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 1xkd_1_A DATA FIRST_RESID 5 DATA SEQUENCE ASPPcTTEEL SPPPGGSLVE YSGGSLRVPD NPVVAFIRGD GVGPEVVESA DATA SEQUENCE LKVVDAAVKK VYGGSRRIVW WELLAGHLAR EKcGELLPKA TLEGIRLARV DATA SEQUENCE ALKGPLETPV XXXXRSLNVA IRQALDLYAN IRPVRYYGQP APHKYADRVD DATA SEQUENCE MVIFRENTED VYAGIEWPHD SPEAARIRRF LAEEFGISIR EDAGIGVKPI DATA SEQUENCE SRFATRRLME RALEWALRNG NTVVTIMHKG NIMKYTEGAF MRWAYEVALE DATA SEQUENCE KFREHVVTEQ EVQEKYGGVR PEGKILVNDR IADNMLQQII TRPWDYQVIV DATA SEQUENCE APNLNGDYIS DAASALVGGI GMAAGMNMGD GIAVAEPVHG TAPKYAGKDL DATA SEQUENCE INPSAEILSA SLLIGEFMGW REVKSIVEYA IRKAVQSKKV TQDLARHMPG DATA SEQUENCE VQPLRTSEYT ETLIAYIDEA DLNEVLAGKR G 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 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.632 177.584 0.080 0.000 1.274 5 A CA 0.000 52.090 52.037 0.089 0.000 0.836 5 A CB 0.000 19.067 19.000 0.112 0.000 0.831 6 S N 0.311 116.054 115.700 0.073 0.000 2.935 6 S HA 0.019 4.489 4.470 -0.000 0.000 0.851 6 S C -2.903 171.727 174.600 0.050 0.000 0.902 6 S CA 0.318 58.547 58.200 0.048 0.000 1.428 6 S CB -1.014 62.208 63.200 0.037 0.000 1.024 6 S HN 0.845 nan 8.310 nan 0.000 0.334 7 P HA 0.366 nan 4.420 nan 0.000 0.271 7 P C -2.369 174.914 177.300 -0.028 0.000 1.218 7 P CA -1.015 62.065 63.100 -0.034 0.000 0.780 7 P CB 0.083 31.711 31.700 -0.120 0.000 0.901 8 P HA 0.171 nan 4.420 nan 0.000 0.282 8 P C -0.364 176.905 177.300 -0.051 0.000 1.249 8 P CA -0.228 62.864 63.100 -0.013 0.000 0.806 8 P CB 0.989 32.703 31.700 0.023 0.000 0.984 9 c N 0.308 118.891 118.600 -0.028 0.000 3.097 9 c HA 0.190 4.760 4.570 -0.000 0.000 0.335 9 c C 1.078 175.154 174.090 -0.023 0.000 1.283 9 c CA 0.649 56.958 56.329 -0.035 0.000 1.778 9 c CB -0.231 42.263 42.510 -0.026 0.000 2.365 9 c HN 0.701 nan 8.230 nan 0.000 0.627 10 T N -3.061 111.489 114.554 -0.006 0.000 2.906 10 T HA 0.302 4.652 4.350 -0.000 0.000 0.295 10 T C 0.664 175.375 174.700 0.019 0.000 1.075 10 T CA -0.089 62.013 62.100 0.004 0.000 1.005 10 T CB 1.307 70.181 68.868 0.009 0.000 1.136 10 T HN -0.040 nan 8.240 nan 0.000 0.498 11 T N 1.436 116.002 114.554 0.021 0.000 2.699 11 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 11 T C 1.506 176.237 174.700 0.053 0.000 1.036 11 T CA 2.271 64.393 62.100 0.038 0.000 1.147 11 T CB -0.420 68.466 68.868 0.030 0.000 0.862 11 T HN 0.824 nan 8.240 nan 0.000 0.446 12 E N 0.934 121.159 120.200 0.041 0.000 2.274 12 E HA -0.032 4.318 4.350 -0.000 0.000 0.194 12 E C 1.925 178.556 176.600 0.051 0.000 0.996 12 E CA 0.650 57.074 56.400 0.041 0.000 0.840 12 E CB -0.109 29.608 29.700 0.029 0.000 0.772 12 E HN 0.542 nan 8.360 nan 0.000 0.491 13 E N 0.106 120.340 120.200 0.057 0.000 2.489 13 E HA 0.061 4.411 4.350 -0.000 0.000 0.193 13 E C -0.205 176.469 176.600 0.124 0.000 1.057 13 E CA -0.158 56.284 56.400 0.071 0.000 0.866 13 E CB 0.219 29.951 29.700 0.053 0.000 0.916 13 E HN 0.217 nan 8.360 nan 0.000 0.500 14 L N 1.355 122.667 121.223 0.149 0.000 2.385 14 L HA 0.108 4.448 4.340 -0.000 0.000 0.281 14 L C -0.080 176.944 176.870 0.257 0.000 1.106 14 L CA 0.026 55.036 54.840 0.284 0.000 0.856 14 L CB 0.779 42.997 42.059 0.266 0.000 1.186 14 L HN -0.108 nan 8.230 nan 0.000 0.453 15 S N 4.976 120.848 115.700 0.286 0.000 2.737 15 S HA 0.448 4.918 4.470 -0.000 0.000 0.269 15 S C -2.470 171.883 174.600 -0.412 0.000 1.150 15 S CA -1.110 57.075 58.200 -0.024 0.000 1.077 15 S CB 1.342 64.545 63.200 0.006 0.000 1.075 15 S HN 0.238 nan 8.310 nan 0.000 0.476 16 P HA 0.267 nan 4.420 nan 0.000 0.267 16 P C -2.580 174.302 177.300 -0.697 0.000 1.200 16 P CA -0.868 61.338 63.100 -1.490 0.000 0.772 16 P CB -0.186 30.894 31.700 -1.033 0.000 0.855 17 P HA 0.227 nan 4.420 nan 0.000 0.274 17 P C -2.346 174.874 177.300 -0.134 0.000 1.237 17 P CA -1.670 61.310 63.100 -0.201 0.000 0.793 17 P CB -0.994 30.680 31.700 -0.042 0.000 0.977 18 P HA 0.052 nan 4.420 nan 0.000 0.268 18 P C 0.814 178.095 177.300 -0.031 0.000 1.205 18 P CA 0.721 63.794 63.100 -0.045 0.000 0.771 18 P CB 0.186 31.876 31.700 -0.016 0.000 0.858 19 G N 1.414 110.194 108.800 -0.034 0.000 2.217 19 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.246 19 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.246 19 G C 0.440 175.321 174.900 -0.031 0.000 0.990 19 G CA -0.081 45.006 45.100 -0.022 0.000 0.627 19 G HN 0.932 nan 8.290 nan 0.000 0.522 20 G N -0.414 108.352 108.800 -0.057 0.000 2.410 20 G HA2 0.654 4.614 3.960 -0.000 0.000 0.330 20 G HA3 0.654 4.614 3.960 -0.000 0.000 0.330 20 G C -0.347 174.507 174.900 -0.076 0.000 1.142 20 G CA 0.556 45.615 45.100 -0.068 0.000 0.902 20 G HN 0.845 nan 8.290 nan 0.000 0.491 21 S N 0.038 115.702 115.700 -0.060 0.000 2.513 21 S HA 0.448 4.918 4.470 -0.000 0.000 0.299 21 S C -0.561 174.009 174.600 -0.050 0.000 1.087 21 S CA -0.635 57.533 58.200 -0.053 0.000 1.012 21 S CB 1.686 64.868 63.200 -0.030 0.000 1.044 21 S HN 0.404 nan 8.310 nan 0.000 0.485 22 L N 2.838 124.034 121.223 -0.045 0.000 2.453 22 L HA 0.215 4.555 4.340 -0.000 0.000 0.272 22 L C 0.020 176.889 176.870 -0.003 0.000 1.182 22 L CA 0.146 54.974 54.840 -0.020 0.000 0.858 22 L CB 0.237 42.291 42.059 -0.009 0.000 1.120 22 L HN 0.472 nan 8.230 nan 0.000 0.474 23 V N 4.692 124.610 119.914 0.005 0.000 2.585 23 V HA 0.031 4.151 4.120 -0.000 0.000 0.296 23 V C 0.576 176.700 176.094 0.050 0.000 1.035 23 V CA -0.280 62.025 62.300 0.009 0.000 1.084 23 V CB 0.457 32.280 31.823 0.000 0.000 0.953 23 V HN 0.725 nan 8.190 nan 0.000 0.483 24 E N 3.082 123.315 120.200 0.055 0.000 2.202 24 E HA 0.456 4.806 4.350 -0.000 0.000 0.272 24 E C -1.451 175.250 176.600 0.168 0.000 0.951 24 E CA -0.665 55.788 56.400 0.089 0.000 0.813 24 E CB 2.078 31.807 29.700 0.048 0.000 1.151 24 E HN 0.618 nan 8.360 nan 0.000 0.398 25 Y N 1.292 121.608 120.300 0.027 0.000 2.445 25 Y HA 0.354 4.904 4.550 -0.000 0.000 0.332 25 Y C -1.431 174.491 175.900 0.036 0.000 1.037 25 Y CA -0.502 57.619 58.100 0.035 0.000 1.296 25 Y CB 0.954 39.452 38.460 0.064 0.000 1.099 25 Y HN 0.365 nan 8.280 nan 0.000 0.496 26 S N 3.168 118.700 115.700 -0.281 0.000 2.548 26 S HA 0.781 5.251 4.470 -0.000 0.000 0.286 26 S C 0.229 174.640 174.600 -0.315 0.000 1.098 26 S CA -0.253 57.783 58.200 -0.273 0.000 0.930 26 S CB 1.669 64.802 63.200 -0.112 0.000 1.070 26 S HN 1.310 nan 8.310 nan 0.000 0.480 27 G N 2.076 110.716 108.800 -0.267 0.000 2.574 27 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.286 27 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.286 27 G C 0.593 175.292 174.900 -0.334 0.000 1.212 27 G CA 0.069 45.042 45.100 -0.213 0.000 0.979 27 G HN 1.476 nan 8.290 nan 0.000 0.557 28 G N -0.376 108.320 108.800 -0.172 0.000 3.707 28 G HA2 0.499 4.459 3.960 -0.000 0.000 0.286 28 G HA3 0.499 4.459 3.960 -0.000 0.000 0.286 28 G C 0.170 175.107 174.900 0.062 0.000 1.112 28 G CA 1.308 46.378 45.100 -0.050 0.000 0.861 28 G HN 0.915 nan 8.290 nan 0.000 0.534 29 S N -0.050 115.610 115.700 -0.067 0.000 2.454 29 S HA 0.528 4.998 4.470 -0.000 0.000 0.306 29 S C -0.832 173.846 174.600 0.131 0.000 1.100 29 S CA -0.452 57.771 58.200 0.039 0.000 1.087 29 S CB 1.743 64.933 63.200 -0.015 0.000 1.019 29 S HN 0.212 nan 8.310 nan 0.000 0.480 30 L N 4.659 125.967 121.223 0.141 0.000 2.265 30 L HA 0.512 4.852 4.340 -0.000 0.000 0.288 30 L C 0.167 177.041 176.870 0.006 0.000 1.058 30 L CA -0.003 54.891 54.840 0.090 0.000 0.809 30 L CB 0.596 42.598 42.059 -0.095 0.000 1.179 30 L HN 0.552 nan 8.230 nan 0.000 0.429 31 R N 4.648 125.160 120.500 0.019 0.000 2.288 31 R HA 0.561 4.901 4.340 -0.000 0.000 0.326 31 R C -1.811 174.482 176.300 -0.011 0.000 0.959 31 R CA -0.555 55.546 56.100 0.002 0.000 0.834 31 R CB 1.149 31.454 30.300 0.009 0.000 1.157 31 R HN 0.492 nan 8.270 nan 0.000 0.470 32 V N 7.447 127.351 119.914 -0.018 0.000 2.334 32 V HA 0.351 4.471 4.120 -0.000 0.000 0.281 32 V C -1.721 174.404 176.094 0.053 0.000 1.016 32 V CA -1.584 60.698 62.300 -0.030 0.000 0.832 32 V CB 1.230 32.989 31.823 -0.107 0.000 0.999 32 V HN 0.789 nan 8.190 nan 0.000 0.439 33 P HA 0.308 nan 4.420 nan 0.000 0.275 33 P C 0.125 177.524 177.300 0.165 0.000 1.266 33 P CA -0.364 62.775 63.100 0.066 0.000 0.793 33 P CB 1.180 32.894 31.700 0.024 0.000 1.074 34 D N -0.672 119.795 120.400 0.111 0.000 2.269 34 D HA -0.075 4.565 4.640 -0.000 0.000 0.208 34 D C 0.578 176.980 176.300 0.169 0.000 0.963 34 D CA 1.142 55.206 54.000 0.107 0.000 0.864 34 D CB -0.250 40.526 40.800 -0.039 0.000 0.936 34 D HN 0.462 nan 8.370 nan 0.000 0.505 35 N N 0.409 119.172 118.700 0.104 0.000 2.735 35 N HA 0.139 4.879 4.740 -0.000 0.000 0.312 35 N C -2.951 172.564 175.510 0.009 0.000 1.843 35 N CA -1.421 51.667 53.050 0.063 0.000 0.945 35 N CB 0.841 39.340 38.487 0.020 0.000 1.299 35 N HN -0.028 nan 8.380 nan 0.000 0.489 36 P HA 0.076 nan 4.420 nan 0.000 0.276 36 P C 0.211 177.422 177.300 -0.149 0.000 1.230 36 P CA -0.285 62.751 63.100 -0.107 0.000 0.776 36 P CB 1.547 33.108 31.700 -0.232 0.000 0.888 37 V N 4.630 124.486 119.914 -0.097 0.000 2.479 37 V HA 0.044 4.164 4.120 -0.000 0.000 0.281 37 V C 0.631 176.706 176.094 -0.032 0.000 1.031 37 V CA 0.284 62.553 62.300 -0.051 0.000 1.038 37 V CB 0.782 32.589 31.823 -0.027 0.000 0.981 37 V HN 0.276 nan 8.190 nan 0.000 0.478 38 V N 5.060 124.938 119.914 -0.060 0.000 2.444 38 V HA 0.666 4.786 4.120 -0.000 0.000 0.294 38 V C 0.423 176.719 176.094 0.337 0.000 1.022 38 V CA -0.715 61.583 62.300 -0.004 0.000 0.850 38 V CB 1.638 33.252 31.823 -0.349 0.000 0.992 38 V HN 0.967 nan 8.190 nan 0.000 0.426 39 A N 5.447 128.472 122.820 0.341 0.000 2.371 39 A HA 0.844 5.164 4.320 -0.000 0.000 0.257 39 A C -0.580 177.268 177.584 0.440 0.000 1.089 39 A CA -0.085 52.141 52.037 0.315 0.000 0.794 39 A CB 0.217 19.240 19.000 0.038 0.000 1.029 39 A HN 1.139 nan 8.150 nan 0.000 0.488 40 F N -0.342 119.713 119.950 0.175 0.000 2.588 40 F HA 0.803 5.330 4.527 -0.000 0.000 0.310 40 F C -1.104 174.689 175.800 -0.012 0.000 1.082 40 F CA -1.252 56.809 58.000 0.102 0.000 0.929 40 F CB 1.448 40.497 39.000 0.082 0.000 1.254 40 F HN 0.312 nan 8.300 nan 0.000 0.455 41 I N 4.202 124.775 120.570 0.004 0.000 2.410 41 I HA 0.407 4.577 4.170 -0.000 0.000 0.286 41 I C 0.822 176.953 176.117 0.023 0.000 1.009 41 I CA -0.733 60.502 61.300 -0.107 0.000 1.111 41 I CB 2.064 40.009 38.000 -0.090 0.000 1.262 41 I HN 0.796 nan 8.210 nan 0.000 0.443 42 R N 3.682 124.188 120.500 0.009 0.000 2.081 42 R HA 0.008 4.348 4.340 -0.000 0.000 0.235 42 R C 1.318 177.656 176.300 0.063 0.000 1.131 42 R CA 0.981 57.131 56.100 0.084 0.000 0.960 42 R CB -0.225 30.116 30.300 0.069 0.000 0.856 42 R HN 0.983 nan 8.270 nan 0.000 0.436 43 G N 0.775 109.590 108.800 0.025 0.000 2.525 43 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.248 43 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.248 43 G C -0.893 174.109 174.900 0.169 0.000 1.238 43 G CA 0.116 45.251 45.100 0.058 0.000 0.926 43 G HN 0.309 nan 8.290 nan 0.000 0.574 44 D N 0.268 120.760 120.400 0.155 0.000 2.450 44 D HA 0.614 5.254 4.640 -0.000 0.000 0.238 44 D C 1.203 177.539 176.300 0.060 0.000 1.020 44 D CA 1.111 55.206 54.000 0.158 0.000 1.010 44 D CB 0.805 41.672 40.800 0.112 0.000 1.342 44 D HN 1.787 nan 8.370 nan 0.000 0.530 45 G N 0.020 108.801 108.800 -0.033 0.000 2.665 45 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.326 45 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.326 45 G C 1.163 176.078 174.900 0.026 0.000 1.231 45 G CA 1.491 46.582 45.100 -0.015 0.000 0.992 45 G HN 0.964 nan 8.290 nan 0.000 0.549 46 V N 0.124 120.072 119.914 0.057 0.000 3.573 46 V HA 0.438 4.558 4.120 -0.000 0.000 0.270 46 V C 2.651 178.793 176.094 0.081 0.000 1.221 46 V CA 1.700 64.037 62.300 0.062 0.000 1.163 46 V CB -0.780 31.069 31.823 0.043 0.000 0.847 46 V HN 1.733 nan 8.190 nan 0.000 0.468 47 G N 1.540 110.398 108.800 0.096 0.000 2.553 47 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 47 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 47 G C -0.030 174.921 174.900 0.084 0.000 1.195 47 G CA 1.574 46.732 45.100 0.097 0.000 0.779 47 G HN 0.600 nan 8.290 nan 0.000 0.577 48 P HA -0.060 nan 4.420 nan 0.000 0.216 48 P C 1.633 178.962 177.300 0.048 0.000 1.153 48 P CA 1.585 64.736 63.100 0.085 0.000 0.858 48 P CB -0.053 31.711 31.700 0.106 0.000 0.789 49 E N -0.633 119.593 120.200 0.043 0.000 2.051 49 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 49 E C 1.943 178.550 176.600 0.012 0.000 0.991 49 E CA 1.669 58.083 56.400 0.023 0.000 0.799 49 E CB -0.593 29.121 29.700 0.024 0.000 0.748 49 E HN 0.177 nan 8.360 nan 0.000 0.449 50 V N -1.762 118.169 119.914 0.028 0.000 2.591 50 V HA -0.100 4.020 4.120 -0.000 0.000 0.249 50 V C 2.132 178.221 176.094 -0.008 0.000 1.053 50 V CA 0.830 63.147 62.300 0.029 0.000 1.068 50 V CB -0.353 31.520 31.823 0.082 0.000 0.689 50 V HN 0.031 nan 8.190 nan 0.000 0.462 51 V N 0.848 120.755 119.914 -0.013 0.000 2.307 51 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 51 V C 2.743 178.725 176.094 -0.187 0.000 1.045 51 V CA 2.519 64.775 62.300 -0.073 0.000 1.024 51 V CB -0.690 31.140 31.823 0.012 0.000 0.651 51 V HN 0.720 nan 8.190 nan 0.000 0.449 52 E N 0.082 120.203 120.200 -0.132 0.000 2.070 52 E HA -0.291 4.059 4.350 -0.000 0.000 0.197 52 E C 2.423 178.918 176.600 -0.174 0.000 1.004 52 E CA 1.791 58.089 56.400 -0.170 0.000 0.805 52 E CB -0.225 29.430 29.700 -0.076 0.000 0.744 52 E HN 0.549 nan 8.360 nan 0.000 0.451 53 S N -0.335 115.302 115.700 -0.106 0.000 2.368 53 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 53 S C 2.070 176.605 174.600 -0.108 0.000 1.030 53 S CA 1.313 59.464 58.200 -0.081 0.000 0.999 53 S CB -0.301 62.887 63.200 -0.020 0.000 0.844 53 S HN 0.422 nan 8.310 nan 0.000 0.459 54 A N 1.820 124.566 122.820 -0.124 0.000 1.933 54 A HA 0.067 4.387 4.320 -0.000 0.000 0.218 54 A C 2.265 179.718 177.584 -0.218 0.000 1.175 54 A CA 1.468 53.429 52.037 -0.126 0.000 0.628 54 A CB -0.816 18.120 19.000 -0.106 0.000 0.814 54 A HN 0.597 nan 8.150 nan 0.000 0.444 55 L N -0.823 120.131 121.223 -0.449 0.000 2.046 55 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 55 L C 2.597 179.314 176.870 -0.255 0.000 1.077 55 L CA 1.786 56.218 54.840 -0.679 0.000 0.747 55 L CB -0.656 40.716 42.059 -1.145 0.000 0.896 55 L HN 0.396 nan 8.230 nan 0.000 0.432 56 K N -0.193 120.092 120.400 -0.191 0.000 2.057 56 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 56 K C 2.080 178.662 176.600 -0.030 0.000 1.050 56 K CA 1.026 57.262 56.287 -0.086 0.000 0.935 56 K CB -0.076 32.371 32.500 -0.089 0.000 0.715 56 K HN 0.121 nan 8.250 nan 0.000 0.439 57 V N 0.844 120.734 119.914 -0.039 0.000 2.379 57 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 57 V C 2.251 178.376 176.094 0.051 0.000 1.044 57 V CA 1.246 63.538 62.300 -0.013 0.000 1.036 57 V CB -0.093 31.707 31.823 -0.039 0.000 0.664 57 V HN 0.060 nan 8.190 nan 0.000 0.453 58 V N 0.136 120.106 119.914 0.093 0.000 2.307 58 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 58 V C 2.288 178.522 176.094 0.234 0.000 1.045 58 V CA 2.136 64.553 62.300 0.197 0.000 1.024 58 V CB -0.609 31.397 31.823 0.304 0.000 0.651 58 V HN 0.546 nan 8.190 nan 0.000 0.449 59 D N 0.492 121.040 120.400 0.245 0.000 2.123 59 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 59 D C 2.200 178.583 176.300 0.140 0.000 0.992 59 D CA 1.703 55.842 54.000 0.231 0.000 0.833 59 D CB -0.370 40.562 40.800 0.221 0.000 0.954 59 D HN 0.441 nan 8.370 nan 0.000 0.455 60 A N 0.863 123.737 122.820 0.090 0.000 1.933 60 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 60 A C 2.299 179.914 177.584 0.051 0.000 1.175 60 A CA 2.175 54.245 52.037 0.055 0.000 0.628 60 A CB -0.717 18.299 19.000 0.027 0.000 0.814 60 A HN 0.235 nan 8.150 nan 0.000 0.444 61 A N -0.138 122.721 122.820 0.066 0.000 1.858 61 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 61 A C 2.423 180.015 177.584 0.013 0.000 1.190 61 A CA 2.295 54.358 52.037 0.044 0.000 0.617 61 A CB -1.324 17.723 19.000 0.077 0.000 0.827 61 A HN 1.235 nan 8.150 nan 0.000 0.443 62 V N -0.336 119.642 119.914 0.108 0.000 2.407 62 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 62 V C 2.170 178.305 176.094 0.067 0.000 1.055 62 V CA 2.792 65.174 62.300 0.137 0.000 1.049 62 V CB -0.727 31.329 31.823 0.388 0.000 0.662 62 V HN 0.586 nan 8.190 nan 0.000 0.455 63 K N 0.316 120.759 120.400 0.071 0.000 2.063 63 K HA -0.283 4.037 4.320 -0.000 0.000 0.208 63 K C 2.334 178.928 176.600 -0.010 0.000 1.048 63 K CA 2.210 58.523 56.287 0.043 0.000 0.928 63 K CB -0.221 32.308 32.500 0.048 0.000 0.713 63 K HN 0.540 nan 8.250 nan 0.000 0.442 64 K N 0.738 121.116 120.400 -0.037 0.000 2.057 64 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 64 K C 1.848 178.367 176.600 -0.136 0.000 1.049 64 K CA 1.763 58.011 56.287 -0.065 0.000 0.931 64 K CB -0.155 32.314 32.500 -0.051 0.000 0.714 64 K HN 0.174 nan 8.250 nan 0.000 0.440 65 V N -2.100 117.656 119.914 -0.264 0.000 3.052 65 V HA 0.068 4.188 4.120 -0.000 0.000 0.254 65 V C 1.062 176.883 176.094 -0.456 0.000 1.100 65 V CA 0.762 62.797 62.300 -0.443 0.000 1.112 65 V CB -0.651 30.769 31.823 -0.671 0.000 0.738 65 V HN 0.174 nan 8.190 nan 0.000 0.469 66 Y N 1.608 121.842 120.300 -0.109 0.000 2.481 66 Y HA 0.651 5.201 4.550 0.000 0.000 0.247 66 Y C 1.955 177.789 175.900 -0.110 0.000 1.151 66 Y CA -0.958 57.048 58.100 -0.155 0.000 1.238 66 Y CB -0.174 38.125 38.460 -0.268 0.000 1.179 66 Y HN 0.343 nan 8.280 nan 0.000 0.524 67 G N 1.061 109.877 108.800 0.026 0.000 2.421 67 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.300 67 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.300 67 G C 1.362 176.272 174.900 0.018 0.000 0.974 67 G CA 0.737 45.844 45.100 0.011 0.000 1.062 67 G HN 1.131 nan 8.290 nan 0.000 0.514 68 G N -1.592 107.227 108.800 0.030 0.000 2.189 68 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.267 68 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.267 68 G C 1.530 176.432 174.900 0.002 0.000 0.975 68 G CA 1.081 46.194 45.100 0.022 0.000 0.644 68 G HN 1.513 nan 8.290 nan 0.000 0.537 69 S N -0.310 115.382 115.700 -0.013 0.000 2.428 69 S HA 0.135 4.605 4.470 -0.000 0.000 0.230 69 S C 1.330 175.865 174.600 -0.108 0.000 1.014 69 S CA 0.914 59.075 58.200 -0.064 0.000 0.957 69 S CB 0.085 63.226 63.200 -0.098 0.000 0.784 69 S HN 0.675 nan 8.310 nan 0.000 0.499 70 R N 0.204 120.639 120.500 -0.108 0.000 2.795 70 R HA 0.704 5.044 4.340 -0.000 0.000 0.275 70 R C -0.699 175.624 176.300 0.039 0.000 0.981 70 R CA -0.686 55.323 56.100 -0.151 0.000 0.917 70 R CB 1.988 31.876 30.300 -0.687 0.000 1.202 70 R HN 0.013 nan 8.270 nan 0.000 0.469 71 R N 1.880 122.469 120.500 0.150 0.000 2.868 71 R HA 0.229 4.569 4.340 -0.000 0.000 0.262 71 R C -1.403 174.970 176.300 0.122 0.000 1.163 71 R CA -0.488 55.706 56.100 0.155 0.000 1.105 71 R CB 1.156 31.509 30.300 0.088 0.000 1.270 71 R HN 0.568 nan 8.270 nan 0.000 0.437 72 I N 3.861 124.453 120.570 0.037 0.000 2.529 72 I HA 0.134 4.304 4.170 -0.000 0.000 0.284 72 I C 0.138 176.050 176.117 -0.342 0.000 1.082 72 I CA -0.318 60.805 61.300 -0.295 0.000 1.406 72 I CB 1.506 39.084 38.000 -0.702 0.000 1.405 72 I HN 0.219 nan 8.210 nan 0.000 0.548 73 V N 6.394 126.133 119.914 -0.292 0.000 2.304 73 V HA 0.155 4.275 4.120 -0.000 0.000 0.269 73 V C -0.507 175.547 176.094 -0.068 0.000 1.036 73 V CA -0.663 61.567 62.300 -0.117 0.000 0.840 73 V CB -0.309 31.486 31.823 -0.046 0.000 1.036 73 V HN 0.567 nan 8.190 nan 0.000 0.466 74 W N 4.097 125.501 121.300 0.174 0.000 2.253 74 W HA 0.292 4.952 4.660 -0.000 0.000 0.322 74 W C -0.105 176.721 176.519 0.512 0.000 1.342 74 W CA -0.003 57.523 57.345 0.303 0.000 1.218 74 W CB 0.657 30.179 29.460 0.103 0.000 1.205 74 W HN 0.623 nan 8.180 nan 0.000 0.551 75 W N 5.754 127.406 121.300 0.586 0.000 2.424 75 W HA 0.326 4.986 4.660 -0.000 0.000 0.318 75 W C -0.718 175.832 176.519 0.052 0.000 1.016 75 W CA -2.175 55.340 57.345 0.285 0.000 1.268 75 W CB 0.641 30.187 29.460 0.143 0.000 1.297 75 W HN 0.340 nan 8.180 nan 0.000 0.428 76 E N 5.275 125.421 120.200 -0.090 0.000 2.290 76 E HA 0.318 4.668 4.350 -0.000 0.000 0.277 76 E C -0.729 175.473 176.600 -0.665 0.000 1.035 76 E CA 0.014 55.901 56.400 -0.855 0.000 0.873 76 E CB 0.586 29.865 29.700 -0.703 0.000 1.029 76 E HN 0.537 nan 8.360 nan 0.000 0.419 77 L N 4.403 125.218 121.223 -0.680 0.000 2.323 77 L HA 0.528 4.868 4.340 -0.000 0.000 0.265 77 L C -0.577 176.069 176.870 -0.375 0.000 1.012 77 L CA -1.145 53.386 54.840 -0.515 0.000 0.820 77 L CB 1.390 43.135 42.059 -0.523 0.000 1.334 77 L HN 0.447 nan 8.230 nan 0.000 0.427 78 L N 1.501 122.560 121.223 -0.274 0.000 2.329 78 L HA 0.897 5.237 4.340 -0.000 0.000 0.279 78 L C -0.362 176.411 176.870 -0.162 0.000 1.014 78 L CA -0.471 54.243 54.840 -0.209 0.000 0.814 78 L CB 1.801 43.754 42.059 -0.177 0.000 1.257 78 L HN 0.712 nan 8.230 nan 0.000 0.424 79 A N 1.856 124.594 122.820 -0.136 0.000 2.547 79 A HA 0.862 5.182 4.320 -0.000 0.000 0.297 79 A C -0.077 177.465 177.584 -0.070 0.000 1.056 79 A CA 0.148 52.129 52.037 -0.093 0.000 0.688 79 A CB 1.550 20.503 19.000 -0.079 0.000 1.282 79 A HN 1.072 nan 8.150 nan 0.000 0.400 80 G N 1.757 110.532 108.800 -0.042 0.000 2.481 80 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.230 80 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.230 80 G C 0.899 175.803 174.900 0.006 0.000 1.210 80 G CA 0.828 45.932 45.100 0.008 0.000 0.936 80 G HN 2.366 nan 8.290 nan 0.000 0.583 81 H N 1.023 120.082 119.070 -0.020 0.000 2.421 81 H HA 0.091 4.647 4.556 -0.000 0.000 0.298 81 H C 2.712 178.029 175.328 -0.019 0.000 1.087 81 H CA 1.850 57.888 56.048 -0.016 0.000 1.330 81 H CB -0.349 29.407 29.762 -0.010 0.000 1.388 81 H HN 0.432 nan 8.280 nan 0.000 0.526 82 L N 0.627 121.448 121.223 -0.670 0.000 2.109 82 L HA -0.025 4.315 4.340 -0.000 0.000 0.207 82 L C 3.177 179.919 176.870 -0.213 0.000 1.086 82 L CA 0.851 55.417 54.840 -0.457 0.000 0.760 82 L CB -0.483 41.307 42.059 -0.448 0.000 0.910 82 L HN 0.364 nan 8.230 nan 0.000 0.437 83 A N -0.061 122.658 122.820 -0.168 0.000 1.902 83 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 83 A C 2.425 179.966 177.584 -0.071 0.000 1.181 83 A CA 1.472 53.445 52.037 -0.108 0.000 0.623 83 A CB -0.499 18.445 19.000 -0.094 0.000 0.818 83 A HN 0.280 nan 8.150 nan 0.000 0.443 84 R N -0.419 120.050 120.500 -0.051 0.000 2.080 84 R HA -0.190 4.150 4.340 -0.000 0.000 0.236 84 R C 2.173 178.459 176.300 -0.022 0.000 1.137 84 R CA 1.988 58.075 56.100 -0.022 0.000 0.943 84 R CB -0.310 29.994 30.300 0.007 0.000 0.846 84 R HN 0.673 nan 8.270 nan 0.000 0.431 85 E N -0.174 120.009 120.200 -0.028 0.000 2.058 85 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 85 E C 1.955 178.538 176.600 -0.028 0.000 0.997 85 E CA 1.798 58.186 56.400 -0.020 0.000 0.801 85 E CB 0.066 29.754 29.700 -0.021 0.000 0.746 85 E HN 0.134 nan 8.360 nan 0.000 0.450 86 K N -0.953 119.419 120.400 -0.047 0.000 2.166 86 K HA 0.029 4.349 4.320 -0.000 0.000 0.201 86 K C 1.411 177.992 176.600 -0.033 0.000 1.052 86 K CA 1.068 57.330 56.287 -0.041 0.000 0.969 86 K CB 0.296 32.762 32.500 -0.056 0.000 0.761 86 K HN 0.145 nan 8.250 nan 0.000 0.459 87 c N -1.508 117.069 118.600 -0.038 0.000 3.097 87 c HA 0.450 5.019 4.570 -0.000 0.000 0.335 87 c C 1.365 175.441 174.090 -0.023 0.000 1.283 87 c CA -0.089 56.221 56.329 -0.032 0.000 1.778 87 c CB 0.316 42.800 42.510 -0.043 0.000 2.365 87 c HN 0.726 nan 8.230 nan 0.000 0.627 88 G N 1.828 110.615 108.800 -0.022 0.000 2.175 88 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.244 88 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.244 88 G C -0.220 174.671 174.900 -0.015 0.000 0.982 88 G CA 0.485 45.576 45.100 -0.014 0.000 0.641 88 G HN 0.718 nan 8.290 nan 0.000 0.527 89 E N -0.731 119.457 120.200 -0.021 0.000 2.383 89 E HA 0.703 5.053 4.350 -0.000 0.000 0.275 89 E C 0.868 177.452 176.600 -0.026 0.000 0.918 89 E CA -1.126 55.262 56.400 -0.020 0.000 0.764 89 E CB 1.032 30.720 29.700 -0.020 0.000 1.252 89 E HN 0.018 nan 8.360 nan 0.000 0.449 90 L N 0.466 121.676 121.223 -0.021 0.000 2.156 90 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 90 L C 0.729 177.577 176.870 -0.036 0.000 1.095 90 L CA 0.852 55.678 54.840 -0.023 0.000 0.770 90 L CB 0.019 42.072 42.059 -0.011 0.000 0.914 90 L HN 0.457 nan 8.230 nan 0.000 0.439 91 L N 0.579 121.780 121.223 -0.037 0.000 2.490 91 L HA 0.477 4.817 4.340 -0.000 0.000 0.256 91 L C -2.579 174.263 176.870 -0.045 0.000 1.089 91 L CA -1.818 52.994 54.840 -0.045 0.000 0.916 91 L CB 0.710 42.747 42.059 -0.037 0.000 1.188 91 L HN -0.248 nan 8.230 nan 0.000 0.476 92 P HA 0.159 nan 4.420 nan 0.000 0.268 92 P C 0.280 177.550 177.300 -0.050 0.000 1.205 92 P CA -0.190 62.880 63.100 -0.050 0.000 0.771 92 P CB 0.674 32.337 31.700 -0.061 0.000 0.858 93 K N 2.403 122.782 120.400 -0.035 0.000 2.152 93 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 93 K C 1.846 178.424 176.600 -0.037 0.000 1.048 93 K CA 1.774 58.044 56.287 -0.029 0.000 0.933 93 K CB -1.202 31.290 32.500 -0.014 0.000 0.721 93 K HN 0.515 nan 8.250 nan 0.000 0.447 94 A N 0.985 123.780 122.820 -0.042 0.000 1.978 94 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 94 A C 2.306 179.825 177.584 -0.108 0.000 1.170 94 A CA 2.176 54.181 52.037 -0.052 0.000 0.636 94 A CB -0.863 18.110 19.000 -0.044 0.000 0.810 94 A HN 0.333 nan 8.150 nan 0.000 0.448 95 T N 0.418 114.895 114.554 -0.128 0.000 2.737 95 T HA -0.055 4.295 4.350 -0.000 0.000 0.265 95 T C 1.813 176.424 174.700 -0.148 0.000 1.038 95 T CA 1.383 63.375 62.100 -0.180 0.000 1.144 95 T CB -0.361 68.414 68.868 -0.155 0.000 0.866 95 T HN 0.398 nan 8.240 nan 0.000 0.434 96 L N 0.713 121.881 121.223 -0.092 0.000 2.017 96 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 96 L C 2.730 179.574 176.870 -0.044 0.000 1.073 96 L CA 1.575 56.379 54.840 -0.060 0.000 0.745 96 L CB -0.623 41.414 42.059 -0.036 0.000 0.894 96 L HN 0.324 nan 8.230 nan 0.000 0.432 97 E N 0.033 120.213 120.200 -0.034 0.000 2.110 97 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 97 E C 2.217 178.822 176.600 0.008 0.000 0.988 97 E CA 0.957 57.358 56.400 0.002 0.000 0.804 97 E CB -0.281 29.430 29.700 0.017 0.000 0.745 97 E HN 0.567 nan 8.360 nan 0.000 0.458 98 G N 1.365 110.114 108.800 -0.085 0.000 2.421 98 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 98 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 98 G C 1.597 176.430 174.900 -0.111 0.000 1.171 98 G CA 0.641 45.615 45.100 -0.209 0.000 0.775 98 G HN 0.120 nan 8.290 nan 0.000 0.543 99 I N -0.037 120.468 120.570 -0.109 0.000 2.179 99 I HA -0.143 4.027 4.170 -0.000 0.000 0.242 99 I C 2.839 178.974 176.117 0.029 0.000 1.088 99 I CA 1.120 62.397 61.300 -0.039 0.000 1.357 99 I CB -0.268 37.698 38.000 -0.057 0.000 1.051 99 I HN 0.085 nan 8.210 nan 0.000 0.409 100 R N 0.651 121.169 120.500 0.030 0.000 2.105 100 R HA -0.223 4.117 4.340 -0.000 0.000 0.239 100 R C 2.313 178.673 176.300 0.099 0.000 1.135 100 R CA 1.584 57.719 56.100 0.058 0.000 0.967 100 R CB -0.212 30.119 30.300 0.052 0.000 0.861 100 R HN 0.230 nan 8.270 nan 0.000 0.442 101 L N -0.052 121.252 121.223 0.135 0.000 2.072 101 L HA 0.008 4.348 4.340 -0.000 0.000 0.205 101 L C 2.167 179.155 176.870 0.197 0.000 1.079 101 L CA 2.026 56.974 54.840 0.180 0.000 0.752 101 L CB -0.448 41.769 42.059 0.262 0.000 0.906 101 L HN 0.178 nan 8.230 nan 0.000 0.436 102 A N -1.498 121.471 122.820 0.248 0.000 1.968 102 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 102 A C 1.581 179.249 177.584 0.140 0.000 1.169 102 A CA 1.128 53.305 52.037 0.233 0.000 0.638 102 A CB -0.108 19.082 19.000 0.316 0.000 0.812 102 A HN 0.525 nan 8.150 nan 0.000 0.446 103 R N -2.802 117.766 120.500 0.114 0.000 3.789 103 R HA -0.178 4.162 4.340 -0.000 0.000 0.414 103 R C 0.164 176.523 176.300 0.099 0.000 0.593 103 R CA 1.516 57.673 56.100 0.095 0.000 1.562 103 R CB -2.899 27.468 30.300 0.113 0.000 2.091 103 R HN 1.107 nan 8.270 nan 0.000 0.382 104 V N -2.634 117.341 119.914 0.101 0.000 2.638 104 V HA 0.964 5.084 4.120 -0.000 0.000 0.306 104 V C -0.352 175.795 176.094 0.088 0.000 1.052 104 V CA -0.388 61.968 62.300 0.094 0.000 0.885 104 V CB 2.294 34.185 31.823 0.114 0.000 0.999 104 V HN 0.429 nan 8.190 nan 0.000 0.424 105 A N 4.399 127.261 122.820 0.071 0.000 2.488 105 A HA 0.858 5.178 4.320 -0.000 0.000 0.298 105 A C -1.506 176.150 177.584 0.120 0.000 1.044 105 A CA -0.611 51.490 52.037 0.107 0.000 0.693 105 A CB 1.901 20.924 19.000 0.038 0.000 1.272 105 A HN 1.567 nan 8.150 nan 0.000 0.402 106 L N 2.352 123.704 121.223 0.216 0.000 2.296 106 L HA 0.747 5.087 4.340 -0.000 0.000 0.286 106 L C 0.001 176.950 176.870 0.132 0.000 1.023 106 L CA -0.067 54.879 54.840 0.178 0.000 0.812 106 L CB 1.062 43.271 42.059 0.250 0.000 1.223 106 L HN 0.759 nan 8.230 nan 0.000 0.421 107 K N 3.418 123.852 120.400 0.057 0.000 2.385 107 K HA 0.885 5.205 4.320 -0.000 0.000 0.248 107 K C -0.263 176.343 176.600 0.011 0.000 0.955 107 K CA -0.775 55.531 56.287 0.032 0.000 0.816 107 K CB 1.659 34.156 32.500 -0.006 0.000 1.250 107 K HN 0.632 nan 8.250 nan 0.000 0.434 108 G N 1.225 110.037 108.800 0.020 0.000 2.547 108 G HA2 0.405 4.365 3.960 -0.000 0.000 0.291 108 G HA3 0.405 4.365 3.960 -0.000 0.000 0.291 108 G C -2.375 172.519 174.900 -0.009 0.000 1.211 108 G CA -1.570 43.537 45.100 0.012 0.000 0.950 108 G HN 0.547 nan 8.290 nan 0.000 0.504 109 P HA 0.218 nan 4.420 nan 0.000 0.272 109 P C -0.657 176.655 177.300 0.019 0.000 1.223 109 P CA 0.008 63.103 63.100 -0.009 0.000 0.784 109 P CB 1.227 32.941 31.700 0.023 0.000 0.923 110 L N 0.798 122.027 121.223 0.010 0.000 2.354 110 L HA 0.408 4.748 4.340 -0.000 0.000 0.269 110 L C 0.825 177.705 176.870 0.018 0.000 1.005 110 L CA -0.954 53.897 54.840 0.019 0.000 0.819 110 L CB 1.985 44.046 42.059 0.003 0.000 1.311 110 L HN 0.368 nan 8.230 nan 0.000 0.423 111 E N 0.719 120.934 120.200 0.025 0.000 2.338 111 E HA 0.133 4.483 4.350 -0.000 0.000 0.272 111 E C -0.802 175.802 176.600 0.007 0.000 1.029 111 E CA -0.329 56.080 56.400 0.015 0.000 0.872 111 E CB 1.060 30.770 29.700 0.016 0.000 1.015 111 E HN 0.451 nan 8.360 nan 0.000 0.417 112 T N 6.217 120.771 114.554 0.001 0.000 2.779 112 T HA 0.190 4.540 4.350 -0.000 0.000 0.296 112 T C -2.188 172.509 174.700 -0.005 0.000 0.938 112 T CA -1.214 60.883 62.100 -0.005 0.000 1.119 112 T CB 0.619 69.481 68.868 -0.010 0.000 0.891 112 T HN 0.334 nan 8.240 nan 0.000 0.526 113 P HA 0.187 nan 4.420 nan 0.000 0.267 113 P C -0.286 177.010 177.300 -0.007 0.000 1.200 113 P CA -0.368 62.729 63.100 -0.004 0.000 0.772 113 P CB 0.423 32.120 31.700 -0.005 0.000 0.855 120 S N 0.683 116.374 115.700 -0.016 0.000 3.285 120 S HA -0.120 4.350 4.470 -0.000 0.000 0.852 120 S C 0.819 175.409 174.600 -0.015 0.000 1.066 120 S CA 0.488 58.678 58.200 -0.016 0.000 1.184 120 S CB -0.177 63.011 63.200 -0.020 0.000 0.953 120 S HN 0.395 nan 8.310 nan 0.000 0.299 121 L N 4.705 125.919 121.223 -0.015 0.000 2.056 121 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 121 L C 2.375 179.232 176.870 -0.022 0.000 1.078 121 L CA 1.396 56.225 54.840 -0.018 0.000 0.749 121 L CB -0.572 41.477 42.059 -0.016 0.000 0.901 121 L HN 0.655 nan 8.230 nan 0.000 0.433 122 N N 0.025 118.712 118.700 -0.022 0.000 2.120 122 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 122 N C 1.899 177.395 175.510 -0.023 0.000 1.024 122 N CA 1.223 54.258 53.050 -0.026 0.000 0.852 122 N CB -0.451 38.019 38.487 -0.028 0.000 1.003 122 N HN 0.138 nan 8.380 nan 0.000 0.424 123 V N 1.758 121.662 119.914 -0.017 0.000 2.358 123 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 123 V C 2.459 178.549 176.094 -0.007 0.000 1.047 123 V CA 1.654 63.948 62.300 -0.009 0.000 1.035 123 V CB -0.875 30.943 31.823 -0.008 0.000 0.658 123 V HN 0.290 nan 8.190 nan 0.000 0.452 124 A N -0.203 122.610 122.820 -0.011 0.000 1.972 124 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 124 A C 2.142 179.718 177.584 -0.013 0.000 1.169 124 A CA 1.899 53.930 52.037 -0.010 0.000 0.635 124 A CB -0.513 18.479 19.000 -0.013 0.000 0.810 124 A HN 0.535 nan 8.150 nan 0.000 0.446 125 I N -0.684 119.873 120.570 -0.021 0.000 2.202 125 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 125 I C 2.539 178.642 176.117 -0.024 0.000 1.091 125 I CA 0.956 62.239 61.300 -0.028 0.000 1.368 125 I CB -0.263 37.713 38.000 -0.040 0.000 1.058 125 I HN 0.197 nan 8.210 nan 0.000 0.410 126 R N 0.880 121.366 120.500 -0.022 0.000 2.096 126 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 126 R C 2.027 178.333 176.300 0.009 0.000 1.127 126 R CA 1.243 57.333 56.100 -0.018 0.000 0.968 126 R CB -0.944 29.346 30.300 -0.017 0.000 0.861 126 R HN 0.548 nan 8.270 nan 0.000 0.440 127 Q N 0.235 120.044 119.800 0.015 0.000 2.083 127 Q HA 0.076 4.416 4.340 -0.000 0.000 0.198 127 Q C 2.119 178.138 176.000 0.031 0.000 0.969 127 Q CA 1.310 57.132 55.803 0.031 0.000 0.838 127 Q CB -0.097 28.656 28.738 0.025 0.000 0.900 127 Q HN 0.367 nan 8.270 nan 0.000 0.436 128 A N 0.529 123.358 122.820 0.016 0.000 2.015 128 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 128 A C 1.771 179.368 177.584 0.023 0.000 1.163 128 A CA 1.001 53.047 52.037 0.016 0.000 0.646 128 A CB -0.192 18.809 19.000 0.003 0.000 0.806 128 A HN 0.279 nan 8.150 nan 0.000 0.448 129 L N -1.375 119.859 121.223 0.017 0.000 2.693 129 L HA 0.129 4.469 4.340 -0.000 0.000 0.235 129 L C 0.171 177.064 176.870 0.038 0.000 1.127 129 L CA 0.139 54.989 54.840 0.016 0.000 0.914 129 L CB 0.086 42.137 42.059 -0.014 0.000 1.193 129 L HN 0.328 nan 8.230 nan 0.000 0.502 130 D N 1.621 122.059 120.400 0.063 0.000 2.737 130 D HA -0.205 4.435 4.640 -0.000 0.000 0.238 130 D C -0.343 176.024 176.300 0.111 0.000 1.157 130 D CA 0.601 54.677 54.000 0.128 0.000 0.694 130 D CB -0.880 40.028 40.800 0.179 0.000 1.021 130 D HN 0.187 nan 8.370 nan 0.000 0.420 131 L N 1.934 123.164 121.223 0.011 0.000 2.358 131 L HA 0.202 4.542 4.340 -0.000 0.000 0.274 131 L C 1.437 178.237 176.870 -0.117 0.000 1.136 131 L CA -0.812 53.951 54.840 -0.128 0.000 0.970 131 L CB -0.245 41.730 42.059 -0.140 0.000 1.314 131 L HN 0.238 nan 8.230 nan 0.000 0.427 132 Y N 0.653 120.943 120.300 -0.016 0.000 2.475 132 Y HA 0.409 4.959 4.550 0.000 0.000 0.289 132 Y C 0.993 176.885 175.900 -0.013 0.000 1.121 132 Y CA -0.404 57.695 58.100 -0.001 0.000 1.257 132 Y CB -0.083 38.383 38.460 0.010 0.000 1.026 132 Y HN 0.369 nan 8.280 nan 0.000 0.555 133 A N 1.617 124.234 122.820 -0.339 0.000 2.249 133 A HA 0.378 4.698 4.320 -0.000 0.000 0.314 133 A C -1.017 176.413 177.584 -0.256 0.000 1.290 133 A CA -0.674 51.248 52.037 -0.191 0.000 0.893 133 A CB -0.166 18.715 19.000 -0.198 0.000 1.165 133 A HN 0.481 nan 8.150 nan 0.000 0.530 134 N N 2.380 120.963 118.700 -0.195 0.000 2.419 134 N HA 0.511 5.251 4.740 -0.000 0.000 0.264 134 N C -1.002 174.288 175.510 -0.366 0.000 1.031 134 N CA -0.133 52.780 53.050 -0.229 0.000 0.951 134 N CB 0.343 38.753 38.487 -0.129 0.000 1.101 134 N HN 0.546 nan 8.380 nan 0.000 0.488 135 I N 3.407 123.701 120.570 -0.461 0.000 2.362 135 I HA 0.391 4.561 4.170 -0.000 0.000 0.289 135 I C -0.039 175.838 176.117 -0.399 0.000 0.994 135 I CA -0.695 60.200 61.300 -0.675 0.000 1.158 135 I CB 1.392 38.829 38.000 -0.939 0.000 1.315 135 I HN 0.357 nan 8.210 nan 0.000 0.451 136 R N 7.177 127.479 120.500 -0.330 0.000 2.467 136 R HA 0.365 4.705 4.340 -0.000 0.000 0.299 136 R C -2.732 173.505 176.300 -0.105 0.000 1.120 136 R CA -1.692 54.310 56.100 -0.163 0.000 0.940 136 R CB 1.872 32.111 30.300 -0.101 0.000 1.161 136 R HN 0.275 nan 8.270 nan 0.000 0.506 137 P HA 0.134 nan 4.420 nan 0.000 0.275 137 P C -0.475 176.879 177.300 0.090 0.000 1.227 137 P CA -0.286 62.851 63.100 0.061 0.000 0.781 137 P CB 1.438 33.233 31.700 0.159 0.000 0.906 138 V N 5.037 125.011 119.914 0.100 0.000 2.482 138 V HA 0.473 4.593 4.120 -0.000 0.000 0.295 138 V C 0.352 176.513 176.094 0.113 0.000 1.026 138 V CA -0.524 61.843 62.300 0.111 0.000 0.856 138 V CB 1.420 33.293 31.823 0.083 0.000 1.001 138 V HN 0.577 nan 8.190 nan 0.000 0.424 139 R N 3.119 123.682 120.500 0.105 0.000 2.836 139 R HA 0.567 4.907 4.340 -0.000 0.000 0.269 139 R C -1.811 174.430 176.300 -0.099 0.000 1.010 139 R CA -0.964 55.116 56.100 -0.033 0.000 0.930 139 R CB 2.533 32.725 30.300 -0.179 0.000 1.218 139 R HN 0.583 nan 8.270 nan 0.000 0.473 140 Y N 0.822 120.929 120.300 -0.322 0.000 2.331 140 Y HA 0.297 4.847 4.550 -0.000 0.000 0.338 140 Y C -0.618 175.035 175.900 -0.411 0.000 0.992 140 Y CA -0.896 57.070 58.100 -0.222 0.000 1.121 140 Y CB 0.821 39.246 38.460 -0.057 0.000 1.184 140 Y HN 0.570 nan 8.280 nan 0.000 0.469 141 Y N 3.794 123.808 120.300 -0.476 0.000 2.636 141 Y HA 0.336 4.886 4.550 -0.000 0.000 0.260 141 Y C 1.486 177.062 175.900 -0.540 0.000 1.177 141 Y CA 0.093 57.975 58.100 -0.363 0.000 1.209 141 Y CB 0.832 39.207 38.460 -0.143 0.000 1.166 141 Y HN 0.943 nan 8.280 nan 0.000 0.531 142 G N -0.316 107.809 108.800 -1.126 0.000 2.194 142 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.236 142 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.236 142 G C 0.139 174.857 174.900 -0.302 0.000 0.987 142 G CA -0.393 44.319 45.100 -0.647 0.000 0.635 142 G HN 0.307 nan 8.290 nan 0.000 0.520 143 Q N 1.196 120.837 119.800 -0.265 0.000 2.394 143 Q HA 0.390 4.730 4.340 -0.000 0.000 0.303 143 Q C -2.169 173.946 176.000 0.192 0.000 1.117 143 Q CA -0.234 55.590 55.803 0.035 0.000 0.966 143 Q CB -0.090 28.714 28.738 0.111 0.000 1.275 143 Q HN 0.303 nan 8.270 nan 0.000 0.429 144 P HA 0.135 nan 4.420 nan 0.000 0.263 144 P C -1.400 175.960 177.300 0.100 0.000 1.195 144 P CA 0.494 63.656 63.100 0.103 0.000 0.762 144 P CB 0.599 32.321 31.700 0.037 0.000 0.799 145 A N 5.220 128.098 122.820 0.098 0.000 2.549 145 A HA 0.602 4.922 4.320 -0.000 0.000 0.297 145 A C -2.005 175.587 177.584 0.013 0.000 1.061 145 A CA -0.936 51.148 52.037 0.077 0.000 0.690 145 A CB 1.047 20.132 19.000 0.143 0.000 1.287 145 A HN 0.364 nan 8.150 nan 0.000 0.402 146 P HA 0.026 nan 4.420 nan 0.000 0.236 146 P C -0.064 177.255 177.300 0.032 0.000 1.177 146 P CA 0.809 63.904 63.100 -0.007 0.000 0.773 146 P CB 0.025 31.710 31.700 -0.025 0.000 0.878 147 H N 0.972 119.985 119.070 -0.095 0.000 2.604 147 H HA 0.261 4.817 4.556 -0.000 0.000 0.306 147 H C 1.237 176.459 175.328 -0.176 0.000 1.075 147 H CA -0.406 55.570 56.048 -0.120 0.000 1.357 147 H CB 0.967 30.682 29.762 -0.077 0.000 1.426 147 H HN -0.230 nan 8.280 nan 0.000 0.470 148 K N 3.316 123.531 120.400 -0.308 0.000 2.152 148 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 148 K C 0.332 176.659 176.600 -0.456 0.000 1.048 148 K CA 1.390 57.416 56.287 -0.434 0.000 0.933 148 K CB 0.140 32.279 32.500 -0.602 0.000 0.721 148 K HN 0.662 nan 8.250 nan 0.000 0.447 149 Y N -0.699 119.256 120.300 -0.574 0.000 2.625 149 Y HA 0.228 4.778 4.550 -0.000 0.000 0.285 149 Y C 1.667 177.292 175.900 -0.459 0.000 1.168 149 Y CA -0.722 57.091 58.100 -0.478 0.000 1.250 149 Y CB 0.335 38.555 38.460 -0.399 0.000 1.130 149 Y HN 0.031 nan 8.280 nan 0.000 0.526 150 A N 0.991 123.605 122.820 -0.344 0.000 1.948 150 A HA -0.295 4.025 4.320 -0.000 0.000 0.220 150 A C 1.878 179.210 177.584 -0.419 0.000 1.177 150 A CA 2.310 54.145 52.037 -0.336 0.000 0.636 150 A CB -0.561 18.054 19.000 -0.641 0.000 0.815 150 A HN 0.599 nan 8.150 nan 0.000 0.449 151 D N -1.120 119.001 120.400 -0.464 0.000 2.371 151 D HA -0.109 4.531 4.640 -0.000 0.000 0.221 151 D C 1.348 177.678 176.300 0.050 0.000 0.986 151 D CA 0.497 54.434 54.000 -0.104 0.000 0.899 151 D CB -0.313 40.502 40.800 0.026 0.000 0.902 151 D HN 0.350 nan 8.370 nan 0.000 0.530 152 R N 0.232 120.773 120.500 0.068 0.000 2.334 152 R HA 0.212 4.552 4.340 -0.000 0.000 0.216 152 R C -0.015 176.392 176.300 0.179 0.000 0.905 152 R CA -0.158 56.037 56.100 0.159 0.000 1.064 152 R CB 0.456 30.921 30.300 0.275 0.000 1.046 152 R HN 0.127 nan 8.270 nan 0.000 0.508 153 V N 2.826 122.830 119.914 0.150 0.000 2.368 153 V HA 0.144 4.264 4.120 -0.000 0.000 0.266 153 V C -0.405 175.768 176.094 0.131 0.000 1.045 153 V CA -0.512 61.881 62.300 0.155 0.000 0.899 153 V CB 1.218 33.141 31.823 0.166 0.000 1.006 153 V HN 0.004 nan 8.190 nan 0.000 0.470 154 D N 5.952 126.430 120.400 0.129 0.000 2.386 154 D HA 0.554 5.194 4.640 -0.000 0.000 0.247 154 D C -0.757 175.623 176.300 0.132 0.000 1.336 154 D CA -0.225 53.845 54.000 0.117 0.000 0.976 154 D CB 0.962 41.827 40.800 0.107 0.000 1.257 154 D HN 0.417 nan 8.370 nan 0.000 0.570 155 M N 1.646 121.322 119.600 0.127 0.000 2.575 155 M HA 0.577 5.057 4.480 -0.000 0.000 0.284 155 M C -1.243 175.122 176.300 0.107 0.000 1.253 155 M CA -1.117 54.255 55.300 0.121 0.000 0.861 155 M CB 2.850 35.509 32.600 0.099 0.000 1.733 155 M HN 0.010 nan 8.290 nan 0.000 0.462 156 V N 1.964 121.930 119.914 0.086 0.000 2.623 156 V HA 0.530 4.651 4.120 -0.000 0.000 0.304 156 V C -1.099 175.001 176.094 0.011 0.000 1.054 156 V CA -0.664 61.640 62.300 0.006 0.000 0.882 156 V CB 1.919 33.694 31.823 -0.080 0.000 1.002 156 V HN 0.642 nan 8.190 nan 0.000 0.424 157 I N 4.372 124.902 120.570 -0.066 0.000 2.312 157 I HA 0.427 4.597 4.170 -0.000 0.000 0.290 157 I C -0.519 175.520 176.117 -0.130 0.000 1.008 157 I CA 0.121 61.401 61.300 -0.032 0.000 1.226 157 I CB 0.993 38.964 38.000 -0.049 0.000 1.371 157 I HN 0.448 nan 8.210 nan 0.000 0.468 158 F N 6.234 126.086 119.950 -0.164 0.000 2.335 158 F HA 0.392 4.919 4.527 -0.000 0.000 0.365 158 F C 0.790 176.555 175.800 -0.058 0.000 1.122 158 F CA -0.427 57.490 58.000 -0.140 0.000 1.151 158 F CB 0.454 39.376 39.000 -0.131 0.000 1.282 158 F HN 0.374 nan 8.300 nan 0.000 0.513 159 R N 3.771 124.259 120.500 -0.020 0.000 2.295 159 R HA 0.178 4.518 4.340 -0.000 0.000 0.324 159 R C -0.173 176.144 176.300 0.029 0.000 0.968 159 R CA -0.672 55.422 56.100 -0.010 0.000 0.837 159 R CB 0.907 31.166 30.300 -0.069 0.000 1.133 159 R HN 0.409 nan 8.270 nan 0.000 0.450 160 E N 3.282 123.536 120.200 0.091 0.000 2.415 160 E HA -0.094 4.256 4.350 -0.000 0.000 0.260 160 E C -0.650 175.985 176.600 0.059 0.000 1.016 160 E CA 0.336 56.819 56.400 0.137 0.000 0.924 160 E CB 0.725 30.559 29.700 0.224 0.000 0.961 160 E HN 0.589 nan 8.360 nan 0.000 0.459 161 N N 2.356 121.108 118.700 0.086 0.000 2.282 161 N HA 0.028 4.768 4.740 -0.000 0.000 0.240 161 N C 0.424 175.988 175.510 0.090 0.000 1.182 161 N CA 0.422 53.508 53.050 0.060 0.000 0.874 161 N CB 0.491 38.994 38.487 0.027 0.000 1.126 161 N HN 0.487 nan 8.380 nan 0.000 0.516 162 T N -4.694 109.923 114.554 0.105 0.000 2.964 162 T HA 0.330 4.680 4.350 -0.000 0.000 0.250 162 T C 0.686 175.444 174.700 0.096 0.000 0.982 162 T CA 0.019 62.184 62.100 0.109 0.000 0.959 162 T CB 0.804 69.752 68.868 0.133 0.000 1.141 162 T HN -0.002 nan 8.240 nan 0.000 0.494 163 E N 0.771 121.021 120.200 0.084 0.000 2.678 163 E HA 0.508 4.858 4.350 -0.000 0.000 0.204 163 E C -0.819 175.802 176.600 0.035 0.000 0.743 163 E CA -0.879 55.567 56.400 0.076 0.000 1.082 163 E CB 0.453 30.213 29.700 0.100 0.000 1.721 163 E HN 0.173 nan 8.360 nan 0.000 0.390 164 D N -0.729 119.688 120.400 0.028 0.000 4.199 164 D HA -0.206 4.434 4.640 -0.000 0.000 0.291 164 D C 0.815 177.126 176.300 0.019 0.000 2.213 164 D CA 1.375 55.358 54.000 -0.029 0.000 1.174 164 D CB -0.407 40.288 40.800 -0.176 0.000 1.012 164 D HN 0.325 nan 8.370 nan 0.000 1.213 165 V N -0.573 119.351 119.914 0.017 0.000 2.982 165 V HA -0.175 3.945 4.120 -0.000 0.000 0.265 165 V C 1.983 178.237 176.094 0.266 0.000 1.122 165 V CA 1.795 64.166 62.300 0.118 0.000 1.143 165 V CB -0.913 30.981 31.823 0.119 0.000 0.726 165 V HN 0.485 nan 8.190 nan 0.000 0.507 166 Y N 0.977 121.257 120.300 -0.034 0.000 2.529 166 Y HA 0.526 5.076 4.550 -0.000 0.000 0.290 166 Y C 2.457 178.342 175.900 -0.026 0.000 1.177 166 Y CA -0.431 57.651 58.100 -0.029 0.000 1.305 166 Y CB -1.169 37.277 38.460 -0.024 0.000 1.047 166 Y HN 0.362 nan 8.280 nan 0.000 0.522 167 A N -0.145 122.745 122.820 0.116 0.000 2.172 167 A HA 0.255 4.575 4.320 -0.000 0.000 0.216 167 A C 2.187 179.771 177.584 0.000 0.000 1.154 167 A CA 1.050 53.120 52.037 0.055 0.000 0.701 167 A CB -0.962 18.066 19.000 0.047 0.000 0.789 167 A HN 0.566 nan 8.150 nan 0.000 0.465 168 G N -1.074 107.711 108.800 -0.025 0.000 2.160 168 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.244 168 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.244 168 G C -0.014 174.769 174.900 -0.194 0.000 1.022 168 G CA 0.250 45.293 45.100 -0.095 0.000 0.741 168 G HN 0.540 nan 8.290 nan 0.000 0.508 169 I N 1.392 121.836 120.570 -0.210 0.000 2.291 169 I HA 0.550 4.720 4.170 -0.000 0.000 0.290 169 I C 0.310 176.069 176.117 -0.597 0.000 1.050 169 I CA -0.227 60.831 61.300 -0.404 0.000 1.245 169 I CB 0.673 38.553 38.000 -0.200 0.000 1.405 169 I HN 0.481 nan 8.210 nan 0.000 0.478 170 E N 5.523 125.085 120.200 -1.063 0.000 2.392 170 E HA 0.442 4.792 4.350 -0.000 0.000 0.281 170 E C -2.058 173.954 176.600 -0.980 0.000 1.088 170 E CA -1.074 54.857 56.400 -0.781 0.000 0.850 170 E CB 1.432 30.957 29.700 -0.292 0.000 1.267 170 E HN 0.293 nan 8.360 nan 0.000 0.438 171 W N 0.698 122.021 121.300 0.039 0.000 3.022 171 W HA 0.372 5.032 4.660 -0.000 0.000 0.335 171 W C -2.595 173.947 176.519 0.039 0.000 1.133 171 W CA -1.998 55.365 57.345 0.030 0.000 1.219 171 W CB 1.441 30.916 29.460 0.025 0.000 1.409 171 W HN 0.396 nan 8.180 nan 0.000 0.507 172 P HA -0.096 nan 4.420 nan 0.000 0.267 172 P C 1.080 178.458 177.300 0.131 0.000 1.200 172 P CA 0.623 63.806 63.100 0.139 0.000 0.772 172 P CB 0.449 32.181 31.700 0.054 0.000 0.855 173 H N 2.067 121.194 119.070 0.094 0.000 2.456 173 H HA -0.135 4.421 4.556 -0.000 0.000 0.296 173 H C 0.296 175.663 175.328 0.065 0.000 1.079 173 H CA 1.817 57.913 56.048 0.081 0.000 1.322 173 H CB -0.551 29.247 29.762 0.060 0.000 1.388 173 H HN 0.372 nan 8.280 nan 0.000 0.538 174 D N 0.994 121.095 120.400 -0.499 0.000 2.369 174 D HA 0.016 4.656 4.640 -0.000 0.000 0.211 174 D C 0.629 176.849 176.300 -0.134 0.000 1.077 174 D CA 0.053 53.855 54.000 -0.329 0.000 0.842 174 D CB -0.242 40.288 40.800 -0.450 0.000 0.947 174 D HN 0.379 nan 8.370 nan 0.000 0.509 175 S N 0.743 116.401 115.700 -0.070 0.000 2.576 175 S HA 0.171 4.641 4.470 -0.000 0.000 0.272 175 S C -1.248 173.338 174.600 -0.023 0.000 1.352 175 S CA -0.766 57.428 58.200 -0.011 0.000 1.021 175 S CB 1.236 64.477 63.200 0.068 0.000 0.887 175 S HN -0.035 nan 8.310 nan 0.000 0.542 176 P HA 0.043 nan 4.420 nan 0.000 0.227 176 P C 0.838 178.086 177.300 -0.087 0.000 1.161 176 P CA 0.753 63.825 63.100 -0.045 0.000 0.788 176 P CB 0.082 31.761 31.700 -0.037 0.000 0.822 177 E N 0.962 121.093 120.200 -0.115 0.000 2.038 177 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 177 E C 2.357 178.751 176.600 -0.343 0.000 1.000 177 E CA 1.876 58.104 56.400 -0.288 0.000 0.803 177 E CB -1.158 28.321 29.700 -0.369 0.000 0.750 177 E HN 0.156 nan 8.360 nan 0.000 0.448 178 A N 0.933 123.651 122.820 -0.171 0.000 1.908 178 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 178 A C 2.373 179.924 177.584 -0.056 0.000 1.181 178 A CA 2.087 54.083 52.037 -0.069 0.000 0.627 178 A CB -0.974 18.079 19.000 0.087 0.000 0.818 178 A HN 0.301 nan 8.150 nan 0.000 0.445 179 A N -0.583 122.210 122.820 -0.045 0.000 1.902 179 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 179 A C 2.260 179.821 177.584 -0.039 0.000 1.181 179 A CA 1.478 53.499 52.037 -0.025 0.000 0.623 179 A CB -0.496 18.492 19.000 -0.019 0.000 0.818 179 A HN 0.516 nan 8.150 nan 0.000 0.443 180 R N -0.615 119.835 120.500 -0.083 0.000 2.083 180 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 180 R C 2.041 178.309 176.300 -0.054 0.000 1.137 180 R CA 1.787 57.835 56.100 -0.086 0.000 0.951 180 R CB -0.546 29.662 30.300 -0.154 0.000 0.851 180 R HN 0.621 nan 8.270 nan 0.000 0.434 181 I N 0.185 120.683 120.570 -0.119 0.000 2.179 181 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 181 I C 2.542 178.711 176.117 0.085 0.000 1.088 181 I CA 1.276 62.551 61.300 -0.042 0.000 1.357 181 I CB -0.300 37.594 38.000 -0.176 0.000 1.051 181 I HN 0.144 nan 8.210 nan 0.000 0.409 182 R N 0.313 120.840 120.500 0.046 0.000 2.103 182 R HA -0.219 4.121 4.340 -0.000 0.000 0.242 182 R C 2.471 178.804 176.300 0.055 0.000 1.142 182 R CA 1.618 57.755 56.100 0.061 0.000 0.960 182 R CB -0.432 29.895 30.300 0.045 0.000 0.858 182 R HN 0.354 nan 8.270 nan 0.000 0.439 183 R N 0.078 120.606 120.500 0.048 0.000 2.066 183 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 183 R C 2.164 178.488 176.300 0.039 0.000 1.131 183 R CA 1.509 57.629 56.100 0.033 0.000 0.955 183 R CB -0.371 29.945 30.300 0.026 0.000 0.851 183 R HN 0.143 nan 8.270 nan 0.000 0.432 184 F N 1.533 121.438 119.950 -0.075 0.000 2.069 184 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 184 F C 1.838 177.560 175.800 -0.130 0.000 1.113 184 F CA 1.633 59.569 58.000 -0.107 0.000 1.214 184 F CB -0.363 38.588 39.000 -0.082 0.000 0.978 184 F HN -0.001 nan 8.300 nan 0.000 0.474 185 L N -0.218 120.993 121.223 -0.020 0.000 2.083 185 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 185 L C 2.749 179.566 176.870 -0.088 0.000 1.083 185 L CA 1.145 55.979 54.840 -0.010 0.000 0.752 185 L CB -1.244 40.924 42.059 0.183 0.000 0.899 185 L HN 0.289 nan 8.230 nan 0.000 0.433 186 A N -0.095 122.682 122.820 -0.071 0.000 1.872 186 A HA -0.173 4.147 4.320 -0.000 0.000 0.214 186 A C 2.180 179.688 177.584 -0.127 0.000 1.187 186 A CA 1.354 53.356 52.037 -0.059 0.000 0.614 186 A CB -0.326 18.658 19.000 -0.026 0.000 0.826 186 A HN 0.408 nan 8.150 nan 0.000 0.442 187 E N -0.435 119.651 120.200 -0.190 0.000 2.072 187 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 187 E C 1.879 178.271 176.600 -0.346 0.000 0.985 187 E CA 1.193 57.462 56.400 -0.218 0.000 0.801 187 E CB -0.046 29.542 29.700 -0.186 0.000 0.750 187 E HN 0.578 nan 8.360 nan 0.000 0.452 188 E N -0.466 119.341 120.200 -0.654 0.000 2.216 188 E HA -0.008 4.342 4.350 -0.000 0.000 0.192 188 E C 1.276 177.360 176.600 -0.859 0.000 0.973 188 E CA 0.692 56.501 56.400 -0.986 0.000 0.851 188 E CB 0.243 28.888 29.700 -1.758 0.000 0.804 188 E HN 0.330 nan 8.360 nan 0.000 0.477 189 F N -0.609 119.227 119.950 -0.191 0.000 2.746 189 F HA 0.338 4.865 4.527 -0.000 0.000 0.320 189 F C 1.329 177.089 175.800 -0.067 0.000 1.097 189 F CA -0.041 57.892 58.000 -0.112 0.000 1.195 189 F CB 1.001 39.941 39.000 -0.101 0.000 1.056 189 F HN 0.011 nan 8.300 nan 0.000 0.562 190 G N 1.970 110.784 108.800 0.024 0.000 2.203 190 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.263 190 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.263 190 G C 0.132 175.063 174.900 0.051 0.000 1.012 190 G CA -0.073 45.041 45.100 0.023 0.000 0.749 190 G HN 0.230 nan 8.290 nan 0.000 0.512 191 I N 1.206 121.825 120.570 0.082 0.000 2.416 191 I HA 0.280 4.450 4.170 -0.000 0.000 0.288 191 I C 0.639 176.791 176.117 0.058 0.000 1.051 191 I CA -0.012 61.339 61.300 0.084 0.000 1.375 191 I CB 1.177 39.255 38.000 0.130 0.000 1.407 191 I HN 0.034 nan 8.210 nan 0.000 0.516 192 S N 7.479 123.208 115.700 0.048 0.000 2.429 192 S HA 0.596 5.066 4.470 -0.000 0.000 0.302 192 S C -0.007 174.622 174.600 0.049 0.000 1.115 192 S CA -0.491 57.733 58.200 0.041 0.000 1.095 192 S CB 1.089 64.307 63.200 0.030 0.000 0.987 192 S HN 0.333 nan 8.310 nan 0.000 0.474 193 I N 3.302 123.905 120.570 0.055 0.000 2.433 193 I HA 0.370 4.540 4.170 -0.000 0.000 0.292 193 I C 0.384 176.533 176.117 0.054 0.000 1.001 193 I CA -0.878 60.459 61.300 0.061 0.000 1.119 193 I CB 1.557 39.605 38.000 0.080 0.000 1.289 193 I HN 0.395 nan 8.210 nan 0.000 0.438 194 R N 4.183 124.713 120.500 0.050 0.000 2.640 194 R HA -0.007 4.333 4.340 -0.000 0.000 0.270 194 R C 0.771 177.106 176.300 0.059 0.000 1.024 194 R CA -0.387 55.740 56.100 0.045 0.000 1.085 194 R CB 0.742 31.062 30.300 0.034 0.000 0.963 194 R HN 0.540 nan 8.270 nan 0.000 0.426 195 E N 1.827 122.061 120.200 0.056 0.000 2.209 195 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 195 E C 0.691 177.358 176.600 0.111 0.000 0.993 195 E CA 1.391 57.834 56.400 0.071 0.000 0.819 195 E CB -0.084 29.650 29.700 0.057 0.000 0.745 195 E HN 0.605 nan 8.360 nan 0.000 0.477 196 D N -0.648 119.805 120.400 0.087 0.000 2.395 196 D HA 0.192 4.832 4.640 -0.000 0.000 0.226 196 D C -0.151 176.154 176.300 0.010 0.000 1.146 196 D CA -0.231 53.814 54.000 0.075 0.000 0.830 196 D CB -0.154 40.639 40.800 -0.012 0.000 0.958 196 D HN -0.049 nan 8.370 nan 0.000 0.501 197 A N 0.127 123.002 122.820 0.092 0.000 2.305 197 A HA 0.686 5.006 4.320 -0.000 0.000 0.322 197 A C 0.756 178.442 177.584 0.169 0.000 1.187 197 A CA -0.406 51.683 52.037 0.087 0.000 0.825 197 A CB 0.996 20.041 19.000 0.075 0.000 1.164 197 A HN 0.214 nan 8.150 nan 0.000 0.498 198 G N 0.554 109.445 108.800 0.152 0.000 2.527 198 G HA2 0.499 4.459 3.960 -0.000 0.000 0.248 198 G HA3 0.499 4.459 3.960 -0.000 0.000 0.248 198 G C -0.432 174.570 174.900 0.170 0.000 1.231 198 G CA -0.286 44.925 45.100 0.185 0.000 0.838 198 G HN 0.688 nan 8.290 nan 0.000 0.570 199 I N 1.129 121.834 120.570 0.225 0.000 2.447 199 I HA 0.473 4.644 4.170 -0.000 0.000 0.287 199 I C 0.595 176.857 176.117 0.242 0.000 1.023 199 I CA -0.608 60.846 61.300 0.256 0.000 1.083 199 I CB 2.241 40.441 38.000 0.332 0.000 1.245 199 I HN 0.598 nan 8.210 nan 0.000 0.434 200 G N 4.868 113.760 108.800 0.152 0.000 2.453 200 G HA2 0.708 4.668 3.960 -0.000 0.000 0.323 200 G HA3 0.708 4.668 3.960 -0.000 0.000 0.323 200 G C -1.273 173.698 174.900 0.118 0.000 1.198 200 G CA -0.515 44.627 45.100 0.071 0.000 0.959 200 G HN 0.304 nan 8.290 nan 0.000 0.482 201 V N 0.994 120.953 119.914 0.075 0.000 2.540 201 V HA 0.500 4.620 4.120 -0.000 0.000 0.302 201 V C -0.135 176.003 176.094 0.073 0.000 1.035 201 V CA -0.883 61.488 62.300 0.118 0.000 0.873 201 V CB 1.872 33.800 31.823 0.175 0.000 0.992 201 V HN 0.729 nan 8.190 nan 0.000 0.428 202 K N 6.754 127.203 120.400 0.081 0.000 2.404 202 K HA 0.524 4.844 4.320 -0.000 0.000 0.257 202 K C -2.699 173.953 176.600 0.086 0.000 1.026 202 K CA -1.486 54.840 56.287 0.065 0.000 0.951 202 K CB 1.743 34.270 32.500 0.044 0.000 1.203 202 K HN 0.453 nan 8.250 nan 0.000 0.446 203 P HA 0.391 nan 4.420 nan 0.000 0.300 203 P C -0.861 176.521 177.300 0.137 0.000 1.326 203 P CA -0.649 62.521 63.100 0.116 0.000 0.844 203 P CB 1.184 32.945 31.700 0.102 0.000 0.992 204 I N 2.062 122.752 120.570 0.199 0.000 2.478 204 I HA 0.248 4.418 4.170 -0.000 0.000 0.287 204 I C 0.376 176.722 176.117 0.382 0.000 1.042 204 I CA -0.485 60.986 61.300 0.285 0.000 1.067 204 I CB 1.874 40.067 38.000 0.322 0.000 1.233 204 I HN 0.428 nan 8.210 nan 0.000 0.431 205 S N 5.787 121.638 115.700 0.252 0.000 2.578 205 S HA 0.553 5.023 4.470 -0.000 0.000 0.301 205 S C 0.969 175.332 174.600 -0.395 0.000 1.091 205 S CA -0.704 57.505 58.200 0.014 0.000 1.032 205 S CB 2.819 66.030 63.200 0.019 0.000 1.064 205 S HN 0.691 nan 8.310 nan 0.000 0.508 206 R N 0.185 119.984 120.500 -1.168 0.000 2.096 206 R HA -0.128 4.212 4.340 -0.000 0.000 0.240 206 R C 2.030 177.966 176.300 -0.607 0.000 1.139 206 R CA 2.130 57.286 56.100 -1.573 0.000 0.952 206 R CB -0.596 28.835 30.300 -1.448 0.000 0.854 206 R HN 0.795 nan 8.270 nan 0.000 0.436 207 F N 0.680 120.353 119.950 -0.462 0.000 2.102 207 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 207 F C 2.063 177.716 175.800 -0.245 0.000 1.105 207 F CA 1.741 59.566 58.000 -0.292 0.000 1.239 207 F CB -0.462 38.406 39.000 -0.219 0.000 0.991 207 F HN 0.099 nan 8.300 nan 0.000 0.474 208 A N -0.493 122.224 122.820 -0.171 0.000 1.930 208 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 208 A C 2.150 179.615 177.584 -0.199 0.000 1.175 208 A CA 2.010 53.908 52.037 -0.231 0.000 0.627 208 A CB -1.376 17.645 19.000 0.034 0.000 0.815 208 A HN 0.466 nan 8.150 nan 0.000 0.443 209 T N -0.350 114.112 114.554 -0.152 0.000 2.737 209 T HA -0.118 4.232 4.350 -0.000 0.000 0.265 209 T C 2.102 176.640 174.700 -0.270 0.000 1.038 209 T CA 1.565 63.529 62.100 -0.227 0.000 1.144 209 T CB -0.205 68.534 68.868 -0.215 0.000 0.866 209 T HN 0.505 nan 8.240 nan 0.000 0.434 210 R N 0.675 121.014 120.500 -0.268 0.000 2.073 210 R HA 0.025 4.365 4.340 -0.000 0.000 0.234 210 R C 2.826 179.010 176.300 -0.193 0.000 1.134 210 R CA 1.217 57.192 56.100 -0.209 0.000 0.952 210 R CB -0.181 29.996 30.300 -0.206 0.000 0.850 210 R HN 0.291 nan 8.270 nan 0.000 0.433 211 R N 0.479 120.775 120.500 -0.340 0.000 2.096 211 R HA -0.196 4.144 4.340 -0.000 0.000 0.240 211 R C 2.392 178.696 176.300 0.007 0.000 1.139 211 R CA 1.553 57.466 56.100 -0.311 0.000 0.952 211 R CB -0.708 29.075 30.300 -0.863 0.000 0.854 211 R HN 0.161 nan 8.270 nan 0.000 0.436 212 L N 0.681 121.921 121.223 0.027 0.000 1.970 212 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 212 L C 2.504 179.425 176.870 0.085 0.000 1.071 212 L CA 1.766 56.721 54.840 0.191 0.000 0.751 212 L CB -0.414 41.763 42.059 0.197 0.000 0.889 212 L HN 0.095 nan 8.230 nan 0.000 0.432 213 M N -0.292 119.277 119.600 -0.051 0.000 2.149 213 M HA -0.235 4.245 4.480 -0.000 0.000 0.261 213 M C 2.050 178.255 176.300 -0.160 0.000 1.064 213 M CA 1.802 57.019 55.300 -0.138 0.000 1.102 213 M CB -0.410 32.083 32.600 -0.178 0.000 1.369 213 M HN 0.371 nan 8.290 nan 0.000 0.408 214 E N -0.828 119.347 120.200 -0.043 0.000 2.051 214 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 214 E C 2.026 178.640 176.600 0.023 0.000 0.991 214 E CA 1.146 57.576 56.400 0.051 0.000 0.799 214 E CB -0.087 29.719 29.700 0.177 0.000 0.748 214 E HN 0.355 nan 8.360 nan 0.000 0.449 215 R N 0.284 120.845 120.500 0.102 0.000 2.096 215 R HA -0.075 4.266 4.340 -0.000 0.000 0.235 215 R C 2.089 178.320 176.300 -0.115 0.000 1.127 215 R CA 1.248 57.453 56.100 0.176 0.000 0.968 215 R CB -1.055 29.467 30.300 0.370 0.000 0.861 215 R HN 0.196 nan 8.270 nan 0.000 0.440 216 A N 0.913 123.415 122.820 -0.530 0.000 1.898 216 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 216 A C 2.099 179.323 177.584 -0.601 0.000 1.181 216 A CA 0.937 52.247 52.037 -1.213 0.000 0.620 216 A CB -0.348 18.086 19.000 -0.944 0.000 0.819 216 A HN 0.097 nan 8.150 nan 0.000 0.442 217 L N 0.111 121.036 121.223 -0.497 0.000 2.093 217 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 217 L C 2.306 178.961 176.870 -0.359 0.000 1.085 217 L CA 1.905 56.395 54.840 -0.583 0.000 0.755 217 L CB -1.313 39.991 42.059 -1.258 0.000 0.904 217 L HN 0.505 nan 8.230 nan 0.000 0.435 218 E N -1.736 118.357 120.200 -0.177 0.000 2.110 218 E HA -0.277 4.073 4.350 -0.000 0.000 0.193 218 E C 1.987 178.653 176.600 0.110 0.000 0.988 218 E CA 1.007 57.452 56.400 0.074 0.000 0.804 218 E CB -0.265 29.553 29.700 0.198 0.000 0.745 218 E HN 0.527 nan 8.360 nan 0.000 0.458 219 W N 1.481 122.737 121.300 -0.073 0.000 2.355 219 W HA -0.145 4.515 4.660 -0.000 0.000 0.309 219 W C 2.236 178.734 176.519 -0.035 0.000 1.206 219 W CA 1.805 59.155 57.345 0.007 0.000 1.284 219 W CB -0.347 29.143 29.460 0.051 0.000 1.145 219 W HN 0.066 nan 8.180 nan 0.000 0.502 220 A N 0.836 123.775 122.820 0.198 0.000 1.917 220 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 220 A C 2.270 179.863 177.584 0.015 0.000 1.182 220 A CA 1.974 54.070 52.037 0.097 0.000 0.633 220 A CB -1.126 17.863 19.000 -0.018 0.000 0.819 220 A HN 0.364 nan 8.150 nan 0.000 0.448 221 L N -1.695 119.510 121.223 -0.030 0.000 2.044 221 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 221 L C 2.797 179.629 176.870 -0.063 0.000 1.075 221 L CA 1.526 56.326 54.840 -0.067 0.000 0.747 221 L CB -0.515 41.490 42.059 -0.091 0.000 0.903 221 L HN 0.418 nan 8.230 nan 0.000 0.435 222 R N 0.544 121.001 120.500 -0.072 0.000 2.103 222 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 222 R C 1.650 177.877 176.300 -0.122 0.000 1.132 222 R CA 2.062 58.092 56.100 -0.116 0.000 0.925 222 R CB -0.144 30.040 30.300 -0.194 0.000 0.842 222 R HN 0.440 nan 8.270 nan 0.000 0.430 223 N N -0.870 117.740 118.700 -0.151 0.000 2.336 223 N HA 0.038 4.778 4.740 -0.000 0.000 0.189 223 N C 0.696 176.203 175.510 -0.006 0.000 1.113 223 N CA 0.945 53.937 53.050 -0.097 0.000 0.858 223 N CB 1.256 39.669 38.487 -0.124 0.000 0.970 223 N HN 0.539 nan 8.380 nan 0.000 0.471 224 G N 1.342 110.142 108.800 -0.001 0.000 2.162 224 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 224 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 224 G C -0.134 174.792 174.900 0.043 0.000 0.976 224 G CA -0.175 44.936 45.100 0.017 0.000 0.655 224 G HN 0.421 nan 8.290 nan 0.000 0.533 225 N N 0.563 119.306 118.700 0.071 0.000 2.353 225 N HA 0.353 5.093 4.740 -0.000 0.000 0.248 225 N C 1.427 176.972 175.510 0.058 0.000 1.240 225 N CA 1.071 54.176 53.050 0.091 0.000 0.862 225 N CB 0.529 39.105 38.487 0.147 0.000 1.086 225 N HN 0.386 nan 8.380 nan 0.000 0.453 226 T N -2.570 112.016 114.554 0.052 0.000 3.040 226 T HA 0.241 4.591 4.350 -0.000 0.000 0.266 226 T C 0.075 174.795 174.700 0.034 0.000 1.005 226 T CA -0.244 61.878 62.100 0.038 0.000 0.906 226 T CB 0.258 69.145 68.868 0.032 0.000 1.082 226 T HN 0.158 nan 8.240 nan 0.000 0.531 227 V N 1.327 121.264 119.914 0.037 0.000 2.808 227 V HA 0.641 4.761 4.120 -0.000 0.000 0.308 227 V C -1.125 174.993 176.094 0.040 0.000 1.099 227 V CA -0.914 61.406 62.300 0.034 0.000 0.920 227 V CB 2.432 34.263 31.823 0.013 0.000 1.014 227 V HN 0.155 nan 8.190 nan 0.000 0.425 228 V N 2.935 122.866 119.914 0.028 0.000 2.525 228 V HA 0.566 4.686 4.120 -0.000 0.000 0.299 228 V C -0.189 175.916 176.094 0.018 0.000 1.034 228 V CA -0.295 62.003 62.300 -0.003 0.000 0.863 228 V CB 2.251 34.027 31.823 -0.078 0.000 0.999 228 V HN 0.941 nan 8.190 nan 0.000 0.423 229 T N 6.081 120.666 114.554 0.051 0.000 2.792 229 T HA 0.623 4.973 4.350 -0.000 0.000 0.280 229 T C -0.199 174.524 174.700 0.039 0.000 0.990 229 T CA -0.192 61.959 62.100 0.084 0.000 0.960 229 T CB 1.124 70.109 68.868 0.196 0.000 0.939 229 T HN 0.390 nan 8.240 nan 0.000 0.439 230 I N 3.734 124.317 120.570 0.022 0.000 2.337 230 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 230 I C 0.330 176.548 176.117 0.168 0.000 1.046 230 I CA -0.242 61.108 61.300 0.082 0.000 1.324 230 I CB 0.833 38.811 38.000 -0.037 0.000 1.409 230 I HN 0.420 nan 8.210 nan 0.000 0.494 231 M N 8.630 128.288 119.600 0.098 0.000 2.129 231 M HA 0.402 4.882 4.480 -0.000 0.000 0.348 231 M C -1.123 175.162 176.300 -0.025 0.000 1.116 231 M CA -0.105 55.185 55.300 -0.017 0.000 1.022 231 M CB 0.367 32.908 32.600 -0.097 0.000 1.599 231 M HN 0.759 nan 8.290 nan 0.000 0.449 232 H N 2.026 121.037 119.070 -0.098 0.000 3.037 232 H HA 0.485 5.041 4.556 0.000 0.000 0.355 232 H C -1.770 173.503 175.328 -0.092 0.000 1.263 232 H CA -1.164 54.814 56.048 -0.116 0.000 1.129 232 H CB 1.059 30.808 29.762 -0.021 0.000 1.861 232 H HN 0.525 nan 8.280 nan 0.000 0.546 233 K N 1.653 122.006 120.400 -0.079 0.000 3.082 233 K HA 0.350 4.670 4.320 -0.000 0.000 0.203 233 K C 0.881 177.504 176.600 0.038 0.000 1.177 233 K CA 0.140 56.372 56.287 -0.092 0.000 1.041 233 K CB -0.145 32.290 32.500 -0.107 0.000 1.312 233 K HN 0.880 nan 8.250 nan 0.000 0.526 234 G N 0.747 109.719 108.800 0.287 0.000 2.744 234 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.211 234 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.211 234 G C 1.024 175.958 174.900 0.057 0.000 1.143 234 G CA 0.320 45.535 45.100 0.191 0.000 0.788 234 G HN 0.586 nan 8.290 nan 0.000 0.534 235 N N 1.019 119.749 118.700 0.051 0.000 2.216 235 N HA -0.058 4.682 4.740 -0.000 0.000 0.183 235 N C 1.666 177.146 175.510 -0.051 0.000 1.017 235 N CA 0.896 53.943 53.050 -0.005 0.000 0.861 235 N CB -0.199 38.285 38.487 -0.004 0.000 0.986 235 N HN 0.243 nan 8.380 nan 0.000 0.428 236 I N -0.068 120.469 120.570 -0.054 0.000 2.628 236 I HA 0.175 4.345 4.170 -0.000 0.000 0.255 236 I C 0.657 176.714 176.117 -0.101 0.000 1.119 236 I CA 0.551 61.809 61.300 -0.070 0.000 1.448 236 I CB -0.462 37.505 38.000 -0.054 0.000 1.133 236 I HN 0.089 nan 8.210 nan 0.000 0.438 237 M N 1.239 120.784 119.600 -0.092 0.000 2.628 237 M HA 0.192 4.672 4.480 -0.000 0.000 0.327 237 M C 1.143 177.350 176.300 -0.154 0.000 1.223 237 M CA -0.122 55.113 55.300 -0.109 0.000 1.221 237 M CB 0.803 33.367 32.600 -0.060 0.000 1.202 237 M HN -0.040 nan 8.290 nan 0.000 0.473 238 K N 0.591 120.796 120.400 -0.325 0.000 2.097 238 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 238 K C 0.564 177.003 176.600 -0.268 0.000 1.049 238 K CA 1.616 57.654 56.287 -0.415 0.000 0.933 238 K CB 0.114 32.140 32.500 -0.791 0.000 0.717 238 K HN 0.633 nan 8.250 nan 0.000 0.442 239 Y N 0.113 120.382 120.300 -0.053 0.000 2.467 239 Y HA 0.015 4.565 4.550 0.000 0.000 0.250 239 Y C 2.227 178.104 175.900 -0.039 0.000 1.155 239 Y CA 0.066 58.126 58.100 -0.067 0.000 1.249 239 Y CB 0.494 38.932 38.460 -0.035 0.000 1.146 239 Y HN 0.163 nan 8.280 nan 0.000 0.524 240 T N -3.153 111.454 114.554 0.088 0.000 3.391 240 T HA 0.029 4.379 4.350 -0.000 0.000 0.233 240 T C 1.448 176.202 174.700 0.091 0.000 0.960 240 T CA 0.188 62.352 62.100 0.108 0.000 1.342 240 T CB -0.285 68.636 68.868 0.088 0.000 1.124 240 T HN 0.035 nan 8.240 nan 0.000 0.396 241 E N 1.536 121.758 120.200 0.036 0.000 2.106 241 E HA 0.005 4.355 4.350 -0.000 0.000 0.192 241 E C 2.442 179.076 176.600 0.057 0.000 0.984 241 E CA 1.166 57.593 56.400 0.045 0.000 0.806 241 E CB -0.598 29.103 29.700 0.003 0.000 0.750 241 E HN 0.658 nan 8.360 nan 0.000 0.458 242 G N 1.642 110.431 108.800 -0.019 0.000 2.418 242 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 242 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 242 G C 1.776 176.564 174.900 -0.187 0.000 1.158 242 G CA 1.048 46.090 45.100 -0.098 0.000 0.771 242 G HN 0.350 nan 8.290 nan 0.000 0.545 243 A N 0.370 123.036 122.820 -0.256 0.000 1.933 243 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 243 A C 2.151 179.378 177.584 -0.595 0.000 1.175 243 A CA 1.538 53.149 52.037 -0.710 0.000 0.628 243 A CB -0.566 17.841 19.000 -0.987 0.000 0.814 243 A HN 0.395 nan 8.150 nan 0.000 0.444 244 F N 0.106 119.931 119.950 -0.209 0.000 2.091 244 F HA -0.249 4.278 4.527 -0.000 0.000 0.299 244 F C 2.347 178.138 175.800 -0.015 0.000 1.103 244 F CA 2.376 60.415 58.000 0.066 0.000 1.228 244 F CB -0.183 38.858 39.000 0.068 0.000 0.984 244 F HN 0.267 nan 8.300 nan 0.000 0.477 245 M N 0.439 120.121 119.600 0.137 0.000 2.080 245 M HA -0.230 4.250 4.480 -0.000 0.000 0.260 245 M C 2.257 178.547 176.300 -0.017 0.000 1.068 245 M CA 1.931 57.209 55.300 -0.036 0.000 1.109 245 M CB -0.518 31.850 32.600 -0.388 0.000 1.342 245 M HN 0.212 nan 8.290 nan 0.000 0.405 246 R N -1.013 119.425 120.500 -0.104 0.000 2.075 246 R HA -0.159 4.181 4.340 -0.000 0.000 0.232 246 R C 2.047 178.355 176.300 0.014 0.000 1.126 246 R CA 1.603 57.661 56.100 -0.070 0.000 0.963 246 R CB -0.377 29.778 30.300 -0.242 0.000 0.858 246 R HN 0.509 nan 8.270 nan 0.000 0.435 247 W N 0.618 121.896 121.300 -0.037 0.000 2.402 247 W HA 0.069 4.729 4.660 -0.000 0.000 0.286 247 W C 2.306 178.742 176.519 -0.139 0.000 1.221 247 W CA 0.616 57.911 57.345 -0.083 0.000 1.257 247 W CB -0.669 28.717 29.460 -0.123 0.000 1.120 247 W HN 0.180 nan 8.180 nan 0.000 0.551 248 A N -0.755 122.045 122.820 -0.033 0.000 1.897 248 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 248 A C 1.776 179.313 177.584 -0.078 0.000 1.181 248 A CA 1.215 53.146 52.037 -0.175 0.000 0.620 248 A CB -1.326 17.453 19.000 -0.369 0.000 0.821 248 A HN 0.220 nan 8.150 nan 0.000 0.443 249 Y N 0.115 120.407 120.300 -0.014 0.000 2.181 249 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 249 Y C 2.463 178.387 175.900 0.040 0.000 1.146 249 Y CA 1.621 59.727 58.100 0.010 0.000 1.164 249 Y CB -0.363 38.096 38.460 -0.002 0.000 0.982 249 Y HN 0.550 nan 8.280 nan 0.000 0.515 250 E N 0.117 120.447 120.200 0.217 0.000 2.031 250 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 250 E C 2.082 178.770 176.600 0.148 0.000 0.994 250 E CA 2.178 58.681 56.400 0.172 0.000 0.800 250 E CB -0.115 29.702 29.700 0.195 0.000 0.752 250 E HN 0.301 nan 8.360 nan 0.000 0.447 251 V N 0.045 120.036 119.914 0.130 0.000 2.490 251 V HA -0.154 3.966 4.120 -0.000 0.000 0.250 251 V C 2.472 178.703 176.094 0.228 0.000 1.061 251 V CA 1.517 63.902 62.300 0.142 0.000 1.064 251 V CB -1.282 30.607 31.823 0.110 0.000 0.670 251 V HN 0.365 nan 8.190 nan 0.000 0.461 252 A N 0.979 123.908 122.820 0.182 0.000 1.883 252 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 252 A C 2.264 180.004 177.584 0.261 0.000 1.186 252 A CA 2.244 54.413 52.037 0.219 0.000 0.624 252 A CB -0.617 18.454 19.000 0.119 0.000 0.822 252 A HN 0.554 nan 8.150 nan 0.000 0.444 253 L N -1.249 120.091 121.223 0.195 0.000 2.179 253 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 253 L C 2.609 179.548 176.870 0.115 0.000 1.096 253 L CA 1.443 56.372 54.840 0.148 0.000 0.779 253 L CB -0.413 41.716 42.059 0.117 0.000 0.922 253 L HN 0.598 nan 8.230 nan 0.000 0.443 254 E N 0.841 121.110 120.200 0.115 0.000 2.046 254 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 254 E C 1.606 178.221 176.600 0.025 0.000 0.982 254 E CA 1.020 57.461 56.400 0.067 0.000 0.800 254 E CB 0.308 30.049 29.700 0.069 0.000 0.756 254 E HN 0.360 nan 8.360 nan 0.000 0.449 255 K N -1.198 119.231 120.400 0.049 0.000 2.374 255 K HA 0.129 4.449 4.320 -0.000 0.000 0.202 255 K C -0.068 176.197 176.600 -0.559 0.000 1.040 255 K CA -0.103 56.066 56.287 -0.196 0.000 1.085 255 K CB 0.772 33.161 32.500 -0.186 0.000 0.873 255 K HN 0.088 nan 8.250 nan 0.000 0.539 256 F N -0.421 119.571 119.950 0.069 0.000 2.901 256 F HA 0.258 4.785 4.527 0.000 0.000 0.329 256 F C 1.462 177.300 175.800 0.065 0.000 1.185 256 F CA -0.599 57.468 58.000 0.112 0.000 1.114 256 F CB 0.471 39.553 39.000 0.137 0.000 1.199 256 F HN -0.222 nan 8.300 nan 0.000 0.513 257 R N 1.534 122.105 120.500 0.118 0.000 2.159 257 R HA -0.224 4.116 4.340 -0.000 0.000 0.249 257 R C 1.317 177.640 176.300 0.038 0.000 1.136 257 R CA 2.223 58.368 56.100 0.075 0.000 0.951 257 R CB -0.185 30.130 30.300 0.024 0.000 0.876 257 R HN 0.323 nan 8.270 nan 0.000 0.440 258 E N -1.357 118.794 120.200 -0.081 0.000 2.285 258 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 258 E C 1.748 178.295 176.600 -0.088 0.000 0.997 258 E CA 0.765 57.081 56.400 -0.140 0.000 0.845 258 E CB -0.127 29.407 29.700 -0.276 0.000 0.782 258 E HN 0.476 nan 8.360 nan 0.000 0.491 259 H N -0.952 118.183 119.070 0.108 0.000 2.544 259 H HA 0.232 4.788 4.556 -0.000 0.000 0.269 259 H C -0.032 175.358 175.328 0.104 0.000 0.970 259 H CA 0.256 56.373 56.048 0.115 0.000 1.219 259 H CB 0.401 30.271 29.762 0.180 0.000 1.421 259 H HN -0.044 nan 8.280 nan 0.000 0.555 260 V N 0.941 120.983 119.914 0.213 0.000 2.769 260 V HA 0.382 4.502 4.120 -0.000 0.000 0.312 260 V C -0.502 175.675 176.094 0.139 0.000 1.061 260 V CA -0.777 61.625 62.300 0.170 0.000 0.931 260 V CB 3.105 35.043 31.823 0.192 0.000 1.010 260 V HN -0.083 nan 8.190 nan 0.000 0.433 261 V N 3.340 123.332 119.914 0.130 0.000 2.925 261 V HA 0.631 4.751 4.120 -0.000 0.000 0.311 261 V C -0.210 175.977 176.094 0.155 0.000 1.104 261 V CA -0.083 62.303 62.300 0.143 0.000 0.954 261 V CB 2.851 34.749 31.823 0.125 0.000 1.022 261 V HN 0.948 nan 8.190 nan 0.000 0.427 262 T N 3.105 117.754 114.554 0.158 0.000 2.902 262 T HA 0.275 4.625 4.350 -0.000 0.000 0.283 262 T C 0.859 175.630 174.700 0.118 0.000 1.009 262 T CA 0.032 62.220 62.100 0.148 0.000 1.051 262 T CB 1.605 70.517 68.868 0.073 0.000 0.999 262 T HN 0.916 nan 8.240 nan 0.000 0.474 263 E N 1.759 122.033 120.200 0.123 0.000 2.204 263 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 263 E C 1.890 178.520 176.600 0.049 0.000 0.990 263 E CA 1.139 57.597 56.400 0.096 0.000 0.821 263 E CB 0.158 29.927 29.700 0.115 0.000 0.750 263 E HN 0.620 nan 8.360 nan 0.000 0.477 264 Q N 0.083 119.880 119.800 -0.005 0.000 2.167 264 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 264 Q C 1.654 177.632 176.000 -0.037 0.000 0.970 264 Q CA 1.252 57.029 55.803 -0.042 0.000 0.855 264 Q CB 0.154 28.825 28.738 -0.111 0.000 0.911 264 Q HN 0.357 nan 8.270 nan 0.000 0.438 265 E N -0.696 119.495 120.200 -0.015 0.000 2.107 265 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 265 E C 2.021 178.616 176.600 -0.007 0.000 0.982 265 E CA 0.970 57.343 56.400 -0.045 0.000 0.809 265 E CB 0.204 29.927 29.700 0.037 0.000 0.756 265 E HN 0.135 nan 8.360 nan 0.000 0.459 266 V N 2.129 122.123 119.914 0.133 0.000 2.343 266 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 266 V C 2.509 178.668 176.094 0.108 0.000 1.051 266 V CA 2.257 64.682 62.300 0.208 0.000 1.036 266 V CB -0.456 31.464 31.823 0.161 0.000 0.654 266 V HN 0.397 nan 8.190 nan 0.000 0.451 267 Q N -0.912 118.916 119.800 0.047 0.000 2.269 267 Q HA -0.113 4.227 4.340 -0.000 0.000 0.201 267 Q C 1.761 177.754 176.000 -0.011 0.000 0.946 267 Q CA 1.517 57.334 55.803 0.023 0.000 0.877 267 Q CB -0.027 28.721 28.738 0.017 0.000 0.963 267 Q HN 0.670 nan 8.270 nan 0.000 0.472 268 E N 0.785 120.955 120.200 -0.050 0.000 2.134 268 E HA 0.078 4.428 4.350 -0.000 0.000 0.194 268 E C 1.797 178.305 176.600 -0.154 0.000 0.937 268 E CA 0.056 56.405 56.400 -0.086 0.000 0.874 268 E CB 0.333 29.981 29.700 -0.087 0.000 0.853 268 E HN 0.085 nan 8.360 nan 0.000 0.471 269 K N -0.284 119.938 120.400 -0.297 0.000 2.167 269 K HA 0.011 4.331 4.320 -0.000 0.000 0.203 269 K C 0.049 176.258 176.600 -0.652 0.000 1.052 269 K CA 0.828 56.782 56.287 -0.555 0.000 0.956 269 K CB 0.337 32.320 32.500 -0.860 0.000 0.735 269 K HN 0.032 nan 8.250 nan 0.000 0.451 270 Y N -2.141 118.163 120.300 0.006 0.000 2.772 270 Y HA 0.343 4.893 4.550 -0.000 0.000 0.324 270 Y C 1.485 177.390 175.900 0.008 0.000 1.169 270 Y CA -1.030 57.075 58.100 0.008 0.000 1.198 270 Y CB 0.703 39.170 38.460 0.012 0.000 1.402 270 Y HN -0.179 nan 8.280 nan 0.000 0.577 271 G N -0.931 107.989 108.800 0.200 0.000 2.985 271 G HA2 0.340 4.300 3.960 -0.000 0.000 0.209 271 G HA3 0.340 4.300 3.960 -0.000 0.000 0.209 271 G C 1.042 175.990 174.900 0.079 0.000 1.165 271 G CA 0.314 45.475 45.100 0.102 0.000 0.776 271 G HN 1.257 nan 8.290 nan 0.000 0.541 272 G N -0.944 107.916 108.800 0.099 0.000 2.176 272 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.232 272 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.232 272 G C 0.548 175.487 174.900 0.066 0.000 0.986 272 G CA 0.375 45.520 45.100 0.074 0.000 0.643 272 G HN 1.404 nan 8.290 nan 0.000 0.522 273 V N -0.457 119.499 119.914 0.070 0.000 2.219 273 V HA 0.663 4.783 4.120 -0.000 0.000 0.267 273 V C 0.856 176.952 176.094 0.003 0.000 1.266 273 V CA -0.238 62.082 62.300 0.033 0.000 1.270 273 V CB -0.041 31.796 31.823 0.023 0.000 1.356 273 V HN 0.849 nan 8.190 nan 0.000 0.490 274 R N 2.797 123.305 120.500 0.013 0.000 2.870 274 R HA -0.028 4.312 4.340 -0.000 0.000 0.283 274 R C -2.293 173.960 176.300 -0.079 0.000 0.805 274 R CA -0.119 55.971 56.100 -0.016 0.000 1.110 274 R CB -0.760 29.547 30.300 0.013 0.000 0.900 274 R HN 0.514 nan 8.270 nan 0.000 0.406 275 P HA -0.086 nan 4.420 nan 0.000 0.262 275 P C -0.742 176.492 177.300 -0.108 0.000 1.182 275 P CA 0.296 63.261 63.100 -0.226 0.000 0.761 275 P CB 0.486 31.945 31.700 -0.401 0.000 0.795 276 E N 1.668 121.821 120.200 -0.077 0.000 2.437 276 E HA 0.194 4.544 4.350 -0.000 0.000 0.263 276 E C 1.398 177.984 176.600 -0.023 0.000 1.030 276 E CA 0.689 57.066 56.400 -0.038 0.000 0.934 276 E CB -0.078 29.604 29.700 -0.029 0.000 0.943 276 E HN 0.734 nan 8.360 nan 0.000 0.444 277 G N 2.438 111.238 108.800 0.001 0.000 2.579 277 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.222 277 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.222 277 G C 0.076 175.001 174.900 0.042 0.000 1.201 277 G CA -0.016 45.098 45.100 0.024 0.000 0.710 277 G HN 0.421 nan 8.290 nan 0.000 0.516 278 K N 1.027 121.447 120.400 0.034 0.000 2.355 278 K HA 0.414 4.734 4.320 -0.000 0.000 0.270 278 K C 0.451 177.086 176.600 0.058 0.000 1.003 278 K CA -0.165 56.158 56.287 0.060 0.000 0.957 278 K CB 1.170 33.696 32.500 0.043 0.000 0.939 278 K HN 0.424 nan 8.250 nan 0.000 0.482 279 I N 3.157 123.773 120.570 0.077 0.000 2.416 279 I HA -0.031 4.139 4.170 -0.000 0.000 0.288 279 I C 0.321 176.478 176.117 0.066 0.000 1.051 279 I CA -0.701 60.634 61.300 0.058 0.000 1.375 279 I CB 0.431 38.458 38.000 0.045 0.000 1.407 279 I HN 0.288 nan 8.210 nan 0.000 0.516 280 L N 9.079 130.336 121.223 0.057 0.000 2.418 280 L HA 0.212 4.552 4.340 -0.000 0.000 0.274 280 L C -0.353 176.566 176.870 0.081 0.000 1.135 280 L CA 0.364 55.248 54.840 0.073 0.000 0.870 280 L CB 0.728 42.821 42.059 0.056 0.000 1.154 280 L HN 0.299 nan 8.230 nan 0.000 0.462 281 V N 7.329 127.318 119.914 0.125 0.000 2.334 281 V HA 0.448 4.568 4.120 -0.000 0.000 0.281 281 V C 0.088 176.342 176.094 0.267 0.000 1.016 281 V CA -0.477 61.904 62.300 0.135 0.000 0.832 281 V CB 0.679 32.581 31.823 0.132 0.000 0.999 281 V HN 1.018 nan 8.190 nan 0.000 0.439 282 N N 3.358 122.174 118.700 0.192 0.000 3.167 282 N HA 0.702 5.442 4.740 -0.000 0.000 0.323 282 N C -1.898 173.753 175.510 0.236 0.000 1.478 282 N CA -0.966 52.261 53.050 0.296 0.000 0.753 282 N CB 2.574 41.190 38.487 0.214 0.000 1.721 282 N HN 0.562 nan 8.380 nan 0.000 0.618 283 D N -0.748 119.833 120.400 0.303 0.000 2.736 283 D HA 0.348 4.988 4.640 -0.000 0.000 0.223 283 D C -1.197 175.244 176.300 0.235 0.000 1.231 283 D CA -0.619 53.551 54.000 0.284 0.000 0.818 283 D CB 2.371 43.431 40.800 0.433 0.000 1.587 283 D HN 0.368 nan 8.370 nan 0.000 0.463 284 R N 1.442 122.016 120.500 0.124 0.000 2.686 284 R HA 0.463 4.803 4.340 -0.000 0.000 0.283 284 R C -0.187 175.958 176.300 -0.258 0.000 0.978 284 R CA -0.841 55.244 56.100 -0.025 0.000 0.897 284 R CB 1.999 32.258 30.300 -0.069 0.000 1.192 284 R HN 0.542 nan 8.270 nan 0.000 0.457 285 I N 2.052 122.446 120.570 -0.293 0.000 2.648 285 I HA -0.075 4.095 4.170 -0.000 0.000 0.284 285 I C 1.757 177.700 176.117 -0.289 0.000 1.153 285 I CA 0.269 61.312 61.300 -0.429 0.000 1.426 285 I CB 1.141 38.990 38.000 -0.251 0.000 1.381 285 I HN 0.748 nan 8.210 nan 0.000 0.571 286 A N 5.317 127.961 122.820 -0.294 0.000 1.917 286 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 286 A C 1.966 179.464 177.584 -0.143 0.000 1.182 286 A CA 2.179 54.094 52.037 -0.204 0.000 0.633 286 A CB -0.595 18.292 19.000 -0.188 0.000 0.819 286 A HN 0.919 nan 8.150 nan 0.000 0.448 287 D N -0.167 120.162 120.400 -0.119 0.000 2.097 287 D HA -0.243 4.397 4.640 -0.000 0.000 0.195 287 D C 1.736 177.981 176.300 -0.091 0.000 0.989 287 D CA 1.513 55.463 54.000 -0.083 0.000 0.827 287 D CB -1.186 39.576 40.800 -0.063 0.000 0.966 287 D HN 0.646 nan 8.370 nan 0.000 0.456 288 N N -0.246 118.394 118.700 -0.101 0.000 2.104 288 N HA -0.211 4.529 4.740 -0.000 0.000 0.190 288 N C 1.959 177.388 175.510 -0.136 0.000 1.024 288 N CA 1.357 54.350 53.050 -0.096 0.000 0.853 288 N CB -0.173 38.268 38.487 -0.077 0.000 1.008 288 N HN 0.047 nan 8.380 nan 0.000 0.424 289 M N 1.275 120.770 119.600 -0.175 0.000 2.106 289 M HA -0.114 4.366 4.480 -0.000 0.000 0.259 289 M C 1.886 178.047 176.300 -0.232 0.000 1.068 289 M CA 1.311 56.459 55.300 -0.253 0.000 1.100 289 M CB -0.343 32.115 32.600 -0.236 0.000 1.351 289 M HN 0.204 nan 8.290 nan 0.000 0.404 290 L N -0.810 120.320 121.223 -0.154 0.000 2.046 290 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 290 L C 2.661 179.460 176.870 -0.119 0.000 1.077 290 L CA 1.927 56.696 54.840 -0.120 0.000 0.747 290 L CB -0.897 41.118 42.059 -0.075 0.000 0.896 290 L HN 0.486 nan 8.230 nan 0.000 0.432 291 Q N -0.482 119.256 119.800 -0.103 0.000 2.084 291 Q HA -0.248 4.092 4.340 -0.000 0.000 0.202 291 Q C 2.290 178.235 176.000 -0.093 0.000 0.978 291 Q CA 1.406 57.161 55.803 -0.080 0.000 0.844 291 Q CB 0.053 28.757 28.738 -0.055 0.000 0.898 291 Q HN 0.454 nan 8.270 nan 0.000 0.426 292 Q N 0.535 120.250 119.800 -0.142 0.000 2.124 292 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 292 Q C 2.246 178.148 176.000 -0.164 0.000 0.977 292 Q CA 1.599 57.311 55.803 -0.151 0.000 0.850 292 Q CB -0.417 28.151 28.738 -0.283 0.000 0.901 292 Q HN 0.715 nan 8.270 nan 0.000 0.429 293 I N -2.990 117.445 120.570 -0.225 0.000 2.614 293 I HA -0.143 4.027 4.170 -0.000 0.000 0.258 293 I C 1.877 177.969 176.117 -0.042 0.000 1.189 293 I CA 1.073 62.295 61.300 -0.130 0.000 1.462 293 I CB -0.249 37.666 38.000 -0.142 0.000 1.092 293 I HN -0.031 nan 8.210 nan 0.000 0.442 294 I N 1.586 122.116 120.570 -0.065 0.000 2.494 294 I HA -0.131 4.039 4.170 -0.000 0.000 0.250 294 I C 2.603 178.831 176.117 0.186 0.000 1.112 294 I CA 1.534 62.819 61.300 -0.024 0.000 1.438 294 I CB -0.266 37.676 38.000 -0.097 0.000 1.111 294 I HN 0.379 nan 8.210 nan 0.000 0.431 295 T N -2.046 112.544 114.554 0.059 0.000 3.009 295 T HA 0.087 4.437 4.350 -0.000 0.000 0.258 295 T C 1.424 176.004 174.700 -0.201 0.000 1.063 295 T CA 0.310 62.452 62.100 0.069 0.000 1.139 295 T CB 0.028 68.918 68.868 0.038 0.000 0.890 295 T HN 0.113 nan 8.240 nan 0.000 0.471 296 R N 1.277 121.527 120.500 -0.417 0.000 2.718 296 R HA 0.286 4.626 4.340 -0.000 0.000 0.307 296 R C -2.095 173.622 176.300 -0.971 0.000 1.244 296 R CA -1.467 53.959 56.100 -1.122 0.000 1.348 296 R CB 1.253 31.185 30.300 -0.614 0.000 1.304 296 R HN 0.230 nan 8.270 nan 0.000 0.663 297 P HA -0.179 nan 4.420 nan 0.000 0.218 297 P C 0.769 178.023 177.300 -0.078 0.000 1.148 297 P CA 1.079 64.113 63.100 -0.110 0.000 0.822 297 P CB -0.025 31.747 31.700 0.120 0.000 0.784 298 W N 0.498 121.804 121.300 0.009 0.000 2.468 298 W HA -0.007 4.653 4.660 -0.000 0.000 0.262 298 W C 0.765 177.226 176.519 -0.098 0.000 1.241 298 W CA 0.628 57.946 57.345 -0.044 0.000 1.232 298 W CB -1.837 27.562 29.460 -0.101 0.000 1.124 298 W HN -0.152 nan 8.180 nan 0.000 0.597 299 D N -0.711 119.456 120.400 -0.388 0.000 2.349 299 D HA 0.006 4.646 4.640 -0.000 0.000 0.224 299 D C -0.622 175.207 176.300 -0.785 0.000 1.029 299 D CA 0.595 54.261 54.000 -0.557 0.000 0.879 299 D CB -0.268 40.016 40.800 -0.861 0.000 0.906 299 D HN 0.146 nan 8.370 nan 0.000 0.528 300 Y N -0.310 119.969 120.300 -0.035 0.000 2.462 300 Y HA 0.411 4.961 4.550 -0.000 0.000 0.346 300 Y C 1.138 177.055 175.900 0.028 0.000 0.976 300 Y CA -0.722 57.373 58.100 -0.010 0.000 1.044 300 Y CB 1.912 40.350 38.460 -0.037 0.000 1.230 300 Y HN -0.328 nan 8.280 nan 0.000 0.455 301 Q N 0.546 120.452 119.800 0.177 0.000 2.164 301 Q HA 0.329 4.669 4.340 -0.000 0.000 0.165 301 Q C -0.825 175.257 176.000 0.136 0.000 0.570 301 Q CA -0.313 55.577 55.803 0.144 0.000 0.759 301 Q CB 0.584 29.392 28.738 0.118 0.000 1.059 301 Q HN 0.362 nan 8.270 nan 0.000 0.464 302 V N 2.893 122.873 119.914 0.109 0.000 2.461 302 V HA 0.288 4.408 4.120 -0.000 0.000 0.275 302 V C -0.312 175.819 176.094 0.062 0.000 1.047 302 V CA 0.036 62.376 62.300 0.067 0.000 0.955 302 V CB 0.779 32.595 31.823 -0.011 0.000 0.988 302 V HN 0.247 nan 8.190 nan 0.000 0.471 303 I N 5.189 125.801 120.570 0.070 0.000 2.406 303 I HA 0.453 4.623 4.170 -0.000 0.000 0.290 303 I C -0.534 175.630 176.117 0.078 0.000 0.999 303 I CA -0.669 60.663 61.300 0.053 0.000 1.124 303 I CB 2.057 40.069 38.000 0.019 0.000 1.289 303 I HN 0.275 nan 8.210 nan 0.000 0.441 304 V N 5.661 125.620 119.914 0.075 0.000 2.417 304 V HA 0.844 4.964 4.120 -0.000 0.000 0.291 304 V C 0.028 176.232 176.094 0.183 0.000 1.024 304 V CA -0.326 62.064 62.300 0.149 0.000 0.861 304 V CB 1.386 33.269 31.823 0.100 0.000 0.985 304 V HN 0.854 nan 8.190 nan 0.000 0.436 305 A N 7.222 130.128 122.820 0.143 0.000 2.572 305 A HA 0.971 5.291 4.320 -0.000 0.000 0.295 305 A C -3.047 174.342 177.584 -0.325 0.000 1.072 305 A CA -1.652 50.298 52.037 -0.145 0.000 0.691 305 A CB 2.213 21.120 19.000 -0.156 0.000 1.291 305 A HN 0.549 nan 8.150 nan 0.000 0.404 306 P HA 0.056 nan 4.420 nan 0.000 0.271 306 P C 0.570 177.648 177.300 -0.370 0.000 1.244 306 P CA -0.184 62.551 63.100 -0.608 0.000 0.793 306 P CB 0.609 31.868 31.700 -0.735 0.000 0.984 307 N N 0.257 118.768 118.700 -0.316 0.000 2.021 307 N HA -0.195 4.545 4.740 -0.000 0.000 0.198 307 N C 1.702 176.839 175.510 -0.621 0.000 1.041 307 N CA 1.569 54.378 53.050 -0.402 0.000 0.862 307 N CB -0.973 37.248 38.487 -0.444 0.000 1.048 307 N HN 0.379 nan 8.380 nan 0.000 0.427 308 L N 0.941 121.689 121.223 -0.793 0.000 2.005 308 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 308 L C 1.816 178.313 176.870 -0.621 0.000 1.072 308 L CA 1.401 55.749 54.840 -0.819 0.000 0.744 308 L CB -0.529 41.110 42.059 -0.701 0.000 0.895 308 L HN 0.118 nan 8.230 nan 0.000 0.433 309 N N 0.556 118.955 118.700 -0.501 0.000 2.094 309 N HA -0.173 4.567 4.740 -0.000 0.000 0.191 309 N C 1.734 177.115 175.510 -0.216 0.000 1.023 309 N CA 1.602 54.436 53.050 -0.360 0.000 0.857 309 N CB -0.974 37.323 38.487 -0.316 0.000 1.013 309 N HN 0.556 nan 8.380 nan 0.000 0.426 310 G N 0.446 109.120 108.800 -0.210 0.000 2.418 310 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 310 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 310 G C 1.354 176.225 174.900 -0.049 0.000 1.158 310 G CA 1.098 46.128 45.100 -0.116 0.000 0.771 310 G HN 0.326 nan 8.290 nan 0.000 0.545 311 D N -0.460 119.917 120.400 -0.037 0.000 2.092 311 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 311 D C 2.163 178.598 176.300 0.224 0.000 0.994 311 D CA 0.964 55.032 54.000 0.114 0.000 0.828 311 D CB -0.253 40.688 40.800 0.235 0.000 0.963 311 D HN 0.289 nan 8.370 nan 0.000 0.450 312 Y N 0.005 120.284 120.300 -0.036 0.000 2.181 312 Y HA -0.029 4.521 4.550 0.000 0.000 0.288 312 Y C 2.399 178.266 175.900 -0.056 0.000 1.146 312 Y CA 0.306 58.382 58.100 -0.039 0.000 1.164 312 Y CB -1.029 37.401 38.460 -0.050 0.000 0.982 312 Y HN 0.082 nan 8.280 nan 0.000 0.515 313 I N -0.067 120.558 120.570 0.092 0.000 2.286 313 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 313 I C 2.508 178.622 176.117 -0.004 0.000 1.104 313 I CA 1.591 62.896 61.300 0.008 0.000 1.397 313 I CB -0.532 37.442 38.000 -0.044 0.000 1.072 313 I HN 0.181 nan 8.210 nan 0.000 0.417 314 S N -0.509 115.193 115.700 0.003 0.000 2.383 314 S HA -0.173 4.297 4.470 -0.000 0.000 0.227 314 S C 1.833 176.437 174.600 0.006 0.000 1.026 314 S CA 1.266 59.465 58.200 -0.002 0.000 0.981 314 S CB -0.640 62.551 63.200 -0.015 0.000 0.818 314 S HN 0.427 nan 8.310 nan 0.000 0.472 315 D N 2.352 122.760 120.400 0.014 0.000 2.117 315 D HA 0.103 4.743 4.640 -0.000 0.000 0.198 315 D C 2.320 178.609 176.300 -0.018 0.000 0.982 315 D CA 1.426 55.427 54.000 0.002 0.000 0.828 315 D CB -0.686 40.113 40.800 -0.002 0.000 0.967 315 D HN 0.528 nan 8.370 nan 0.000 0.464 316 A N 1.096 123.897 122.820 -0.031 0.000 1.902 316 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 316 A C 2.320 179.870 177.584 -0.055 0.000 1.181 316 A CA 2.323 54.327 52.037 -0.056 0.000 0.623 316 A CB -0.760 18.201 19.000 -0.065 0.000 0.818 316 A HN 0.234 nan 8.150 nan 0.000 0.443 317 A N -0.550 122.249 122.820 -0.036 0.000 1.877 317 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 317 A C 2.447 180.038 177.584 0.012 0.000 1.186 317 A CA 2.142 54.168 52.037 -0.019 0.000 0.620 317 A CB -0.965 18.035 19.000 0.001 0.000 0.822 317 A HN 0.458 nan 8.150 nan 0.000 0.443 318 S N -0.161 115.553 115.700 0.024 0.000 2.383 318 S HA -0.070 4.400 4.470 -0.000 0.000 0.229 318 S C 2.257 176.882 174.600 0.043 0.000 1.030 318 S CA 1.203 59.434 58.200 0.050 0.000 1.002 318 S CB -0.454 62.773 63.200 0.046 0.000 0.829 318 S HN 0.807 nan 8.310 nan 0.000 0.467 319 A N 1.407 124.231 122.820 0.007 0.000 1.933 319 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 319 A C 2.059 179.635 177.584 -0.012 0.000 1.175 319 A CA 1.039 53.072 52.037 -0.007 0.000 0.628 319 A CB -0.696 18.284 19.000 -0.034 0.000 0.814 319 A HN 0.465 nan 8.150 nan 0.000 0.444 320 L N -0.976 120.223 121.223 -0.041 0.000 2.127 320 L HA -0.130 4.210 4.340 -0.000 0.000 0.211 320 L C 2.077 178.987 176.870 0.068 0.000 1.089 320 L CA 0.875 55.679 54.840 -0.060 0.000 0.757 320 L CB -0.312 41.634 42.059 -0.188 0.000 0.899 320 L HN 0.256 nan 8.230 nan 0.000 0.434 321 V N -0.427 119.549 119.914 0.104 0.000 3.647 321 V HA 0.194 4.314 4.120 -0.000 0.000 0.279 321 V C 1.448 177.690 176.094 0.247 0.000 1.314 321 V CA 0.863 63.284 62.300 0.201 0.000 1.125 321 V CB -0.008 31.944 31.823 0.215 0.000 0.907 321 V HN 0.674 nan 8.190 nan 0.000 0.434 322 G N 0.568 109.454 108.800 0.142 0.000 2.179 322 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.257 322 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.257 322 G C 0.810 175.785 174.900 0.124 0.000 1.010 322 G CA 0.334 45.502 45.100 0.113 0.000 0.736 322 G HN 0.848 nan 8.290 nan 0.000 0.513 323 G N -0.686 108.194 108.800 0.133 0.000 3.434 323 G HA2 0.480 4.440 3.960 -0.000 0.000 0.258 323 G HA3 0.480 4.440 3.960 -0.000 0.000 0.258 323 G C 1.478 176.437 174.900 0.098 0.000 1.128 323 G CA 0.472 45.656 45.100 0.139 0.000 0.792 323 G HN 0.513 nan 8.290 nan 0.000 0.539 324 I N 1.244 121.857 120.570 0.071 0.000 2.127 324 I HA -0.136 4.034 4.170 -0.000 0.000 0.241 324 I C 2.852 179.005 176.117 0.061 0.000 1.075 324 I CA 1.535 62.869 61.300 0.056 0.000 1.334 324 I CB -0.123 37.899 38.000 0.037 0.000 1.040 324 I HN 0.239 nan 8.210 nan 0.000 0.405 325 G N -0.076 108.747 108.800 0.039 0.000 2.679 325 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.212 325 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.212 325 G C 1.439 176.371 174.900 0.053 0.000 1.137 325 G CA 0.184 45.292 45.100 0.014 0.000 0.787 325 G HN 0.317 nan 8.290 nan 0.000 0.534 326 M N 0.281 119.923 119.600 0.070 0.000 2.313 326 M HA 0.331 4.811 4.480 -0.000 0.000 0.273 326 M C 1.032 177.387 176.300 0.092 0.000 1.049 326 M CA -0.287 55.052 55.300 0.066 0.000 1.004 326 M CB 1.091 33.718 32.600 0.045 0.000 1.461 326 M HN 0.123 nan 8.290 nan 0.000 0.514 327 A N 1.926 124.807 122.820 0.102 0.000 2.491 327 A HA 0.604 4.924 4.320 -0.000 0.000 0.261 327 A C 0.432 178.047 177.584 0.051 0.000 1.101 327 A CA -0.139 51.950 52.037 0.088 0.000 0.772 327 A CB -0.073 18.968 19.000 0.068 0.000 1.043 327 A HN 0.431 nan 8.150 nan 0.000 0.501 328 A N 2.337 125.191 122.820 0.057 0.000 2.286 328 A HA 0.853 5.173 4.320 -0.000 0.000 0.286 328 A C 0.583 178.165 177.584 -0.003 0.000 1.097 328 A CA 0.171 52.225 52.037 0.028 0.000 0.821 328 A CB 0.843 19.884 19.000 0.067 0.000 1.076 328 A HN 2.055 nan 8.150 nan 0.000 0.490 329 G N -0.865 107.915 108.800 -0.033 0.000 2.660 329 G HA2 0.589 4.549 3.960 -0.000 0.000 0.290 329 G HA3 0.589 4.549 3.960 -0.000 0.000 0.290 329 G C -1.297 173.551 174.900 -0.087 0.000 1.432 329 G CA -0.402 44.655 45.100 -0.073 0.000 0.807 329 G HN 1.002 nan 8.290 nan 0.000 0.485 330 M N 0.839 120.354 119.600 -0.141 0.000 2.365 330 M HA 0.390 4.870 4.480 -0.000 0.000 0.288 330 M C -1.894 174.272 176.300 -0.224 0.000 1.152 330 M CA -0.812 54.389 55.300 -0.165 0.000 0.948 330 M CB 2.165 34.678 32.600 -0.146 0.000 1.729 330 M HN 0.480 nan 8.290 nan 0.000 0.487 331 N N 5.289 123.861 118.700 -0.214 0.000 2.408 331 N HA 0.517 5.257 4.740 -0.000 0.000 0.280 331 N C -1.440 173.887 175.510 -0.306 0.000 1.002 331 N CA -0.314 52.593 53.050 -0.238 0.000 0.907 331 N CB 2.304 40.689 38.487 -0.169 0.000 1.161 331 N HN 0.736 nan 8.380 nan 0.000 0.488 332 M N 1.478 120.851 119.600 -0.379 0.000 2.465 332 M HA 0.566 5.046 4.480 -0.000 0.000 0.316 332 M C -0.383 175.571 176.300 -0.577 0.000 1.121 332 M CA -0.536 54.492 55.300 -0.452 0.000 0.934 332 M CB 1.840 34.193 32.600 -0.412 0.000 1.692 332 M HN 0.583 nan 8.290 nan 0.000 0.444 333 G N 1.939 110.464 108.800 -0.458 0.000 3.217 333 G HA2 0.322 4.282 3.960 -0.000 0.000 0.213 333 G HA3 0.322 4.282 3.960 -0.000 0.000 0.213 333 G C -0.208 174.602 174.900 -0.150 0.000 1.294 333 G CA -0.255 44.582 45.100 -0.439 0.000 0.987 333 G HN 0.677 nan 8.290 nan 0.000 0.584 334 D N 0.283 120.745 120.400 0.102 0.000 2.106 334 D HA -0.052 4.588 4.640 -0.000 0.000 0.194 334 D C 2.125 178.204 176.300 -0.368 0.000 0.988 334 D CA 1.840 55.888 54.000 0.081 0.000 0.845 334 D CB -0.573 40.370 40.800 0.239 0.000 0.990 334 D HN 0.434 nan 8.370 nan 0.000 0.448 335 G N -0.290 108.130 108.800 -0.633 0.000 3.702 335 G HA2 0.422 4.382 3.960 -0.000 0.000 0.288 335 G HA3 0.422 4.382 3.960 -0.000 0.000 0.288 335 G C 0.061 174.759 174.900 -0.337 0.000 1.193 335 G CA -0.162 44.166 45.100 -1.286 0.000 0.952 335 G HN 0.246 nan 8.290 nan 0.000 0.544 336 I N -0.631 119.866 120.570 -0.122 0.000 2.743 336 I HA 0.673 4.843 4.170 -0.000 0.000 0.292 336 I C -1.649 174.291 176.117 -0.294 0.000 1.343 336 I CA -0.868 60.374 61.300 -0.096 0.000 1.038 336 I CB 2.098 40.046 38.000 -0.086 0.000 1.311 336 I HN 0.102 nan 8.210 nan 0.000 0.426 337 A N 6.065 128.680 122.820 -0.342 0.000 2.520 337 A HA 0.801 5.121 4.320 -0.000 0.000 0.298 337 A C -2.009 175.422 177.584 -0.255 0.000 1.051 337 A CA -0.521 51.213 52.037 -0.505 0.000 0.690 337 A CB 2.008 20.328 19.000 -1.135 0.000 1.281 337 A HN 0.460 nan 8.150 nan 0.000 0.402 338 V N 1.678 121.464 119.914 -0.213 0.000 2.409 338 V HA 0.670 4.790 4.120 -0.000 0.000 0.290 338 V C 0.446 176.474 176.094 -0.110 0.000 1.017 338 V CA -0.210 62.020 62.300 -0.117 0.000 0.841 338 V CB 1.235 33.001 31.823 -0.095 0.000 1.003 338 V HN 1.387 nan 8.190 nan 0.000 0.426 339 A N 4.900 127.686 122.820 -0.057 0.000 2.303 339 A HA 0.932 5.252 4.320 -0.000 0.000 0.317 339 A C -0.109 177.457 177.584 -0.031 0.000 1.149 339 A CA -0.358 51.655 52.037 -0.040 0.000 0.822 339 A CB 0.813 19.818 19.000 0.008 0.000 1.131 339 A HN 1.026 nan 8.150 nan 0.000 0.493 340 E N 1.411 121.579 120.200 -0.053 0.000 2.388 340 E HA 0.486 4.836 4.350 -0.000 0.000 0.281 340 E C -3.249 173.282 176.600 -0.115 0.000 1.046 340 E CA -1.958 54.396 56.400 -0.075 0.000 0.825 340 E CB 1.696 31.348 29.700 -0.080 0.000 1.243 340 E HN 0.341 nan 8.360 nan 0.000 0.438 341 P HA -0.017 nan 4.420 nan 0.000 0.272 341 P C 1.009 178.157 177.300 -0.252 0.000 1.230 341 P CA -0.418 62.518 63.100 -0.274 0.000 0.788 341 P CB 1.019 32.334 31.700 -0.641 0.000 0.949 342 V N 0.824 120.648 119.914 -0.150 0.000 2.343 342 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 342 V C 1.441 177.496 176.094 -0.065 0.000 1.051 342 V CA 1.937 64.191 62.300 -0.077 0.000 1.036 342 V CB -1.994 29.824 31.823 -0.008 0.000 0.654 342 V HN 0.763 nan 8.190 nan 0.000 0.451 343 H N -0.172 118.894 119.070 -0.006 0.000 2.822 343 H HA 0.461 5.017 4.556 0.000 0.000 0.373 343 H C 0.616 175.941 175.328 -0.004 0.000 1.223 343 H CA 0.159 56.203 56.048 -0.008 0.000 1.436 343 H CB 0.054 29.806 29.762 -0.017 0.000 1.439 343 H HN 0.152 nan 8.280 nan 0.000 0.618 344 G N -0.786 108.151 108.800 0.228 0.000 2.574 344 G HA2 0.234 4.194 3.960 -0.000 0.000 0.248 344 G HA3 0.234 4.194 3.960 -0.000 0.000 0.248 344 G C 0.761 175.791 174.900 0.216 0.000 1.422 344 G CA -0.244 44.945 45.100 0.150 0.000 1.051 344 G HN 0.932 nan 8.290 nan 0.000 0.560 345 T N -2.562 112.062 114.554 0.116 0.000 3.113 345 T HA 0.332 4.682 4.350 -0.000 0.000 0.256 345 T C 1.516 176.269 174.700 0.087 0.000 1.131 345 T CA 1.169 63.328 62.100 0.098 0.000 1.074 345 T CB -0.313 68.586 68.868 0.051 0.000 0.944 345 T HN 1.943 nan 8.240 nan 0.000 0.516 346 A N 2.905 125.778 122.820 0.090 0.000 2.364 346 A HA -0.102 4.218 4.320 -0.000 0.000 0.288 346 A C -0.280 177.373 177.584 0.114 0.000 1.433 346 A CA 0.598 52.703 52.037 0.112 0.000 0.757 346 A CB -1.634 17.416 19.000 0.084 0.000 1.098 346 A HN 0.544 nan 8.150 nan 0.000 0.380 347 P HA -0.229 nan 4.420 nan 0.000 0.218 347 P C 1.181 178.459 177.300 -0.036 0.000 1.146 347 P CA 1.840 64.941 63.100 0.001 0.000 0.813 347 P CB -0.125 31.564 31.700 -0.019 0.000 0.778 348 K N -1.424 118.926 120.400 -0.084 0.000 2.432 348 K HA -0.059 4.261 4.320 -0.000 0.000 0.196 348 K C 1.307 177.693 176.600 -0.357 0.000 1.038 348 K CA 0.791 56.937 56.287 -0.235 0.000 0.986 348 K CB -0.607 31.702 32.500 -0.318 0.000 0.782 348 K HN 0.153 nan 8.250 nan 0.000 0.485 349 Y N 1.448 121.718 120.300 -0.050 0.000 2.462 349 Y HA 0.304 4.854 4.550 -0.000 0.000 0.261 349 Y C 0.933 176.806 175.900 -0.046 0.000 1.146 349 Y CA -0.473 57.596 58.100 -0.053 0.000 1.283 349 Y CB 0.433 38.851 38.460 -0.069 0.000 1.090 349 Y HN 0.068 nan 8.280 nan 0.000 0.526 350 A N 0.636 123.495 122.820 0.065 0.000 2.522 350 A HA 0.392 4.712 4.320 -0.000 0.000 0.256 350 A C 1.607 179.198 177.584 0.013 0.000 1.086 350 A CA 0.851 52.907 52.037 0.031 0.000 0.763 350 A CB -0.891 18.103 19.000 -0.011 0.000 1.024 350 A HN 0.876 nan 8.150 nan 0.000 0.502 351 G N 2.262 111.075 108.800 0.022 0.000 2.184 351 G HA2 -0.294 3.667 3.960 -0.000 0.000 0.264 351 G HA3 -0.294 3.667 3.960 -0.000 0.000 0.264 351 G C 0.826 175.737 174.900 0.018 0.000 0.975 351 G CA 0.900 46.009 45.100 0.015 0.000 0.642 351 G HN 0.789 nan 8.290 nan 0.000 0.536 352 K N -0.037 120.383 120.400 0.033 0.000 2.426 352 K HA 0.197 4.517 4.320 -0.000 0.000 0.193 352 K C 1.085 177.706 176.600 0.036 0.000 1.028 352 K CA 0.336 56.644 56.287 0.034 0.000 1.047 352 K CB 0.181 32.709 32.500 0.046 0.000 0.821 352 K HN 0.243 nan 8.250 nan 0.000 0.513 353 D N -0.039 120.380 120.400 0.032 0.000 2.800 353 D HA -0.169 4.471 4.640 -0.000 0.000 0.232 353 D C 0.003 176.313 176.300 0.016 0.000 1.137 353 D CA 0.372 54.384 54.000 0.020 0.000 0.718 353 D CB -0.767 40.041 40.800 0.014 0.000 1.084 353 D HN 0.073 nan 8.370 nan 0.000 0.432 354 L N -0.284 120.956 121.223 0.029 0.000 2.685 354 L HA 0.447 4.787 4.340 -0.000 0.000 0.235 354 L C 1.022 177.823 176.870 -0.115 0.000 1.070 354 L CA -0.154 54.691 54.840 0.008 0.000 0.888 354 L CB -0.172 41.974 42.059 0.146 0.000 1.203 354 L HN 0.279 nan 8.230 nan 0.000 0.499 355 I N 0.874 121.362 120.570 -0.135 0.000 2.872 355 I HA -0.056 4.114 4.170 -0.000 0.000 0.291 355 I C 0.668 176.640 176.117 -0.240 0.000 1.216 355 I CA 0.263 61.398 61.300 -0.274 0.000 1.424 355 I CB 0.189 38.078 38.000 -0.186 0.000 1.351 355 I HN 0.166 nan 8.210 nan 0.000 0.592 356 N N 8.430 126.944 118.700 -0.310 0.000 2.411 356 N HA 0.258 4.998 4.740 -0.000 0.000 0.259 356 N C -2.022 173.403 175.510 -0.142 0.000 1.103 356 N CA -1.888 50.997 53.050 -0.275 0.000 0.954 356 N CB 0.966 39.269 38.487 -0.307 0.000 1.085 356 N HN 0.359 nan 8.380 nan 0.000 0.485 357 P HA 0.109 nan 4.420 nan 0.000 0.255 357 P C 0.687 178.046 177.300 0.099 0.000 1.248 357 P CA 0.153 63.290 63.100 0.063 0.000 0.807 357 P CB 0.471 32.231 31.700 0.099 0.000 1.150 358 S N 0.947 116.700 115.700 0.089 0.000 2.370 358 S HA -0.135 4.335 4.470 -0.000 0.000 0.226 358 S C 2.126 176.743 174.600 0.028 0.000 1.033 358 S CA 1.525 59.767 58.200 0.071 0.000 1.011 358 S CB -0.790 62.414 63.200 0.007 0.000 0.852 358 S HN 0.258 nan 8.310 nan 0.000 0.457 359 A N 1.159 124.018 122.820 0.066 0.000 1.902 359 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 359 A C 2.043 179.653 177.584 0.044 0.000 1.181 359 A CA 1.930 54.014 52.037 0.078 0.000 0.623 359 A CB -0.600 18.508 19.000 0.180 0.000 0.818 359 A HN 0.473 nan 8.150 nan 0.000 0.443 360 E N 0.055 120.294 120.200 0.065 0.000 2.072 360 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 360 E C 1.728 178.344 176.600 0.026 0.000 0.985 360 E CA 1.106 57.523 56.400 0.028 0.000 0.801 360 E CB -0.327 29.396 29.700 0.039 0.000 0.750 360 E HN 0.641 nan 8.360 nan 0.000 0.452 361 I N -0.000 120.588 120.570 0.031 0.000 2.208 361 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 361 I C 1.759 177.902 176.117 0.043 0.000 1.097 361 I CA 0.530 61.847 61.300 0.028 0.000 1.363 361 I CB -0.182 37.831 38.000 0.020 0.000 1.051 361 I HN 0.218 nan 8.210 nan 0.000 0.413 362 L N 0.140 121.380 121.223 0.029 0.000 2.217 362 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 362 L C 2.643 179.561 176.870 0.080 0.000 1.107 362 L CA 1.558 56.427 54.840 0.048 0.000 0.783 362 L CB -1.121 40.946 42.059 0.013 0.000 0.919 362 L HN 0.147 nan 8.230 nan 0.000 0.442 363 S N -0.151 115.583 115.700 0.057 0.000 2.368 363 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 363 S C 2.179 176.833 174.600 0.089 0.000 1.029 363 S CA 1.030 59.264 58.200 0.057 0.000 0.988 363 S CB -0.306 62.903 63.200 0.016 0.000 0.838 363 S HN 0.501 nan 8.310 nan 0.000 0.462 364 A N 1.266 124.146 122.820 0.101 0.000 1.902 364 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 364 A C 2.305 179.987 177.584 0.163 0.000 1.181 364 A CA 1.978 54.108 52.037 0.155 0.000 0.623 364 A CB -1.121 17.978 19.000 0.165 0.000 0.818 364 A HN 0.465 nan 8.150 nan 0.000 0.443 365 S N -0.806 114.982 115.700 0.146 0.000 2.382 365 S HA -0.096 4.374 4.470 -0.000 0.000 0.228 365 S C 1.931 176.633 174.600 0.170 0.000 1.027 365 S CA 1.267 59.562 58.200 0.158 0.000 0.991 365 S CB -0.454 62.833 63.200 0.145 0.000 0.823 365 S HN 0.502 nan 8.310 nan 0.000 0.469 366 L N 0.862 122.189 121.223 0.173 0.000 1.989 366 L HA -0.078 4.262 4.340 -0.000 0.000 0.211 366 L C 2.485 179.481 176.870 0.209 0.000 1.071 366 L CA 1.623 56.591 54.840 0.213 0.000 0.749 366 L CB -0.553 41.621 42.059 0.192 0.000 0.890 366 L HN 0.419 nan 8.230 nan 0.000 0.431 367 L N -0.270 121.054 121.223 0.167 0.000 1.971 367 L HA -0.320 4.020 4.340 -0.000 0.000 0.215 367 L C 2.484 179.448 176.870 0.157 0.000 1.072 367 L CA 2.067 57.007 54.840 0.167 0.000 0.758 367 L CB -0.232 41.905 42.059 0.130 0.000 0.889 367 L HN 0.294 nan 8.230 nan 0.000 0.433 368 I N -1.134 119.497 120.570 0.102 0.000 2.339 368 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 368 I C 2.533 178.698 176.117 0.081 0.000 1.096 368 I CA 1.085 62.388 61.300 0.005 0.000 1.408 368 I CB -0.605 37.423 38.000 0.048 0.000 1.092 368 I HN 0.275 nan 8.210 nan 0.000 0.423 369 G N 0.303 109.198 108.800 0.158 0.000 2.402 369 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.216 369 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.216 369 G C 1.514 176.474 174.900 0.100 0.000 1.162 369 G CA 0.642 45.849 45.100 0.178 0.000 0.777 369 G HN 0.412 nan 8.290 nan 0.000 0.539 370 E N -0.952 119.287 120.200 0.064 0.000 2.152 370 E HA 0.154 4.504 4.350 -0.000 0.000 0.195 370 E C 2.032 178.574 176.600 -0.096 0.000 0.934 370 E CA -0.113 56.231 56.400 -0.093 0.000 0.869 370 E CB -0.108 29.504 29.700 -0.147 0.000 0.842 370 E HN 0.335 nan 8.360 nan 0.000 0.472 371 F N 1.255 121.154 119.950 -0.085 0.000 2.234 371 F HA 0.112 4.639 4.527 -0.000 0.000 0.296 371 F C 1.994 177.752 175.800 -0.071 0.000 1.089 371 F CA 1.084 59.057 58.000 -0.046 0.000 1.343 371 F CB 0.191 39.213 39.000 0.037 0.000 1.040 371 F HN -0.147 nan 8.300 nan 0.000 0.498 372 M N -0.627 118.881 119.600 -0.154 0.000 2.495 372 M HA 0.244 4.724 4.480 -0.000 0.000 0.237 372 M C 1.457 177.630 176.300 -0.210 0.000 1.131 372 M CA 0.814 55.913 55.300 -0.334 0.000 1.032 372 M CB 0.034 32.363 32.600 -0.452 0.000 1.513 372 M HN 0.316 nan 8.290 nan 0.000 0.488 373 G N -0.404 108.356 108.800 -0.067 0.000 2.159 373 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.256 373 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.256 373 G C -0.513 174.571 174.900 0.306 0.000 0.977 373 G CA -0.401 44.741 45.100 0.070 0.000 0.652 373 G HN 0.493 nan 8.290 nan 0.000 0.531 374 W N 1.832 123.146 121.300 0.023 0.000 1.864 374 W HA 0.626 5.286 4.660 -0.000 0.000 0.425 374 W C 1.408 178.024 176.519 0.161 0.000 0.791 374 W CA -1.347 56.075 57.345 0.128 0.000 1.650 374 W CB -0.468 29.098 29.460 0.176 0.000 1.791 374 W HN 0.227 nan 8.180 nan 0.000 0.266 375 R N 0.500 121.175 120.500 0.291 0.000 2.091 375 R HA -0.214 4.126 4.340 -0.000 0.000 0.238 375 R C 1.573 177.958 176.300 0.142 0.000 1.136 375 R CA 2.012 58.213 56.100 0.168 0.000 0.959 375 R CB 0.233 30.595 30.300 0.103 0.000 0.856 375 R HN 0.202 nan 8.270 nan 0.000 0.437 376 E N -0.521 119.753 120.200 0.123 0.000 2.153 376 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 376 E C 1.844 178.426 176.600 -0.030 0.000 0.988 376 E CA 1.117 57.503 56.400 -0.023 0.000 0.811 376 E CB 0.014 29.595 29.700 -0.198 0.000 0.746 376 E HN 0.108 nan 8.360 nan 0.000 0.466 377 V N 1.068 121.023 119.914 0.068 0.000 2.307 377 V HA -0.292 3.828 4.120 -0.000 0.000 0.245 377 V C 2.294 178.467 176.094 0.132 0.000 1.045 377 V CA 1.997 64.366 62.300 0.115 0.000 1.024 377 V CB -0.461 31.530 31.823 0.281 0.000 0.651 377 V HN 0.238 nan 8.190 nan 0.000 0.449 378 K N 0.488 120.981 120.400 0.155 0.000 2.020 378 K HA -0.213 4.107 4.320 -0.000 0.000 0.212 378 K C 2.291 178.973 176.600 0.138 0.000 1.050 378 K CA 2.220 58.597 56.287 0.150 0.000 0.929 378 K CB -0.374 32.216 32.500 0.151 0.000 0.714 378 K HN 0.427 nan 8.250 nan 0.000 0.443 379 S N 0.853 116.617 115.700 0.107 0.000 2.359 379 S HA -0.162 4.308 4.470 -0.000 0.000 0.224 379 S C 1.923 176.594 174.600 0.119 0.000 1.035 379 S CA 1.548 59.807 58.200 0.098 0.000 1.018 379 S CB -0.324 62.905 63.200 0.047 0.000 0.876 379 S HN 0.403 nan 8.310 nan 0.000 0.448 380 I N 1.113 121.730 120.570 0.078 0.000 2.439 380 I HA -0.110 4.060 4.170 -0.000 0.000 0.251 380 I C 1.893 178.126 176.117 0.193 0.000 1.139 380 I CA 0.769 62.135 61.300 0.110 0.000 1.438 380 I CB 0.009 38.017 38.000 0.014 0.000 1.085 380 I HN 0.104 nan 8.210 nan 0.000 0.427 381 V N 0.951 120.951 119.914 0.143 0.000 2.307 381 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 381 V C 2.274 178.442 176.094 0.124 0.000 1.045 381 V CA 1.928 64.300 62.300 0.119 0.000 1.024 381 V CB -0.633 31.250 31.823 0.100 0.000 0.651 381 V HN 0.434 nan 8.190 nan 0.000 0.449 382 E N -0.644 119.660 120.200 0.173 0.000 2.110 382 E HA -0.272 4.078 4.350 -0.000 0.000 0.193 382 E C 2.110 178.837 176.600 0.211 0.000 0.988 382 E CA 1.732 58.273 56.400 0.235 0.000 0.804 382 E CB -0.321 29.570 29.700 0.318 0.000 0.745 382 E HN 0.782 nan 8.360 nan 0.000 0.458 383 Y N 1.642 121.992 120.300 0.084 0.000 2.128 383 Y HA -0.261 4.289 4.550 -0.000 0.000 0.284 383 Y C 2.292 178.204 175.900 0.021 0.000 1.154 383 Y CA 1.673 59.797 58.100 0.040 0.000 1.149 383 Y CB -0.375 38.093 38.460 0.013 0.000 0.976 383 Y HN -0.023 nan 8.280 nan 0.000 0.505 384 A N 0.474 123.269 122.820 -0.042 0.000 1.898 384 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 384 A C 2.300 179.844 177.584 -0.067 0.000 1.181 384 A CA 1.826 53.806 52.037 -0.095 0.000 0.620 384 A CB -1.086 17.983 19.000 0.115 0.000 0.819 384 A HN 0.596 nan 8.150 nan 0.000 0.442 385 I N -0.811 119.739 120.570 -0.034 0.000 2.252 385 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 385 I C 2.743 178.868 176.117 0.014 0.000 1.102 385 I CA 1.226 62.521 61.300 -0.008 0.000 1.385 385 I CB -0.300 37.642 38.000 -0.096 0.000 1.064 385 I HN 0.282 nan 8.210 nan 0.000 0.414 386 R N 0.605 121.108 120.500 0.004 0.000 2.096 386 R HA -0.194 4.146 4.340 -0.000 0.000 0.235 386 R C 2.315 178.533 176.300 -0.136 0.000 1.127 386 R CA 1.256 57.343 56.100 -0.022 0.000 0.968 386 R CB -0.303 29.994 30.300 -0.005 0.000 0.861 386 R HN 0.299 nan 8.270 nan 0.000 0.440 387 K N 0.572 120.778 120.400 -0.323 0.000 2.097 387 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 387 K C 2.073 178.548 176.600 -0.209 0.000 1.050 387 K CA 1.173 57.174 56.287 -0.476 0.000 0.938 387 K CB -0.029 31.827 32.500 -1.073 0.000 0.718 387 K HN 0.148 nan 8.250 nan 0.000 0.442 388 A N 0.551 123.406 122.820 0.058 0.000 1.877 388 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 388 A C 2.199 179.879 177.584 0.160 0.000 1.186 388 A CA 1.620 53.827 52.037 0.283 0.000 0.620 388 A CB -0.635 18.547 19.000 0.303 0.000 0.822 388 A HN 0.154 nan 8.150 nan 0.000 0.443 389 V N 0.342 120.313 119.914 0.095 0.000 2.343 389 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 389 V C 2.744 178.853 176.094 0.025 0.000 1.051 389 V CA 2.229 64.561 62.300 0.053 0.000 1.036 389 V CB -0.814 31.022 31.823 0.022 0.000 0.654 389 V HN 0.799 nan 8.190 nan 0.000 0.451 390 Q N -0.066 119.730 119.800 -0.008 0.000 2.119 390 Q HA -0.185 4.155 4.340 -0.000 0.000 0.201 390 Q C 2.143 178.145 176.000 0.003 0.000 0.972 390 Q CA 2.025 57.818 55.803 -0.017 0.000 0.847 390 Q CB -0.102 28.602 28.738 -0.057 0.000 0.903 390 Q HN 0.587 nan 8.270 nan 0.000 0.433 391 S N 0.343 116.054 115.700 0.019 0.000 2.561 391 S HA 0.045 4.515 4.470 -0.000 0.000 0.225 391 S C -0.153 174.488 174.600 0.068 0.000 0.977 391 S CA 0.443 58.677 58.200 0.056 0.000 0.926 391 S CB 0.059 63.337 63.200 0.130 0.000 0.769 391 S HN 0.400 nan 8.310 nan 0.000 0.533 392 K N 0.590 121.028 120.400 0.063 0.000 3.071 392 K HA -0.164 4.156 4.320 -0.000 0.000 0.265 392 K C -0.813 175.828 176.600 0.067 0.000 1.060 392 K CA 0.623 56.943 56.287 0.055 0.000 0.767 392 K CB -1.400 31.123 32.500 0.039 0.000 1.241 392 K HN 0.312 nan 8.250 nan 0.000 0.486 393 K N 1.565 122.031 120.400 0.109 0.000 2.290 393 K HA 0.299 4.619 4.320 -0.000 0.000 0.250 393 K C -0.137 176.576 176.600 0.189 0.000 1.092 393 K CA -0.394 55.968 56.287 0.125 0.000 1.006 393 K CB 0.916 33.493 32.500 0.127 0.000 1.549 393 K HN 0.179 nan 8.250 nan 0.000 0.436 394 V N -1.547 118.414 119.914 0.079 0.000 3.188 394 V HA 0.484 4.604 4.120 -0.000 0.000 0.305 394 V C 0.102 176.098 176.094 -0.164 0.000 1.232 394 V CA -1.211 61.045 62.300 -0.074 0.000 1.043 394 V CB 1.450 33.218 31.823 -0.093 0.000 1.068 394 V HN 0.572 nan 8.190 nan 0.000 0.439 395 T N -0.313 114.028 114.554 -0.356 0.000 2.816 395 T HA 0.364 4.714 4.350 -0.000 0.000 0.282 395 T C 0.996 175.574 174.700 -0.203 0.000 0.993 395 T CA 0.491 62.427 62.100 -0.274 0.000 0.994 395 T CB 1.120 69.764 68.868 -0.374 0.000 1.025 395 T HN 1.209 nan 8.240 nan 0.000 0.529 396 Q N 1.063 120.762 119.800 -0.167 0.000 2.170 396 Q HA -0.182 4.158 4.340 -0.000 0.000 0.203 396 Q C 1.581 177.485 176.000 -0.160 0.000 0.976 396 Q CA 2.110 57.834 55.803 -0.131 0.000 0.858 396 Q CB -0.758 27.931 28.738 -0.082 0.000 0.907 396 Q HN 0.834 nan 8.270 nan 0.000 0.433 397 D N 0.968 121.251 120.400 -0.196 0.000 2.149 397 D HA -0.203 4.437 4.640 -0.000 0.000 0.198 397 D C 1.785 178.009 176.300 -0.125 0.000 0.990 397 D CA 1.292 55.184 54.000 -0.180 0.000 0.839 397 D CB -0.283 40.398 40.800 -0.199 0.000 0.948 397 D HN 0.445 nan 8.370 nan 0.000 0.460 398 L N 0.223 121.380 121.223 -0.109 0.000 2.168 398 L HA 0.153 4.493 4.340 -0.000 0.000 0.203 398 L C 2.875 179.726 176.870 -0.032 0.000 1.078 398 L CA 0.713 55.539 54.840 -0.024 0.000 0.780 398 L CB -0.420 41.609 42.059 -0.050 0.000 0.939 398 L HN 0.013 nan 8.230 nan 0.000 0.451 399 A N 0.252 123.025 122.820 -0.078 0.000 2.024 399 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 399 A C 2.305 179.840 177.584 -0.082 0.000 1.164 399 A CA 1.303 53.304 52.037 -0.060 0.000 0.643 399 A CB -0.499 18.464 19.000 -0.062 0.000 0.806 399 A HN 0.305 nan 8.150 nan 0.000 0.451 400 R N -1.436 118.959 120.500 -0.175 0.000 2.237 400 R HA -0.089 4.251 4.340 -0.000 0.000 0.219 400 R C 0.697 176.834 176.300 -0.271 0.000 1.080 400 R CA 1.300 57.249 56.100 -0.252 0.000 0.995 400 R CB -0.259 29.808 30.300 -0.388 0.000 0.875 400 R HN 0.786 nan 8.270 nan 0.000 0.462 401 H N -1.364 117.702 119.070 -0.007 0.000 2.542 401 H HA 0.244 4.800 4.556 -0.000 0.000 0.283 401 H C -0.236 175.096 175.328 0.007 0.000 1.059 401 H CA -0.177 55.873 56.048 0.003 0.000 1.162 401 H CB 0.483 30.249 29.762 0.007 0.000 1.539 401 H HN -0.088 nan 8.280 nan 0.000 0.543 402 M N 1.681 121.324 119.600 0.072 0.000 1.987 402 M HA 0.294 4.774 4.480 -0.000 0.000 0.298 402 M C -2.729 173.587 176.300 0.026 0.000 0.892 402 M CA -2.069 53.261 55.300 0.050 0.000 0.885 402 M CB 1.812 34.436 32.600 0.040 0.000 1.469 402 M HN -0.189 nan 8.290 nan 0.000 0.389 403 P HA 0.026 nan 4.420 nan 0.000 0.260 403 P C 1.060 178.368 177.300 0.012 0.000 1.172 403 P CA 1.360 64.471 63.100 0.017 0.000 0.760 403 P CB 0.528 32.240 31.700 0.021 0.000 0.773 404 G N 1.534 110.337 108.800 0.005 0.000 2.205 404 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.261 404 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.261 404 G C 0.162 175.064 174.900 0.003 0.000 0.980 404 G CA -0.058 45.044 45.100 0.004 0.000 0.632 404 G HN 0.546 nan 8.290 nan 0.000 0.533 405 V N 1.794 121.710 119.914 0.002 0.000 2.470 405 V HA 0.422 4.542 4.120 -0.000 0.000 0.276 405 V C 0.822 176.913 176.094 -0.006 0.000 1.040 405 V CA 0.168 62.469 62.300 0.002 0.000 1.008 405 V CB 1.540 33.366 31.823 0.005 0.000 0.990 405 V HN 0.521 nan 8.190 nan 0.000 0.477 406 Q N 8.811 128.610 119.800 -0.002 0.000 2.281 406 Q HA 0.259 4.599 4.340 -0.000 0.000 0.267 406 Q C -2.421 173.573 176.000 -0.009 0.000 1.053 406 Q CA -1.084 54.716 55.803 -0.006 0.000 0.905 406 Q CB 0.848 29.585 28.738 -0.001 0.000 1.195 406 Q HN 0.497 nan 8.270 nan 0.000 0.398 407 P HA 0.097 nan 4.420 nan 0.000 0.271 407 P C -0.843 176.445 177.300 -0.020 0.000 1.218 407 P CA -0.077 63.004 63.100 -0.032 0.000 0.780 407 P CB 0.607 32.279 31.700 -0.047 0.000 0.901 408 L N 2.432 123.644 121.223 -0.019 0.000 2.357 408 L HA 0.392 4.732 4.340 -0.000 0.000 0.273 408 L C 1.278 178.142 176.870 -0.011 0.000 1.080 408 L CA -0.806 54.036 54.840 0.004 0.000 0.803 408 L CB 0.613 42.704 42.059 0.053 0.000 1.174 408 L HN 0.325 nan 8.230 nan 0.000 0.443 409 R N 0.448 120.950 120.500 0.003 0.000 2.738 409 R HA 0.081 4.421 4.340 -0.000 0.000 0.268 409 R C 1.183 177.495 176.300 0.021 0.000 1.062 409 R CA -0.214 55.887 56.100 0.002 0.000 1.158 409 R CB 0.387 30.691 30.300 0.007 0.000 1.046 409 R HN 0.641 nan 8.270 nan 0.000 0.493 410 T N 0.619 115.178 114.554 0.009 0.000 2.624 410 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 410 T C 1.919 176.661 174.700 0.069 0.000 1.041 410 T CA 2.268 64.390 62.100 0.038 0.000 1.159 410 T CB -0.352 68.522 68.868 0.011 0.000 0.863 410 T HN 0.774 nan 8.240 nan 0.000 0.434 411 S N 1.727 117.446 115.700 0.031 0.000 2.399 411 S HA -0.144 4.326 4.470 -0.000 0.000 0.231 411 S C 1.896 176.500 174.600 0.007 0.000 1.022 411 S CA 1.191 59.398 58.200 0.012 0.000 0.983 411 S CB -0.448 62.753 63.200 0.001 0.000 0.803 411 S HN 0.607 nan 8.310 nan 0.000 0.480 412 E N -0.023 120.190 120.200 0.022 0.000 2.107 412 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 412 E C 1.838 178.450 176.600 0.019 0.000 0.982 412 E CA 1.035 57.441 56.400 0.009 0.000 0.809 412 E CB -0.265 29.443 29.700 0.014 0.000 0.756 412 E HN 0.693 nan 8.360 nan 0.000 0.459 413 Y N 1.718 121.976 120.300 -0.070 0.000 2.163 413 Y HA -0.213 4.337 4.550 -0.000 0.000 0.288 413 Y C 2.353 178.202 175.900 -0.084 0.000 1.136 413 Y CA 1.771 59.825 58.100 -0.077 0.000 1.147 413 Y CB -0.541 37.880 38.460 -0.065 0.000 0.987 413 Y HN -0.099 nan 8.280 nan 0.000 0.509 414 T N 0.759 115.263 114.554 -0.083 0.000 2.653 414 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 414 T C 1.604 176.192 174.700 -0.187 0.000 1.035 414 T CA 1.890 63.895 62.100 -0.159 0.000 1.154 414 T CB -0.208 68.625 68.868 -0.058 0.000 0.862 414 T HN 0.366 nan 8.240 nan 0.000 0.441 415 E N 0.519 120.636 120.200 -0.139 0.000 2.208 415 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 415 E C 2.473 178.945 176.600 -0.213 0.000 0.988 415 E CA 0.820 57.137 56.400 -0.139 0.000 0.828 415 E CB -0.616 29.028 29.700 -0.093 0.000 0.763 415 E HN 0.448 nan 8.360 nan 0.000 0.478 416 T N 1.885 116.272 114.554 -0.279 0.000 2.746 416 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 416 T C 2.095 176.437 174.700 -0.596 0.000 1.039 416 T CA 0.730 62.556 62.100 -0.456 0.000 1.142 416 T CB -0.167 68.467 68.868 -0.391 0.000 0.866 416 T HN 0.097 nan 8.240 nan 0.000 0.444 417 L N 0.481 121.425 121.223 -0.465 0.000 2.046 417 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 417 L C 2.425 179.200 176.870 -0.158 0.000 1.077 417 L CA 0.804 55.457 54.840 -0.313 0.000 0.747 417 L CB -0.625 41.216 42.059 -0.363 0.000 0.896 417 L HN 0.231 nan 8.230 nan 0.000 0.432 418 I N 0.511 120.985 120.570 -0.160 0.000 2.226 418 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 418 I C 2.834 178.917 176.117 -0.057 0.000 1.100 418 I CA 1.657 62.909 61.300 -0.080 0.000 1.374 418 I CB -1.607 36.346 38.000 -0.078 0.000 1.057 418 I HN 0.161 nan 8.210 nan 0.000 0.413 419 A N -0.341 122.404 122.820 -0.127 0.000 1.930 419 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 419 A C 2.343 179.952 177.584 0.042 0.000 1.175 419 A CA 1.116 53.102 52.037 -0.084 0.000 0.627 419 A CB -0.988 17.919 19.000 -0.156 0.000 0.815 419 A HN 0.449 nan 8.150 nan 0.000 0.443 420 Y N -0.458 119.842 120.300 -0.001 0.000 2.181 420 Y HA -0.189 4.361 4.550 -0.000 0.000 0.288 420 Y C 2.322 178.310 175.900 0.147 0.000 1.146 420 Y CA 0.851 58.986 58.100 0.057 0.000 1.164 420 Y CB -0.281 38.162 38.460 -0.028 0.000 0.982 420 Y HN 0.214 nan 8.280 nan 0.000 0.515 421 I N 0.162 120.879 120.570 0.245 0.000 2.142 421 I HA -0.325 3.845 4.170 -0.000 0.000 0.240 421 I C 1.759 177.934 176.117 0.096 0.000 1.078 421 I CA 1.422 62.820 61.300 0.162 0.000 1.343 421 I CB -0.368 37.687 38.000 0.092 0.000 1.046 421 I HN 0.181 nan 8.210 nan 0.000 0.405 422 D N 0.573 121.015 120.400 0.070 0.000 2.178 422 D HA -0.162 4.478 4.640 -0.000 0.000 0.201 422 D C 1.784 178.111 176.300 0.045 0.000 0.980 422 D CA 1.203 55.227 54.000 0.040 0.000 0.842 422 D CB -0.130 40.684 40.800 0.023 0.000 0.948 422 D HN 0.466 nan 8.370 nan 0.000 0.472 423 E N -0.102 120.149 120.200 0.085 0.000 2.481 423 E HA 0.280 4.630 4.350 -0.000 0.000 0.198 423 E C 0.441 177.086 176.600 0.074 0.000 1.027 423 E CA -0.311 56.137 56.400 0.081 0.000 0.900 423 E CB 0.732 30.499 29.700 0.112 0.000 0.993 423 E HN 0.087 nan 8.360 nan 0.000 0.482 424 A N 1.819 124.679 122.820 0.067 0.000 2.507 424 A HA -0.037 4.283 4.320 -0.000 0.000 0.235 424 A C 0.175 177.703 177.584 -0.093 0.000 1.070 424 A CA 0.118 52.134 52.037 -0.034 0.000 0.768 424 A CB 0.280 19.188 19.000 -0.152 0.000 1.011 424 A HN 0.036 nan 8.150 nan 0.000 0.502 425 D N 2.057 122.366 120.400 -0.152 0.000 2.443 425 D HA 0.333 4.973 4.640 -0.000 0.000 0.221 425 D C 0.848 177.045 176.300 -0.172 0.000 1.097 425 D CA -0.223 53.704 54.000 -0.121 0.000 0.865 425 D CB 0.561 41.311 40.800 -0.082 0.000 1.034 425 D HN 0.450 nan 8.370 nan 0.000 0.511 426 L N 3.293 124.431 121.223 -0.141 0.000 2.291 426 L HA -0.101 4.239 4.340 -0.000 0.000 0.214 426 L C 2.157 178.958 176.870 -0.115 0.000 1.120 426 L CA 0.252 55.004 54.840 -0.147 0.000 0.799 426 L CB -0.432 41.553 42.059 -0.123 0.000 0.925 426 L HN 0.338 nan 8.230 nan 0.000 0.446 427 N N 0.929 119.576 118.700 -0.088 0.000 2.061 427 N HA -0.250 4.490 4.740 -0.000 0.000 0.193 427 N C 1.698 177.167 175.510 -0.069 0.000 1.030 427 N CA 1.938 54.949 53.050 -0.066 0.000 0.856 427 N CB 0.062 38.519 38.487 -0.050 0.000 1.023 427 N HN 0.378 nan 8.380 nan 0.000 0.424 428 E N -0.857 119.291 120.200 -0.086 0.000 2.033 428 E HA -0.028 4.322 4.350 -0.000 0.000 0.189 428 E C 1.986 178.520 176.600 -0.109 0.000 0.979 428 E CA 1.063 57.414 56.400 -0.082 0.000 0.802 428 E CB 0.010 29.663 29.700 -0.078 0.000 0.763 428 E HN 0.127 nan 8.360 nan 0.000 0.449 429 V N 1.419 121.215 119.914 -0.196 0.000 2.626 429 V HA -0.177 3.943 4.120 -0.000 0.000 0.252 429 V C 1.837 177.850 176.094 -0.135 0.000 1.067 429 V CA 1.321 63.472 62.300 -0.249 0.000 1.081 429 V CB -0.276 31.234 31.823 -0.521 0.000 0.686 429 V HN 0.258 nan 8.190 nan 0.000 0.468 430 L N -0.086 121.070 121.223 -0.112 0.000 2.769 430 L HA 0.462 4.802 4.340 -0.000 0.000 0.240 430 L C 1.028 177.871 176.870 -0.044 0.000 1.163 430 L CA -0.276 54.521 54.840 -0.072 0.000 0.962 430 L CB -0.157 41.853 42.059 -0.083 0.000 1.258 430 L HN 0.184 nan 8.230 nan 0.000 0.513 431 A N 0.585 123.379 122.820 -0.042 0.000 2.545 431 A HA 0.393 4.713 4.320 -0.000 0.000 0.253 431 A C 1.543 179.120 177.584 -0.012 0.000 1.074 431 A CA 0.827 52.848 52.037 -0.026 0.000 0.760 431 A CB -0.282 18.703 19.000 -0.024 0.000 1.005 431 A HN 0.641 nan 8.150 nan 0.000 0.506 432 G N 2.301 111.096 108.800 -0.009 0.000 2.220 432 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.269 432 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.269 432 G C 0.716 175.618 174.900 0.004 0.000 0.977 432 G CA 1.049 46.148 45.100 -0.001 0.000 0.634 432 G HN 0.806 nan 8.290 nan 0.000 0.539 433 K N 0.373 120.772 120.400 -0.000 0.000 2.498 433 K HA 0.185 4.505 4.320 -0.000 0.000 0.207 433 K C 1.066 177.670 176.600 0.007 0.000 1.033 433 K CA -0.204 56.088 56.287 0.008 0.000 1.138 433 K CB 0.431 32.937 32.500 0.009 0.000 0.860 433 K HN 0.632 nan 8.250 nan 0.000 0.490 434 R N 0.006 120.508 120.500 0.003 0.000 2.828 434 R HA 0.686 5.026 4.340 -0.000 0.000 0.264 434 R C 0.256 176.567 176.300 0.019 0.000 1.022 434 R CA -0.549 55.557 56.100 0.011 0.000 1.021 434 R CB 0.884 31.181 30.300 -0.004 0.000 1.163 434 R HN 0.054 nan 8.270 nan 0.000 0.494 435 G N 0.000 108.819 108.800 0.032 0.000 5.446 435 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 435 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 435 G CA 0.000 45.112 45.100 0.019 0.000 0.502 435 G HN 0.000 nan 8.290 nan 0.000 0.925