314 646 I C -0.335 175.463 176.117 -0.532 0.000 1.028 646 I CA -0.928 60.011 61.300 -0.603 0.000 1.077 646 I CB 1.929 39.444 38.000 -0.809 0.000 1.274 646 I HN 0.553 nan 8.210 nan 0.000 0.485 647 N N 1.720 119.983 118.700 -0.728 0.000 2.452 647 N HA 0.535 5.275 4.740 -0.000 0.000 0.277 647 N C -1.673 173.397 175.510 -0.735 0.000 1.078 647 N CA -0.411 52.292 53.050 -0.579 0.000 0.947 647 N CB 1.483 39.812 38.487 -0.264 0.000 1.655 647 N HN 0.336 nan 8.380 nan 0.000 0.490 680 L N 0.950 122.115 121.223 -0.097 0.000 2.466 680 L HA 0.902 5.242 4.340 -0.000 0.000 0.257 680 L C 1.096 177.896 176.870 -0.117 0.000 1.189 680 L CA -0.268 54.525 54.840 -0.077 0.000 0.813 680 L CB 1.643 43.668 42.059 -0.055 0.000 1.118 680 L HN 0.842 nan 8.230 nan 0.000 0.471 681 S N -0.582 115.065 115.700 -0.088 0.000 2.580 681 S HA 0.876 5.346 4.470 -0.000 0.000 0.281 681 S C -1.386 173.176 174.600 -0.063 0.000 1.129 681 S CA -0.244 57.900 58.200 -0.093 0.000 0.862 681 S CB 1.452 64.606 63.200 -0.076 0.000 1.090 681 S HN 1.329 nan 8.310 nan 0.000 0.451 682 A N 1.437 124.216 122.820 -0.067 0.000 2.541 682 A HA 0.738 5.058 4.320 -0.000 0.000 0.285 682 A C 0.183 177.743 177.584 -0.040 0.000 1.058 682 A CA -0.188 51.824 52.037 -0.042 0.000 0.886 682 A CB 0.405 19.387 19.000 -0.031 0.000 1.411 682 A HN 1.915 nan 8.150 nan 0.000 0.403 683 G N 0.893 109.676 108.800 -0.029 0.000 2.398 683 G HA2 0.454 4.414 3.960 -0.000 0.000 0.246 683 G HA3 0.454 4.414 3.960 -0.000 0.000 0.246 683 G C 0.552 175.443 174.900 -0.013 0.000 1.289 683 G CA -0.376 44.710 45.100 -0.023 0.000 0.869 683 G HN 0.821 nan 8.290 nan 0.000 0.543 684 L N 0.985 122.201 121.223 -0.011 0.000 2.585 684 L HA 0.154 4.494 4.340 -0.000 0.000 0.226 684 L C 1.085 177.959 176.870 0.006 0.000 1.113 684 L CA -0.060 54.780 54.840 -0.000 0.000 0.876 684 L CB -0.209 41.851 42.059 0.002 0.000 1.072 684 L HN 0.593 nan 8.230 nan 0.000 0.468 685 Q N 0.959 120.761 119.800 0.003 0.000 2.453 685 Q HA -0.216 4.124 4.340 -0.000 0.000 0.294 685 Q C -0.060 175.947 176.000 0.011 0.000 1.295 685 Q CA 0.406 56.212 55.803 0.006 0.000 0.853 685 Q CB -1.003 27.739 28.738 0.007 0.000 1.193 685 Q HN 0.276 nan 8.270 nan 0.000 0.461 686 K N -4.601 115.808 120.400 0.014 0.000 3.281 686 K HA -0.220 4.100 4.320 -0.000 0.000 0.295 686 K C -0.048 176.569 176.600 0.028 0.000 1.233 686 K CA 1.166 57.466 56.287 0.022 0.000 0.866 686 K CB -2.280 30.232 32.500 0.020 0.000 1.265 686 K HN 0.651 nan 8.250 nan 0.000 0.482 687 A N 1.792 124.628 122.820 0.027 0.000 2.492 687 A HA 0.373 4.693 4.320 -0.000 0.000 0.254 687 A C -1.932 175.678 177.584 0.043 0.000 1.091 687 A CA -0.805 51.251 52.037 0.032 0.000 0.768 687 A CB -0.044 18.974 19.000 0.031 0.000 1.028 687 A HN -0.062 nan 8.150 nan 0.000 0.498 688 P HA 0.168 nan 4.420 nan 0.000 0.262 688 P C -0.534 176.806 177.300 0.067 0.000 1.182 688 P CA 0.359 63.489 63.100 0.051 0.000 0.761 688 P CB 0.669 32.392 31.700 0.037 0.000 0.795 689 V N 3.992 123.957 119.914 0.084 0.000 2.733 689 V HA 0.370 4.490 4.120 -0.000 0.000 0.306 689 V C 0.390 176.547 176.094 0.105 0.000 1.084 689 V CA -0.363 61.996 62.300 0.099 0.000 0.905 689 V CB 1.931 33.804 31.823 0.083 0.000 1.010 689 V HN 0.547 nan 8.190 nan 0.000 0.424 690 K N 4.674 125.140 120.400 0.109 0.000 2.354 690 K HA 0.436 4.756 4.320 -0.000 0.000 0.210 690 K C -0.137 176.390 176.600 -0.122 0.000 1.184 690 K CA 0.040 56.326 56.287 -0.001 0.000 0.880 690 K CB 0.333 32.835 32.500 0.003 0.000 1.328 690 K HN 0.512 nan 8.250 nan 0.000 0.466 691 F N 1.360 121.343 119.950 0.053 0.000 2.399 691 F HA 0.459 4.986 4.527 -0.000 0.000 0.328 691 F C -0.416 175.424 175.800 0.067 0.000 1.084 691 F CA -0.922 57.112 58.000 0.057 0.000 1.053 691 F CB 1.902 40.933 39.000 0.052 0.000 1.209 691 F HN -0.303 nan 8.300 nan 0.000 0.502 692 V N 2.648 122.717 119.914 0.260 0.000 2.567 692 V HA 0.446 4.565 4.120 -0.000 0.000 0.298 692 V C -0.777 175.469 176.094 0.254 0.000 1.047 692 V CA -0.847 61.585 62.300 0.220 0.000 0.880 692 V CB 1.881 33.813 31.823 0.182 0.000 1.009 692 V HN 0.738 nan 8.190 nan 0.000 0.429 693 R N 3.561 124.210 120.500 0.248 0.000 2.513 693 R HA 0.682 5.022 4.340 -0.000 0.000 0.301 693 R C -1.809 174.686 176.300 0.327 0.000 0.968 693 R CA -0.393 55.857 56.100 0.251 0.000 0.872 693 R CB 1.723 32.122 30.300 0.165 0.000 1.177 693 R HN 0.557 nan 8.270 nan 0.000 0.444 710 V N 5.016 124.873 119.914 -0.095 0.000 2.483 710 V HA 0.450 4.570 4.120 -0.000 0.000 0.297 710 V C -0.718 175.316 176.094 -0.101 0.000 1.027 710 V CA -0.762 61.512 62.300 -0.043 0.000 0.855 710 V CB 1.794 33.582 31.823 -0.058 0.000 0.995 710 V HN 0.419 nan 8.190 nan 0.000 0.424 711 L N 5.302 126.498 121.223 -0.046 0.000 2.265 711 L HA 0.651 4.991 4.340 -0.000 0.000 0.288 711 L C 0.302 177.125 176.870 -0.078 0.000 1.058 711 L CA 0.873 55.670 54.840 -0.071 0.000 0.809 711 L CB 1.330 43.364 42.059 -0.042 0.000 1.179 711 L HN 0.719 nan 8.230 nan 0.000 0.429 712 T N 6.838 121.344 114.554 -0.081 0.000 2.902 712 T HA 0.715 5.065 4.350 -0.000 0.000 0.283 712 T C -0.140 174.514 174.700 -0.077 0.000 1.009 712 T CA -0.223 61.830 62.100 -0.079 0.000 1.051 712 T CB 0.981 69.808 68.868 -0.068 0.000 0.999 712 T HN 0.622 nan 8.240 nan 0.000 0.474 713 I N -1.148 119.367 120.570 -0.091 0.000 3.095 713 I HA 0.615 4.784 4.170 -0.000 0.000 0.310 713 I C -0.548 175.538 176.117 -0.052 0.000 1.196 713 I CA -1.259 59.993 61.300 -0.080 0.000 0.985 713 I CB 2.313 40.207 38.000 -0.177 0.000 1.250 713 I HN 0.441 nan 8.210 nan 0.000 0.446 714 E N 3.626 123.829 120.200 0.005 0.000 2.129 714 E HA 0.311 4.661 4.350 -0.000 0.000 0.283 714 E C -1.018 175.617 176.600 0.058 0.000 1.080 714 E CA -0.136 56.282 56.400 0.030 0.000 0.867 714 E CB 0.831 30.562 29.700 0.052 0.000 1.056 714 E HN 0.564 nan 8.360 nan 0.000 0.404 715 K N 0.000 120.412 120.400 0.021 0.000 2.780 715 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 715 K CA 0.000 56.306 56.287 0.032 0.000 0.838 715 K CB 0.000 32.468 32.500 -0.054 0.000 1.064 715 K HN 0.000 nan 8.250 nan 0.000 0.543