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 1vnf_1_A DATA FIRST_RESID 4 DATA SEQUENCE VTPIPLPKID EPEEYNTNYI LFWNHVGLEL NRVTHTVGGP LTGPPLSARA DATA SEQUENCE LGMLHLAIHD AYFSICPPTD FTTFLSPDTE NAAYRLPSPN GANDARQAVA DATA SEQUENCE GAALKMLSSL YMKPVEQPNP NPGANISDNA YAQLGLVLDR SVLEAPGGVD DATA SEQUENCE RESASFMFGE DVADVFFALL NDPRGASQEG YHPTPGRYKF DDEPTHPVVL DATA SEQUENCE IPVDPNNPNG PKMPFRQYHA PFYGKTTKRF ATQSEHFLAD PPGLRSNADE DATA SEQUENCE TAEYDDAVRV AIAMGGAQAL NSTKRSPWQT AQGLYWAYDG SNLIGTPPRF DATA SEQUENCE YNQIVRRIAV TYKKEEDLAN SEVNNADFAR LFALVDVACT DAGIFSWKEK DATA SEQUENCE WEFEFWAPLS GVRDDGRPDH GDPFWLTLGA PATNTNDIPF KPPFPAYPSG DATA SEQUENCE HATFGGAVFQ MVRRYYNGRV GTWKDDEPDN IAIDMMISEE LNGVNRDLRQ DATA SEQUENCE PYDPTAPIED QPGIVRTRIV RHFDSAWELM FENAISRIFL GVHWRFDAAA DATA SEQUENCE ARDILIPTTT KDVYAVDNNG ATVFQNVEDI RYTTRGTRED EEGLFPIGGV DATA SEQUENCE PLGIEIADEI FNNGLKPTPP EIQP 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.097 176.094 0.005 0.000 1.182 4 V CA 0.000 62.305 62.300 0.009 0.000 1.235 4 V CB 0.000 31.832 31.823 0.015 0.000 1.184 5 T N 6.196 120.750 114.554 -0.000 0.000 2.752 5 T HA 0.397 4.747 4.350 -0.000 0.000 0.295 5 T C -2.678 172.022 174.700 -0.000 0.000 0.923 5 T CA -0.439 61.659 62.100 -0.004 0.000 1.112 5 T CB 0.820 69.680 68.868 -0.013 0.000 0.884 5 T HN 0.551 nan 8.240 nan 0.000 0.525 6 P HA 0.220 nan 4.420 nan 0.000 0.271 6 P C -0.022 177.283 177.300 0.009 0.000 1.216 6 P CA -0.434 62.671 63.100 0.007 0.000 0.771 6 P CB 0.385 32.090 31.700 0.008 0.000 0.864 7 I N 5.466 126.046 120.570 0.017 0.000 2.533 7 I HA 0.079 4.249 4.170 -0.000 0.000 0.284 7 I C -1.838 174.300 176.117 0.034 0.000 1.109 7 I CA -1.650 59.672 61.300 0.036 0.000 1.412 7 I CB 0.320 38.358 38.000 0.063 0.000 1.396 7 I HN 0.170 nan 8.210 nan 0.000 0.543 8 P HA 0.272 nan 4.420 nan 0.000 0.279 8 P C -0.832 176.492 177.300 0.040 0.000 1.318 8 P CA -0.156 62.962 63.100 0.030 0.000 0.819 8 P CB 0.351 32.066 31.700 0.024 0.000 0.927 9 L N 6.192 127.428 121.223 0.021 0.000 2.326 9 L HA 0.419 4.759 4.340 -0.000 0.000 0.278 9 L C -1.453 175.418 176.870 0.002 0.000 1.092 9 L CA -2.014 52.830 54.840 0.007 0.000 0.810 9 L CB 0.405 42.460 42.059 -0.007 0.000 1.153 9 L HN 0.234 nan 8.230 nan 0.000 0.439 10 P HA 0.073 nan 4.420 nan 0.000 0.272 10 P C -0.849 176.443 177.300 -0.014 0.000 1.223 10 P CA -0.617 62.473 63.100 -0.016 0.000 0.784 10 P CB 0.808 32.488 31.700 -0.034 0.000 0.923 11 K N 1.745 122.137 120.400 -0.013 0.000 2.382 11 K HA 0.178 4.498 4.320 -0.000 0.000 0.275 11 K C -0.135 176.456 176.600 -0.015 0.000 1.009 11 K CA 0.145 56.425 56.287 -0.011 0.000 0.970 11 K CB -0.409 32.082 32.500 -0.016 0.000 0.934 11 K HN 0.335 nan 8.250 nan 0.000 0.479 12 I N 3.301 123.865 120.570 -0.009 0.000 2.428 12 I HA 0.067 4.237 4.170 -0.000 0.000 0.289 12 I C 0.073 176.170 176.117 -0.033 0.000 1.019 12 I CA -0.318 60.977 61.300 -0.008 0.000 1.351 12 I CB 1.139 39.151 38.000 0.020 0.000 1.412 12 I HN 0.535 nan 8.210 nan 0.000 0.513 13 D N 7.368 127.753 120.400 -0.026 0.000 2.470 13 D HA 0.153 4.793 4.640 -0.000 0.000 0.226 13 D C -0.178 176.076 176.300 -0.076 0.000 1.196 13 D CA 0.508 54.486 54.000 -0.038 0.000 0.979 13 D CB 0.401 41.196 40.800 -0.008 0.000 1.059 13 D HN 0.532 nan 8.370 nan 0.000 0.515 14 E N 2.135 122.244 120.200 -0.153 0.000 2.378 14 E HA 0.285 4.634 4.350 -0.000 0.000 0.283 14 E C -2.874 173.480 176.600 -0.410 0.000 0.979 14 E CA -1.828 54.376 56.400 -0.327 0.000 0.795 14 E CB 1.709 31.200 29.700 -0.347 0.000 1.221 14 E HN -0.103 nan 8.360 nan 0.000 0.428 15 P HA -0.015 nan 4.420 nan 0.000 0.262 15 P C 0.112 177.227 177.300 -0.308 0.000 1.199 15 P CA 0.368 63.257 63.100 -0.352 0.000 0.763 15 P CB 0.458 32.012 31.700 -0.244 0.000 0.790 16 E N 3.288 123.404 120.200 -0.140 0.000 2.333 16 E HA -0.254 4.096 4.350 -0.000 0.000 0.198 16 E C 0.996 177.597 176.600 0.003 0.000 1.007 16 E CA 0.987 57.337 56.400 -0.083 0.000 0.845 16 E CB -0.291 29.374 29.700 -0.059 0.000 0.766 16 E HN 0.639 nan 8.360 nan 0.000 0.507 17 E N 0.389 120.628 120.200 0.066 0.000 2.153 17 E HA -0.250 4.099 4.350 -0.000 0.000 0.194 17 E C 1.303 178.040 176.600 0.228 0.000 0.988 17 E CA 0.906 57.389 56.400 0.138 0.000 0.811 17 E CB -0.581 29.214 29.700 0.159 0.000 0.746 17 E HN 0.272 nan 8.360 nan 0.000 0.466 18 Y N 2.001 122.294 120.300 -0.013 0.000 2.102 18 Y HA -0.196 4.354 4.550 -0.000 0.000 0.280 18 Y C 1.814 177.704 175.900 -0.018 0.000 1.178 18 Y CA 1.257 59.343 58.100 -0.023 0.000 1.146 18 Y CB -0.842 37.586 38.460 -0.054 0.000 0.968 18 Y HN 0.124 nan 8.280 nan 0.000 0.504 19 N N -0.281 118.504 118.700 0.142 0.000 2.567 19 N HA -0.062 4.678 4.740 -0.000 0.000 0.195 19 N C 1.453 177.007 175.510 0.073 0.000 1.242 19 N CA 1.060 54.170 53.050 0.099 0.000 0.884 19 N CB -0.518 37.993 38.487 0.040 0.000 1.007 19 N HN 0.543 nan 8.380 nan 0.000 0.450 20 T N -3.577 111.021 114.554 0.074 0.000 3.081 20 T HA 0.005 4.355 4.350 -0.000 0.000 0.255 20 T C 0.703 175.456 174.700 0.088 0.000 1.113 20 T CA -0.122 62.009 62.100 0.052 0.000 1.082 20 T CB 0.206 69.109 68.868 0.059 0.000 0.939 20 T HN 0.014 nan 8.240 nan 0.000 0.506 21 N N 0.956 119.720 118.700 0.107 0.000 2.414 21 N HA 0.076 4.815 4.740 -0.000 0.000 0.256 21 N C 0.748 176.329 175.510 0.118 0.000 1.029 21 N CA -0.509 52.602 53.050 0.100 0.000 0.948 21 N CB 1.029 39.601 38.487 0.141 0.000 1.102 21 N HN 0.477 nan 8.380 nan 0.000 0.496 22 Y N 3.785 124.174 120.300 0.149 0.000 2.483 22 Y HA -0.033 4.517 4.550 -0.000 0.000 0.291 22 Y C 1.517 177.608 175.900 0.319 0.000 1.143 22 Y CA 0.409 58.635 58.100 0.210 0.000 1.289 22 Y CB -0.081 38.533 38.460 0.257 0.000 0.983 22 Y HN 0.376 nan 8.280 nan 0.000 0.556 23 I N 0.859 121.402 120.570 -0.044 0.000 2.233 23 I HA -0.196 3.973 4.170 -0.000 0.000 0.243 23 I C 2.416 178.554 176.117 0.036 0.000 1.093 23 I CA 1.030 62.360 61.300 0.050 0.000 1.380 23 I CB -1.149 36.817 38.000 -0.056 0.000 1.067 23 I HN 0.381 nan 8.210 nan 0.000 0.413 24 L N -0.242 120.956 121.223 -0.043 0.000 2.046 24 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 24 L C 2.664 179.519 176.870 -0.025 0.000 1.077 24 L CA 1.331 56.084 54.840 -0.146 0.000 0.747 24 L CB -0.773 41.204 42.059 -0.136 0.000 0.896 24 L HN 0.123 nan 8.230 nan 0.000 0.432 25 F N 0.075 119.969 119.950 -0.094 0.000 2.095 25 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 25 F C 2.037 177.712 175.800 -0.208 0.000 1.104 25 F CA 1.570 59.458 58.000 -0.188 0.000 1.232 25 F CB -0.499 38.294 39.000 -0.345 0.000 0.987 25 F HN -0.017 nan 8.300 nan 0.000 0.475 26 W N 0.202 121.499 121.300 -0.005 0.000 2.402 26 W HA -0.127 4.533 4.660 -0.000 0.000 0.286 26 W C 2.433 178.828 176.519 -0.205 0.000 1.221 26 W CA 1.003 58.265 57.345 -0.138 0.000 1.257 26 W CB -0.737 28.726 29.460 0.005 0.000 1.120 26 W HN 0.114 nan 8.180 nan 0.000 0.551 27 N N -0.014 118.698 118.700 0.019 0.000 2.084 27 N HA -0.287 4.452 4.740 -0.000 0.000 0.190 27 N C 1.696 177.185 175.510 -0.035 0.000 1.030 27 N CA 2.114 55.176 53.050 0.020 0.000 0.849 27 N CB -0.605 37.775 38.487 -0.178 0.000 1.012 27 N HN 0.224 nan 8.380 nan 0.000 0.423 28 H N -0.497 118.453 119.070 -0.199 0.000 2.352 28 H HA -0.042 4.514 4.556 -0.000 0.000 0.299 28 H C 1.733 176.900 175.328 -0.268 0.000 1.097 28 H CA 2.091 58.006 56.048 -0.223 0.000 1.311 28 H CB -0.401 29.196 29.762 -0.274 0.000 1.377 28 H HN 0.101 nan 8.280 nan 0.000 0.504 29 V N 0.314 119.912 119.914 -0.527 0.000 2.407 29 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 29 V C 2.727 178.657 176.094 -0.274 0.000 1.055 29 V CA 1.705 63.717 62.300 -0.481 0.000 1.049 29 V CB -1.131 30.487 31.823 -0.343 0.000 0.662 29 V HN 0.751 nan 8.190 nan 0.000 0.455 30 G N -0.081 108.632 108.800 -0.146 0.000 2.402 30 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 30 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 30 G C 1.539 176.380 174.900 -0.098 0.000 1.162 30 G CA 0.744 45.806 45.100 -0.064 0.000 0.777 30 G HN 0.458 nan 8.290 nan 0.000 0.539 31 L N 0.230 121.378 121.223 -0.125 0.000 2.083 31 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 31 L C 2.905 179.674 176.870 -0.169 0.000 1.083 31 L CA 0.987 55.762 54.840 -0.109 0.000 0.752 31 L CB -0.436 41.580 42.059 -0.073 0.000 0.899 31 L HN 0.174 nan 8.230 nan 0.000 0.433 32 E N 0.503 120.521 120.200 -0.304 0.000 2.077 32 E HA -0.166 4.183 4.350 -0.000 0.000 0.193 32 E C 2.380 178.840 176.600 -0.232 0.000 0.989 32 E CA 1.089 57.317 56.400 -0.286 0.000 0.800 32 E CB -0.222 29.240 29.700 -0.397 0.000 0.746 32 E HN 0.498 nan 8.360 nan 0.000 0.452 33 L N 1.576 122.622 121.223 -0.296 0.000 2.083 33 L HA -0.171 4.168 4.340 -0.000 0.000 0.209 33 L C 2.499 179.198 176.870 -0.285 0.000 1.083 33 L CA 0.865 55.439 54.840 -0.443 0.000 0.752 33 L CB -0.570 40.998 42.059 -0.819 0.000 0.899 33 L HN 0.159 nan 8.230 nan 0.000 0.433 34 N N 1.655 120.286 118.700 -0.114 0.000 2.025 34 N HA -0.254 4.486 4.740 -0.000 0.000 0.194 34 N C 2.047 177.639 175.510 0.136 0.000 1.044 34 N CA 2.223 55.320 53.050 0.078 0.000 0.851 34 N CB -0.045 38.469 38.487 0.044 0.000 1.036 34 N HN 0.412 nan 8.380 nan 0.000 0.422 35 R N 0.167 120.672 120.500 0.007 0.000 2.115 35 R HA 0.012 4.352 4.340 -0.000 0.000 0.230 35 R C 2.219 178.518 176.300 -0.002 0.000 1.111 35 R CA 1.263 57.359 56.100 -0.006 0.000 0.976 35 R CB -0.616 29.646 30.300 -0.063 0.000 0.870 35 R HN 0.013 nan 8.270 nan 0.000 0.445 36 V N 1.065 120.951 119.914 -0.047 0.000 2.358 36 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 36 V C 2.472 178.540 176.094 -0.044 0.000 1.047 36 V CA 2.274 64.540 62.300 -0.058 0.000 1.035 36 V CB -0.540 31.224 31.823 -0.098 0.000 0.658 36 V HN 0.541 nan 8.190 nan 0.000 0.452 37 T N -1.006 113.522 114.554 -0.045 0.000 2.833 37 T HA -0.225 4.124 4.350 -0.000 0.000 0.269 37 T C 1.672 176.295 174.700 -0.130 0.000 1.054 37 T CA 1.795 63.858 62.100 -0.063 0.000 1.135 37 T CB -0.291 68.594 68.868 0.028 0.000 0.869 37 T HN 0.686 nan 8.240 nan 0.000 0.466 38 H N -0.268 118.778 119.070 -0.040 0.000 2.529 38 H HA 0.160 4.715 4.556 -0.000 0.000 0.277 38 H C 2.383 177.665 175.328 -0.076 0.000 0.999 38 H CA 1.372 57.389 56.048 -0.051 0.000 1.256 38 H CB 0.138 29.869 29.762 -0.052 0.000 1.402 38 H HN 0.286 nan 8.280 nan 0.000 0.566 39 T N -0.553 114.005 114.554 0.007 0.000 2.939 39 T HA -0.055 4.295 4.350 -0.000 0.000 0.254 39 T C 2.009 176.704 174.700 -0.009 0.000 1.041 39 T CA 1.201 63.278 62.100 -0.039 0.000 1.142 39 T CB -0.103 68.733 68.868 -0.054 0.000 0.874 39 T HN 0.352 nan 8.240 nan 0.000 0.452 40 V N -0.926 118.973 119.914 -0.025 0.000 3.647 40 V HA 0.571 4.691 4.120 -0.000 0.000 0.279 40 V C 1.287 177.337 176.094 -0.074 0.000 1.314 40 V CA 0.193 62.472 62.300 -0.035 0.000 1.125 40 V CB -0.913 30.884 31.823 -0.045 0.000 0.907 40 V HN 0.520 nan 8.190 nan 0.000 0.434 41 G N 0.151 108.895 108.800 -0.094 0.000 2.298 41 G HA2 -0.064 3.895 3.960 -0.000 0.000 0.287 41 G HA3 -0.064 3.895 3.960 -0.000 0.000 0.287 41 G C 0.433 175.236 174.900 -0.163 0.000 1.075 41 G CA 0.285 45.313 45.100 -0.121 0.000 0.960 41 G HN 1.261 nan 8.290 nan 0.000 0.502 42 G N 0.004 108.696 108.800 -0.181 0.000 2.543 42 G HA2 0.829 4.789 3.960 -0.000 0.000 0.267 42 G HA3 0.829 4.789 3.960 -0.000 0.000 0.267 42 G C -1.650 173.150 174.900 -0.166 0.000 1.406 42 G CA -0.512 44.453 45.100 -0.225 0.000 1.048 42 G HN 0.373 nan 8.290 nan 0.000 0.548 43 P HA 0.238 nan 4.420 nan 0.000 0.276 43 P C 0.137 177.374 177.300 -0.104 0.000 1.261 43 P CA -0.136 62.911 63.100 -0.087 0.000 0.800 43 P CB 1.004 32.674 31.700 -0.049 0.000 1.066 44 L N -2.699 118.448 121.223 -0.127 0.000 3.717 44 L HA -0.189 4.151 4.340 -0.000 0.000 0.411 44 L C 0.741 177.565 176.870 -0.076 0.000 1.233 44 L CA 0.535 55.304 54.840 -0.120 0.000 0.917 44 L CB -2.821 39.107 42.059 -0.218 0.000 1.902 44 L HN 0.553 nan 8.230 nan 0.000 0.894 45 T N -2.179 112.295 114.554 -0.133 0.000 2.847 45 T HA 0.716 5.065 4.350 -0.000 0.000 0.279 45 T C 0.787 175.525 174.700 0.065 0.000 0.984 45 T CA 0.005 61.957 62.100 -0.248 0.000 0.988 45 T CB 2.013 70.672 68.868 -0.348 0.000 1.040 45 T HN 1.338 nan 8.240 nan 0.000 0.528 46 G N 1.652 110.597 108.800 0.242 0.000 2.712 46 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.686 46 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.686 46 G C -1.961 172.963 174.900 0.042 0.000 1.321 46 G CA -0.398 44.719 45.100 0.028 0.000 0.813 46 G HN 0.613 nan 8.290 nan 0.000 0.599 47 P HA -0.038 nan 4.420 nan 0.000 0.214 47 P C -0.679 176.509 177.300 -0.186 0.000 1.162 47 P CA 2.750 65.807 63.100 -0.072 0.000 0.879 47 P CB -0.578 31.214 31.700 0.153 0.000 0.786 48 P HA -0.099 nan 4.420 nan 0.000 0.215 48 P C 2.088 179.127 177.300 -0.435 0.000 1.157 48 P CA 1.340 64.081 63.100 -0.598 0.000 0.863 48 P CB -0.383 30.555 31.700 -1.270 0.000 0.787 49 L N 0.275 121.220 121.223 -0.463 0.000 2.109 49 L HA -0.089 4.250 4.340 -0.000 0.000 0.207 49 L C 2.921 179.707 176.870 -0.141 0.000 1.086 49 L CA 1.830 56.482 54.840 -0.313 0.000 0.760 49 L CB -1.032 40.854 42.059 -0.289 0.000 0.910 49 L HN 0.103 nan 8.230 nan 0.000 0.437 50 S N 0.147 115.796 115.700 -0.084 0.000 2.399 50 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 50 S C 2.116 176.680 174.600 -0.061 0.000 1.022 50 S CA 0.816 59.013 58.200 -0.005 0.000 0.983 50 S CB -0.330 62.922 63.200 0.087 0.000 0.803 50 S HN 0.346 nan 8.310 nan 0.000 0.480 51 A N 2.175 124.910 122.820 -0.141 0.000 1.929 51 A HA 0.063 4.383 4.320 -0.000 0.000 0.216 51 A C 2.311 179.822 177.584 -0.123 0.000 1.176 51 A CA 1.203 53.138 52.037 -0.169 0.000 0.628 51 A CB -0.684 18.190 19.000 -0.209 0.000 0.816 51 A HN 0.532 nan 8.150 nan 0.000 0.444 52 R N -0.316 120.110 120.500 -0.122 0.000 2.091 52 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 52 R C 2.321 178.627 176.300 0.010 0.000 1.136 52 R CA 1.411 57.440 56.100 -0.119 0.000 0.959 52 R CB -0.394 29.882 30.300 -0.040 0.000 0.856 52 R HN 0.454 nan 8.270 nan 0.000 0.437 53 A N 1.000 123.832 122.820 0.020 0.000 1.908 53 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 53 A C 2.177 179.822 177.584 0.101 0.000 1.181 53 A CA 1.363 53.441 52.037 0.069 0.000 0.627 53 A CB -0.572 18.471 19.000 0.071 0.000 0.818 53 A HN 0.344 nan 8.150 nan 0.000 0.445 54 L N -0.910 120.363 121.223 0.083 0.000 2.093 54 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 54 L C 2.806 179.772 176.870 0.159 0.000 1.085 54 L CA 0.918 55.837 54.840 0.131 0.000 0.755 54 L CB -0.718 41.404 42.059 0.106 0.000 0.904 54 L HN 0.499 nan 8.230 nan 0.000 0.435 55 G N -0.255 108.599 108.800 0.089 0.000 2.402 55 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.216 55 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.216 55 G C 1.634 176.668 174.900 0.223 0.000 1.162 55 G CA 0.538 45.714 45.100 0.127 0.000 0.777 55 G HN 0.185 nan 8.290 nan 0.000 0.539 56 M N -0.336 119.417 119.600 0.255 0.000 2.132 56 M HA 0.061 4.541 4.480 -0.000 0.000 0.263 56 M C 2.420 178.697 176.300 -0.039 0.000 1.065 56 M CA 0.885 56.265 55.300 0.133 0.000 1.122 56 M CB -0.343 32.372 32.600 0.191 0.000 1.365 56 M HN 0.267 nan 8.290 nan 0.000 0.411 57 L N -0.052 121.167 121.223 -0.007 0.000 1.989 57 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 57 L C 2.440 179.171 176.870 -0.233 0.000 1.071 57 L CA 2.021 56.788 54.840 -0.122 0.000 0.749 57 L CB -0.885 41.104 42.059 -0.116 0.000 0.890 57 L HN 0.310 nan 8.230 nan 0.000 0.431 58 H N -1.300 117.747 119.070 -0.037 0.000 2.524 58 H HA -0.021 4.534 4.556 -0.001 0.000 0.282 58 H C 2.069 177.337 175.328 -0.099 0.000 1.016 58 H CA 1.152 57.189 56.048 -0.017 0.000 1.270 58 H CB 0.330 30.131 29.762 0.064 0.000 1.394 58 H HN 0.272 nan 8.280 nan 0.000 0.568 59 L N 0.627 121.718 121.223 -0.220 0.000 2.095 59 L HA 0.018 4.358 4.340 -0.000 0.000 0.204 59 L C 2.621 179.019 176.870 -0.786 0.000 1.080 59 L CA 1.476 55.969 54.840 -0.578 0.000 0.759 59 L CB -0.975 40.542 42.059 -0.904 0.000 0.914 59 L HN 0.117 nan 8.230 nan 0.000 0.439 60 A N -0.434 121.924 122.820 -0.771 0.000 1.877 60 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 60 A C 2.302 179.778 177.584 -0.180 0.000 1.186 60 A CA 1.948 53.687 52.037 -0.496 0.000 0.620 60 A CB -0.720 18.118 19.000 -0.269 0.000 0.822 60 A HN 0.407 nan 8.150 nan 0.000 0.443 61 I N -1.363 119.128 120.570 -0.133 0.000 2.179 61 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 61 I C 2.619 178.818 176.117 0.135 0.000 1.088 61 I CA 1.669 62.958 61.300 -0.019 0.000 1.357 61 I CB -0.630 37.349 38.000 -0.034 0.000 1.051 61 I HN 0.554 nan 8.210 nan 0.000 0.409 62 H N 1.431 120.564 119.070 0.105 0.000 2.289 62 H HA -0.243 4.312 4.556 -0.000 0.000 0.294 62 H C 1.596 177.189 175.328 0.442 0.000 1.095 62 H CA 2.467 58.706 56.048 0.317 0.000 1.256 62 H CB -0.069 29.867 29.762 0.291 0.000 1.359 62 H HN 0.298 nan 8.280 nan 0.000 0.487 63 D N 0.112 120.799 120.400 0.478 0.000 2.224 63 D HA -0.008 4.632 4.640 -0.000 0.000 0.205 63 D C 2.251 178.752 176.300 0.334 0.000 0.965 63 D CA 1.026 55.320 54.000 0.490 0.000 0.852 63 D CB -0.377 40.792 40.800 0.616 0.000 0.947 63 D HN 0.483 nan 8.370 nan 0.000 0.494 64 A N -0.010 122.929 122.820 0.198 0.000 1.873 64 A HA -0.208 4.112 4.320 -0.000 0.000 0.215 64 A C 2.182 179.916 177.584 0.250 0.000 1.186 64 A CA 1.191 53.310 52.037 0.138 0.000 0.616 64 A CB -1.044 17.951 19.000 -0.009 0.000 0.823 64 A HN 0.333 nan 8.150 nan 0.000 0.442 65 Y N -0.634 119.685 120.300 0.031 0.000 2.133 65 Y HA -0.179 4.371 4.550 -0.001 0.000 0.287 65 Y C 1.829 177.636 175.900 -0.155 0.000 1.134 65 Y CA 2.003 60.037 58.100 -0.110 0.000 1.133 65 Y CB -0.425 37.836 38.460 -0.332 0.000 0.987 65 Y HN 0.256 nan 8.280 nan 0.000 0.502 66 F N -0.461 119.601 119.950 0.187 0.000 2.641 66 F HA -0.095 4.431 4.527 -0.000 0.000 0.298 66 F C 2.481 178.313 175.800 0.053 0.000 1.146 66 F CA 1.113 59.155 58.000 0.070 0.000 1.464 66 F CB -0.693 38.360 39.000 0.089 0.000 1.101 66 F HN 0.001 nan 8.300 nan 0.000 0.585 67 S N 0.033 115.885 115.700 0.253 0.000 2.362 67 S HA -0.009 4.461 4.470 -0.000 0.000 0.221 67 S C 2.159 176.793 174.600 0.056 0.000 1.032 67 S CA 0.772 59.108 58.200 0.227 0.000 0.973 67 S CB -0.151 63.321 63.200 0.452 0.000 0.849 67 S HN 0.278 nan 8.310 nan 0.000 0.465 68 I N 0.241 120.810 120.570 -0.001 0.000 2.500 68 I HA -0.029 4.141 4.170 -0.000 0.000 0.252 68 I C 0.115 176.131 176.117 -0.168 0.000 1.142 68 I CA 0.590 61.822 61.300 -0.114 0.000 1.451 68 I CB 0.117 38.057 38.000 -0.099 0.000 1.093 68 I HN 0.232 nan 8.210 nan 0.000 0.430 69 C N 2.121 121.256 119.300 -0.274 0.000 2.787 69 C HA 0.369 4.828 4.460 -0.000 0.000 0.265 69 C C -2.237 172.730 174.990 -0.040 0.000 1.190 69 C CA -1.511 57.351 59.018 -0.261 0.000 1.616 69 C CB -0.572 26.819 27.740 -0.582 0.000 1.732 69 C HN 0.079 nan 8.230 nan 0.000 0.433 70 P HA 0.057 nan 4.420 nan 0.000 0.261 70 P C -2.023 175.290 177.300 0.022 0.000 1.173 70 P CA 0.090 63.219 63.100 0.048 0.000 0.760 70 P CB 0.165 31.863 31.700 -0.003 0.000 0.783 71 P HA 0.148 nan 4.420 nan 0.000 0.281 71 P C 0.303 177.364 177.300 -0.398 0.000 1.264 71 P CA -0.292 62.548 63.100 -0.433 0.000 0.824 71 P CB 1.225 32.099 31.700 -1.377 0.000 1.092 72 T N -3.113 111.223 114.554 -0.363 0.000 3.044 72 T HA 0.039 4.389 4.350 -0.000 0.000 0.237 72 T C 0.986 175.563 174.700 -0.206 0.000 1.001 72 T CA 0.581 62.553 62.100 -0.213 0.000 1.160 72 T CB -0.720 68.085 68.868 -0.106 0.000 0.889 72 T HN 0.167 nan 8.240 nan 0.000 0.442 73 D N 1.424 121.707 120.400 -0.195 0.000 2.349 73 D HA 0.292 4.932 4.640 -0.000 0.000 0.224 73 D C 0.086 176.422 176.300 0.061 0.000 1.029 73 D CA 0.176 54.153 54.000 -0.038 0.000 0.879 73 D CB -0.056 40.779 40.800 0.058 0.000 0.906 73 D HN 0.628 nan 8.370 nan 0.000 0.528 74 F N -3.115 116.795 119.950 -0.066 0.000 3.052 74 F HA 0.577 5.103 4.527 -0.000 0.000 0.323 74 F C -0.449 175.320 175.800 -0.052 0.000 1.178 74 F CA -1.110 56.852 58.000 -0.063 0.000 0.892 74 F CB 1.241 40.196 39.000 -0.075 0.000 1.416 74 F HN -0.349 nan 8.300 nan 0.000 0.488 75 T N -0.623 114.093 114.554 0.272 0.000 2.716 75 T HA 0.584 4.934 4.350 -0.000 0.000 0.286 75 T C -0.804 174.140 174.700 0.406 0.000 1.052 75 T CA 0.025 62.225 62.100 0.167 0.000 1.024 75 T CB 1.271 70.202 68.868 0.105 0.000 1.349 75 T HN 1.101 nan 8.240 nan 0.000 0.525 76 T N 0.479 115.246 114.554 0.354 0.000 2.860 76 T HA 0.275 4.625 4.350 -0.000 0.000 0.299 76 T C 1.016 176.010 174.700 0.490 0.000 1.045 76 T CA -0.415 61.996 62.100 0.517 0.000 1.071 76 T CB 0.247 69.376 68.868 0.434 0.000 0.985 76 T HN 0.466 nan 8.240 nan 0.000 0.537 77 F N 1.390 121.588 119.950 0.414 0.000 2.075 77 F HA 0.199 4.726 4.527 -0.001 0.000 0.297 77 F C 0.803 176.752 175.800 0.250 0.000 1.113 77 F CA 1.138 59.314 58.000 0.294 0.000 1.218 77 F CB -0.137 39.070 39.000 0.346 0.000 0.984 77 F HN 0.425 nan 8.300 nan 0.000 0.472 78 L N -0.046 121.401 121.223 0.373 0.000 2.334 78 L HA 0.383 4.723 4.340 -0.000 0.000 0.270 78 L C 0.071 177.032 176.870 0.152 0.000 1.018 78 L CA -0.848 54.074 54.840 0.137 0.000 0.811 78 L CB 1.623 43.694 42.059 0.020 0.000 1.271 78 L HN 0.009 nan 8.230 nan 0.000 0.443 79 S N -0.294 115.460 115.700 0.089 0.000 2.607 79 S HA 0.547 5.017 4.470 -0.000 0.000 0.303 79 S C -2.446 172.200 174.600 0.077 0.000 1.086 79 S CA -1.413 56.842 58.200 0.091 0.000 0.995 79 S CB 2.095 65.329 63.200 0.057 0.000 1.084 79 S HN 0.344 nan 8.310 nan 0.000 0.507 80 P HA 0.188 nan 4.420 nan 0.000 0.241 80 P C -0.094 177.234 177.300 0.046 0.000 1.191 80 P CA 0.519 63.662 63.100 0.072 0.000 0.771 80 P CB 0.029 31.777 31.700 0.081 0.000 0.929 81 D N -1.517 118.905 120.400 0.036 0.000 2.402 81 D HA 0.057 4.697 4.640 -0.000 0.000 0.216 81 D C 0.012 176.319 176.300 0.012 0.000 1.128 81 D CA 0.375 54.388 54.000 0.021 0.000 0.833 81 D CB 0.122 40.931 40.800 0.015 0.000 0.971 81 D HN 0.098 nan 8.370 nan 0.000 0.503 82 T N 0.971 115.535 114.554 0.018 0.000 2.834 82 T HA 0.218 4.568 4.350 -0.000 0.000 0.298 82 T C 1.569 176.274 174.700 0.009 0.000 0.966 82 T CA 0.100 62.205 62.100 0.008 0.000 1.141 82 T CB 1.599 70.485 68.868 0.029 0.000 0.905 82 T HN 0.282 nan 8.240 nan 0.000 0.535 83 E N 2.764 122.961 120.200 -0.006 0.000 2.150 83 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 83 E C 1.081 177.684 176.600 0.006 0.000 0.985 83 E CA 0.521 56.919 56.400 -0.003 0.000 0.814 83 E CB -0.213 29.479 29.700 -0.014 0.000 0.752 83 E HN 0.596 nan 8.360 nan 0.000 0.466 84 N N 0.610 119.315 118.700 0.008 0.000 2.406 84 N HA 0.284 5.024 4.740 -0.000 0.000 0.265 84 N C 1.087 176.646 175.510 0.081 0.000 1.203 84 N CA 0.502 53.578 53.050 0.042 0.000 0.945 84 N CB 1.077 39.582 38.487 0.029 0.000 1.165 84 N HN 0.256 nan 8.380 nan 0.000 0.485 85 A N 4.262 127.113 122.820 0.052 0.000 1.986 85 A HA -0.167 4.152 4.320 -0.000 0.000 0.220 85 A C 2.029 179.625 177.584 0.020 0.000 1.171 85 A CA 1.953 54.009 52.037 0.032 0.000 0.640 85 A CB -0.624 18.385 19.000 0.016 0.000 0.811 85 A HN 0.751 nan 8.150 nan 0.000 0.451 86 A N -2.333 120.517 122.820 0.050 0.000 2.067 86 A HA 0.076 4.396 4.320 -0.000 0.000 0.219 86 A C 1.432 178.885 177.584 -0.219 0.000 1.158 86 A CA 1.173 53.172 52.037 -0.062 0.000 0.661 86 A CB -0.443 18.540 19.000 -0.029 0.000 0.801 86 A HN 0.595 nan 8.150 nan 0.000 0.452 87 Y N -1.265 118.972 120.300 -0.105 0.000 2.660 87 Y HA 0.318 4.867 4.550 -0.001 0.000 0.254 87 Y C 0.722 176.553 175.900 -0.114 0.000 1.176 87 Y CA -0.569 57.451 58.100 -0.134 0.000 1.195 87 Y CB 0.248 38.636 38.460 -0.120 0.000 1.190 87 Y HN 0.143 nan 8.280 nan 0.000 0.535 88 R N 1.638 122.153 120.500 0.025 0.000 2.196 88 R HA 0.322 4.662 4.340 -0.000 0.000 0.340 88 R C -0.955 175.338 176.300 -0.012 0.000 1.043 88 R CA -0.723 55.387 56.100 0.017 0.000 0.883 88 R CB 0.339 30.653 30.300 0.023 0.000 1.078 88 R HN 0.156 nan 8.270 nan 0.000 0.462 89 L N 7.389 128.621 121.223 0.016 0.000 2.380 89 L HA 0.357 4.697 4.340 -0.000 0.000 0.273 89 L C -2.213 174.718 176.870 0.102 0.000 1.138 89 L CA -1.637 53.229 54.840 0.044 0.000 0.832 89 L CB 0.844 42.973 42.059 0.117 0.000 1.124 89 L HN 0.563 nan 8.230 nan 0.000 0.454 90 P HA 0.188 nan 4.420 nan 0.000 0.272 90 P C -1.214 176.302 177.300 0.359 0.000 1.240 90 P CA -0.211 63.012 63.100 0.205 0.000 0.791 90 P CB 0.695 32.508 31.700 0.188 0.000 0.978 91 S N 2.102 117.952 115.700 0.250 0.000 2.525 91 S HA 0.324 4.794 4.470 -0.000 0.000 0.290 91 S C -1.628 172.908 174.600 -0.106 0.000 1.152 91 S CA -0.991 57.273 58.200 0.105 0.000 1.072 91 S CB 0.960 64.179 63.200 0.033 0.000 1.027 91 S HN 0.344 nan 8.310 nan 0.000 0.500 92 P HA -0.048 nan 4.420 nan 0.000 0.215 92 P C -0.281 176.805 177.300 -0.357 0.000 1.157 92 P CA 0.752 63.323 63.100 -0.882 0.000 0.868 92 P CB -0.064 31.204 31.700 -0.719 0.000 0.788 93 N N -1.080 117.498 118.700 -0.204 0.000 2.688 93 N HA -0.174 4.566 4.740 -0.000 0.000 0.258 93 N C 1.023 176.476 175.510 -0.095 0.000 1.016 93 N CA 1.485 54.472 53.050 -0.105 0.000 0.747 93 N CB -1.595 36.860 38.487 -0.053 0.000 0.895 93 N HN 0.446 nan 8.380 nan 0.000 0.543 94 G N -1.969 106.764 108.800 -0.112 0.000 2.376 94 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.208 94 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.208 94 G C 0.256 175.100 174.900 -0.095 0.000 1.032 94 G CA 0.290 45.340 45.100 -0.082 0.000 0.641 94 G HN 1.276 nan 8.290 nan 0.000 0.503 95 A N 0.954 123.693 122.820 -0.134 0.000 2.548 95 A HA 0.516 4.836 4.320 -0.000 0.000 0.247 95 A C 0.816 178.318 177.584 -0.137 0.000 1.067 95 A CA 1.562 53.526 52.037 -0.121 0.000 0.757 95 A CB -0.300 18.605 19.000 -0.158 0.000 0.996 95 A HN 1.603 nan 8.150 nan 0.000 0.504 96 N N 0.360 119.018 118.700 -0.071 0.000 2.142 96 N HA 0.084 4.824 4.740 -0.000 0.000 0.233 96 N C -0.869 174.621 175.510 -0.033 0.000 1.335 96 N CA -0.308 52.702 53.050 -0.066 0.000 0.837 96 N CB 0.606 39.059 38.487 -0.057 0.000 1.238 96 N HN 0.417 nan 8.380 nan 0.000 0.501 97 D N 0.953 121.349 120.400 -0.006 0.000 2.479 97 D HA 0.383 5.022 4.640 -0.000 0.000 0.218 97 D C 1.030 177.345 176.300 0.024 0.000 1.131 97 D CA -0.316 53.690 54.000 0.009 0.000 0.916 97 D CB 1.153 41.966 40.800 0.021 0.000 1.022 97 D HN 0.317 nan 8.370 nan 0.000 0.515 98 A N 4.683 127.514 122.820 0.019 0.000 1.940 98 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 98 A C 2.138 179.760 177.584 0.064 0.000 1.176 98 A CA 1.340 53.421 52.037 0.074 0.000 0.631 98 A CB -0.285 18.758 19.000 0.072 0.000 0.814 98 A HN 0.596 nan 8.150 nan 0.000 0.446 99 R N -0.998 119.409 120.500 -0.156 0.000 2.083 99 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 99 R C 2.122 178.292 176.300 -0.217 0.000 1.137 99 R CA 1.735 57.468 56.100 -0.613 0.000 0.951 99 R CB -0.222 29.734 30.300 -0.573 0.000 0.851 99 R HN 0.477 nan 8.270 nan 0.000 0.434 100 Q N -0.202 119.575 119.800 -0.039 0.000 2.230 100 Q HA -0.005 4.334 4.340 -0.000 0.000 0.202 100 Q C 1.957 178.011 176.000 0.089 0.000 0.963 100 Q CA 1.307 57.172 55.803 0.102 0.000 0.866 100 Q CB -0.117 28.710 28.738 0.148 0.000 0.931 100 Q HN 0.431 nan 8.270 nan 0.000 0.452 101 A N 0.460 123.324 122.820 0.073 0.000 1.858 101 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 101 A C 2.420 179.973 177.584 -0.051 0.000 1.190 101 A CA 1.614 53.696 52.037 0.076 0.000 0.617 101 A CB -0.790 18.339 19.000 0.215 0.000 0.827 101 A HN 0.193 nan 8.150 nan 0.000 0.443 102 V N 0.013 119.940 119.914 0.021 0.000 2.332 102 V HA -0.277 3.842 4.120 -0.000 0.000 0.248 102 V C 3.057 178.956 176.094 -0.325 0.000 1.055 102 V CA 2.006 64.293 62.300 -0.023 0.000 1.038 102 V CB -1.293 30.703 31.823 0.288 0.000 0.651 102 V HN 0.634 nan 8.190 nan 0.000 0.450 103 A N 0.486 123.165 122.820 -0.235 0.000 1.883 103 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 103 A C 2.437 179.666 177.584 -0.591 0.000 1.186 103 A CA 2.076 53.890 52.037 -0.373 0.000 0.624 103 A CB -1.269 17.859 19.000 0.212 0.000 0.822 103 A HN 0.530 nan 8.150 nan 0.000 0.444 104 G N -0.687 107.693 108.800 -0.700 0.000 2.418 104 G HA2 0.027 3.987 3.960 -0.000 0.000 0.217 104 G HA3 0.027 3.987 3.960 -0.000 0.000 0.217 104 G C 1.758 176.218 174.900 -0.734 0.000 1.158 104 G CA 1.510 45.846 45.100 -1.274 0.000 0.771 104 G HN 0.795 nan 8.290 nan 0.000 0.545 105 A N 1.301 123.805 122.820 -0.526 0.000 1.858 105 A HA 0.238 4.558 4.320 -0.000 0.000 0.216 105 A C 2.854 180.196 177.584 -0.404 0.000 1.190 105 A CA 2.489 54.293 52.037 -0.387 0.000 0.617 105 A CB -0.991 17.838 19.000 -0.284 0.000 0.827 105 A HN 0.810 nan 8.150 nan 0.000 0.443 106 A N -0.381 122.106 122.820 -0.556 0.000 1.858 106 A HA -0.074 4.245 4.320 -0.000 0.000 0.216 106 A C 2.228 179.519 177.584 -0.489 0.000 1.190 106 A CA 1.575 53.257 52.037 -0.591 0.000 0.617 106 A CB -0.720 17.657 19.000 -1.038 0.000 0.827 106 A HN 0.470 nan 8.150 nan 0.000 0.443 107 L N -0.986 119.874 121.223 -0.606 0.000 2.042 107 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 107 L C 2.754 179.519 176.870 -0.176 0.000 1.076 107 L CA 1.552 56.226 54.840 -0.276 0.000 0.749 107 L CB -0.413 41.570 42.059 -0.126 0.000 0.893 107 L HN 0.318 nan 8.230 nan 0.000 0.432 108 K N -0.304 119.943 120.400 -0.255 0.000 2.001 108 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 108 K C 2.073 178.554 176.600 -0.200 0.000 1.048 108 K CA 1.575 57.736 56.287 -0.211 0.000 0.932 108 K CB -0.296 32.056 32.500 -0.247 0.000 0.715 108 K HN 0.087 nan 8.250 nan 0.000 0.437 109 M N 1.198 120.692 119.600 -0.177 0.000 2.065 109 M HA -0.130 4.350 4.480 -0.000 0.000 0.259 109 M C 1.972 178.240 176.300 -0.055 0.000 1.069 109 M CA 1.525 56.762 55.300 -0.106 0.000 1.110 109 M CB -0.577 31.985 32.600 -0.064 0.000 1.328 109 M HN 0.099 nan 8.290 nan 0.000 0.405 110 L N -1.046 120.173 121.223 -0.007 0.000 2.083 110 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 110 L C 2.303 179.261 176.870 0.148 0.000 1.083 110 L CA 1.367 56.288 54.840 0.135 0.000 0.752 110 L CB -0.911 41.223 42.059 0.124 0.000 0.899 110 L HN 0.324 nan 8.230 nan 0.000 0.433 111 S N -0.757 114.958 115.700 0.025 0.000 2.368 111 S HA -0.142 4.328 4.470 -0.000 0.000 0.224 111 S C 2.208 176.762 174.600 -0.077 0.000 1.029 111 S CA 1.411 59.616 58.200 0.009 0.000 0.988 111 S CB -0.089 63.096 63.200 -0.025 0.000 0.838 111 S HN 0.337 nan 8.310 nan 0.000 0.462 112 S N 1.798 117.343 115.700 -0.258 0.000 2.368 112 S HA 0.038 4.507 4.470 -0.000 0.000 0.225 112 S C 1.807 176.214 174.600 -0.322 0.000 1.030 112 S CA 0.909 58.770 58.200 -0.564 0.000 0.999 112 S CB -0.413 61.979 63.200 -1.345 0.000 0.844 112 S HN 0.346 nan 8.310 nan 0.000 0.459 113 L N -0.827 120.328 121.223 -0.114 0.000 2.027 113 L HA -0.075 4.265 4.340 -0.000 0.000 0.206 113 L C 1.799 178.555 176.870 -0.189 0.000 1.074 113 L CA 1.417 56.236 54.840 -0.035 0.000 0.745 113 L CB -0.393 41.606 42.059 -0.100 0.000 0.898 113 L HN 0.349 nan 8.230 nan 0.000 0.433 114 Y N -1.994 118.351 120.300 0.074 0.000 2.449 114 Y HA 0.190 4.740 4.550 -0.000 0.000 0.254 114 Y C 1.100 177.112 175.900 0.187 0.000 1.140 114 Y CA -0.450 57.718 58.100 0.113 0.000 1.272 114 Y CB 0.263 38.766 38.460 0.072 0.000 1.114 114 Y HN 0.031 nan 8.280 nan 0.000 0.525 115 M N 0.426 120.150 119.600 0.207 0.000 2.267 115 M HA 0.186 4.666 4.480 -0.000 0.000 0.303 115 M C 0.223 176.478 176.300 -0.074 0.000 1.164 115 M CA -0.813 54.554 55.300 0.111 0.000 1.060 115 M CB 0.490 33.104 32.600 0.024 0.000 1.455 115 M HN -0.036 nan 8.290 nan 0.000 0.483 116 K N 1.714 121.893 120.400 -0.369 0.000 2.430 116 K HA 0.080 4.399 4.320 -0.000 0.000 0.280 116 K C -2.091 174.336 176.600 -0.287 0.000 1.063 116 K CA -0.921 54.973 56.287 -0.655 0.000 1.071 116 K CB -0.523 31.628 32.500 -0.582 0.000 0.899 116 K HN 0.246 nan 8.250 nan 0.000 0.473 117 P HA 0.005 nan 4.420 nan 0.000 0.249 117 P C 0.454 177.710 177.300 -0.074 0.000 1.737 117 P CA -0.050 63.004 63.100 -0.077 0.000 1.128 117 P CB 0.310 32.002 31.700 -0.014 0.000 1.942 118 V N 1.131 120.999 119.914 -0.077 0.000 2.594 118 V HA -0.194 3.925 4.120 -0.000 0.000 0.253 118 V C 1.979 178.055 176.094 -0.029 0.000 1.069 118 V CA 2.217 64.483 62.300 -0.057 0.000 1.082 118 V CB -1.528 30.262 31.823 -0.054 0.000 0.680 118 V HN 0.450 nan 8.190 nan 0.000 0.469 119 E N -0.278 119.912 120.200 -0.016 0.000 2.676 119 E HA 0.370 4.720 4.350 -0.000 0.000 0.318 119 E C 1.347 177.951 176.600 0.006 0.000 1.514 119 E CA 1.398 57.797 56.400 -0.000 0.000 1.667 119 E CB -1.296 28.412 29.700 0.013 0.000 1.336 119 E HN 0.924 nan 8.360 nan 0.000 0.492 120 Q N -2.410 117.390 119.800 -0.000 0.000 2.181 120 Q HA -0.362 3.977 4.340 -0.000 0.000 0.148 120 Q C 0.878 176.885 176.000 0.011 0.000 1.049 120 Q CA 2.885 58.690 55.803 0.005 0.000 1.352 120 Q CB -3.347 25.395 28.738 0.007 0.000 1.359 120 Q HN 1.323 nan 8.270 nan 0.000 0.917 121 P HA -0.090 nan 4.420 nan 0.000 0.222 121 P C 1.297 178.615 177.300 0.030 0.000 1.142 121 P CA 3.032 66.148 63.100 0.027 0.000 0.788 121 P CB -1.740 29.985 31.700 0.041 0.000 0.767 122 N N -1.239 117.472 118.700 0.017 0.000 2.223 122 N HA 0.106 4.846 4.740 -0.000 0.000 0.185 122 N C 0.073 175.603 175.510 0.034 0.000 1.016 122 N CA 1.324 54.389 53.050 0.025 0.000 0.863 122 N CB -1.922 36.564 38.487 -0.002 0.000 0.983 122 N HN 0.580 nan 8.380 nan 0.000 0.429 123 P HA 0.437 nan 4.420 nan 0.000 0.276 123 P C 0.863 178.181 177.300 0.030 0.000 1.230 123 P CA 1.401 64.516 63.100 0.025 0.000 0.776 123 P CB -0.252 31.459 31.700 0.019 0.000 0.888 124 N N 0.145 118.863 118.700 0.031 0.000 3.078 124 N HA -0.320 4.420 4.740 -0.000 0.000 0.221 124 N C 0.701 176.234 175.510 0.038 0.000 0.163 124 N CA 2.953 56.024 53.050 0.035 0.000 3.866 124 N CB -2.902 35.605 38.487 0.034 0.000 1.005 124 N HN 0.736 nan 8.380 nan 0.000 0.246 125 P HA 0.304 nan 4.420 nan 0.000 0.212 125 P C 1.914 179.243 177.300 0.048 0.000 1.180 125 P CA 3.740 66.865 63.100 0.042 0.000 0.906 125 P CB -0.887 30.837 31.700 0.040 0.000 0.782 126 G N -1.353 107.485 108.800 0.064 0.000 2.920 126 G HA2 0.322 4.282 3.960 -0.000 0.000 0.208 126 G HA3 0.322 4.282 3.960 -0.000 0.000 0.208 126 G C 0.946 175.897 174.900 0.085 0.000 1.159 126 G CA 0.832 45.992 45.100 0.099 0.000 0.784 126 G HN 0.669 nan 8.290 nan 0.000 0.535 127 A N -0.012 122.840 122.820 0.052 0.000 3.051 127 A HA 0.504 4.824 4.320 -0.000 0.000 0.275 127 A C 1.173 178.762 177.584 0.008 0.000 1.900 127 A CA 1.032 53.090 52.037 0.035 0.000 1.496 127 A CB -1.292 17.724 19.000 0.026 0.000 1.013 127 A HN 0.892 nan 8.150 nan 0.000 0.611 128 N N 0.587 119.290 118.700 0.004 0.000 1.912 128 N HA 0.133 4.872 4.740 -0.000 0.000 0.255 128 N C -0.077 175.405 175.510 -0.048 0.000 1.405 128 N CA 0.144 53.169 53.050 -0.043 0.000 0.728 128 N CB -0.587 37.859 38.487 -0.068 0.000 1.236 128 N HN 0.423 nan 8.380 nan 0.000 0.600 129 I N 2.710 123.268 120.570 -0.020 0.000 2.359 129 I HA 0.481 4.651 4.170 -0.000 0.000 0.294 129 I C 0.972 177.078 176.117 -0.018 0.000 0.987 129 I CA -0.866 60.382 61.300 -0.088 0.000 1.225 129 I CB 1.916 39.787 38.000 -0.216 0.000 1.366 129 I HN 0.452 nan 8.210 nan 0.000 0.466 130 S N 3.127 118.793 115.700 -0.056 0.000 2.624 130 S HA 0.169 4.639 4.470 -0.000 0.000 0.263 130 S C 0.601 175.250 174.600 0.082 0.000 1.287 130 S CA -0.596 57.610 58.200 0.012 0.000 0.990 130 S CB 1.188 64.380 63.200 -0.013 0.000 0.950 130 S HN 0.578 nan 8.310 nan 0.000 0.561 131 D N 0.760 121.232 120.400 0.121 0.000 2.144 131 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 131 D C 1.770 178.148 176.300 0.130 0.000 0.978 131 D CA 0.933 55.039 54.000 0.177 0.000 0.833 131 D CB -0.571 40.291 40.800 0.104 0.000 0.961 131 D HN 0.712 nan 8.370 nan 0.000 0.470 132 N N 0.946 119.681 118.700 0.059 0.000 2.104 132 N HA -0.187 4.552 4.740 -0.000 0.000 0.190 132 N C 1.770 177.288 175.510 0.013 0.000 1.024 132 N CA 1.378 54.448 53.050 0.033 0.000 0.853 132 N CB 0.126 38.619 38.487 0.011 0.000 1.008 132 N HN 0.039 nan 8.380 nan 0.000 0.424 133 A N 0.608 123.401 122.820 -0.044 0.000 1.873 133 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 133 A C 1.943 179.462 177.584 -0.107 0.000 1.193 133 A CA 1.397 53.356 52.037 -0.131 0.000 0.629 133 A CB -1.246 17.590 19.000 -0.275 0.000 0.826 133 A HN 0.460 nan 8.150 nan 0.000 0.447 134 Y N -0.082 120.233 120.300 0.025 0.000 2.181 134 Y HA -0.108 4.442 4.550 -0.001 0.000 0.288 134 Y C 2.957 178.872 175.900 0.025 0.000 1.146 134 Y CA 0.809 58.929 58.100 0.034 0.000 1.164 134 Y CB -0.818 37.661 38.460 0.031 0.000 0.982 134 Y HN 0.338 nan 8.280 nan 0.000 0.515 135 A N -0.046 122.875 122.820 0.170 0.000 1.883 135 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 135 A C 2.190 179.811 177.584 0.061 0.000 1.186 135 A CA 1.749 53.845 52.037 0.098 0.000 0.624 135 A CB -0.581 18.461 19.000 0.070 0.000 0.822 135 A HN 0.381 nan 8.150 nan 0.000 0.444 136 Q N -0.308 119.515 119.800 0.038 0.000 2.084 136 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 136 Q C 2.206 178.208 176.000 0.002 0.000 0.978 136 Q CA 1.299 57.110 55.803 0.013 0.000 0.844 136 Q CB -0.501 28.237 28.738 -0.002 0.000 0.898 136 Q HN 0.728 nan 8.270 nan 0.000 0.426 137 L N -0.207 121.020 121.223 0.008 0.000 2.083 137 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 137 L C 2.405 179.284 176.870 0.015 0.000 1.083 137 L CA 1.177 56.007 54.840 -0.016 0.000 0.752 137 L CB -0.866 41.207 42.059 0.024 0.000 0.899 137 L HN 0.272 nan 8.230 nan 0.000 0.433 138 G N 0.121 108.959 108.800 0.063 0.000 2.418 138 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.217 138 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.217 138 G C 1.636 176.562 174.900 0.044 0.000 1.158 138 G CA 0.571 45.710 45.100 0.064 0.000 0.771 138 G HN 0.213 nan 8.290 nan 0.000 0.545 139 L N 0.220 121.462 121.223 0.032 0.000 2.013 139 L HA -0.155 4.184 4.340 -0.000 0.000 0.212 139 L C 3.053 179.935 176.870 0.020 0.000 1.073 139 L CA 0.846 55.701 54.840 0.026 0.000 0.753 139 L CB -0.608 41.462 42.059 0.018 0.000 0.890 139 L HN 0.116 nan 8.230 nan 0.000 0.432 140 V N 0.036 119.948 119.914 -0.003 0.000 2.255 140 V HA -0.331 3.789 4.120 -0.000 0.000 0.247 140 V C 2.410 178.509 176.094 0.009 0.000 1.051 140 V CA 1.908 64.194 62.300 -0.025 0.000 1.018 140 V CB -0.493 31.276 31.823 -0.089 0.000 0.641 140 V HN 0.337 nan 8.190 nan 0.000 0.445 141 L N -0.212 121.026 121.223 0.026 0.000 2.012 141 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 141 L C 2.488 179.429 176.870 0.118 0.000 1.073 141 L CA 1.801 56.692 54.840 0.085 0.000 0.748 141 L CB -0.784 41.326 42.059 0.085 0.000 0.891 141 L HN 0.349 nan 8.230 nan 0.000 0.431 142 D N -0.061 120.391 120.400 0.087 0.000 2.104 142 D HA -0.204 4.436 4.640 -0.000 0.000 0.194 142 D C 2.202 178.558 176.300 0.093 0.000 0.994 142 D CA 1.580 55.632 54.000 0.086 0.000 0.830 142 D CB -0.191 40.645 40.800 0.060 0.000 0.959 142 D HN 0.447 nan 8.370 nan 0.000 0.452 143 R N 0.887 121.435 120.500 0.079 0.000 2.153 143 R HA 0.002 4.342 4.340 -0.000 0.000 0.218 143 R C 2.136 178.510 176.300 0.123 0.000 1.072 143 R CA 1.386 57.534 56.100 0.081 0.000 0.990 143 R CB -0.533 29.802 30.300 0.059 0.000 0.889 143 R HN 0.133 nan 8.270 nan 0.000 0.452 144 S N 1.165 116.957 115.700 0.154 0.000 2.382 144 S HA -0.103 4.366 4.470 -0.000 0.000 0.228 144 S C 2.096 176.873 174.600 0.296 0.000 1.027 144 S CA 1.153 59.503 58.200 0.249 0.000 0.991 144 S CB -0.585 62.699 63.200 0.139 0.000 0.823 144 S HN 0.153 nan 8.310 nan 0.000 0.469 145 V N 2.409 122.489 119.914 0.276 0.000 2.332 145 V HA -0.150 3.969 4.120 -0.000 0.000 0.248 145 V C 2.515 178.689 176.094 0.133 0.000 1.055 145 V CA 1.988 64.453 62.300 0.276 0.000 1.038 145 V CB -0.856 31.097 31.823 0.217 0.000 0.651 145 V HN 0.521 nan 8.190 nan 0.000 0.450 146 L N -0.518 120.758 121.223 0.088 0.000 2.291 146 L HA -0.065 4.275 4.340 -0.000 0.000 0.214 146 L C 2.162 179.020 176.870 -0.019 0.000 1.120 146 L CA 1.164 56.022 54.840 0.030 0.000 0.799 146 L CB -0.465 41.614 42.059 0.033 0.000 0.925 146 L HN 0.413 nan 8.230 nan 0.000 0.446 147 E N 0.462 120.651 120.200 -0.018 0.000 2.472 147 E HA 0.186 4.535 4.350 -0.000 0.000 0.196 147 E C 0.825 177.095 176.600 -0.549 0.000 1.033 147 E CA -0.128 56.200 56.400 -0.121 0.000 0.886 147 E CB 0.361 30.106 29.700 0.075 0.000 0.944 147 E HN 0.342 nan 8.360 nan 0.000 0.492 148 A N 3.947 126.379 122.820 -0.647 0.000 2.548 148 A HA 0.083 4.402 4.320 -0.000 0.000 0.247 148 A C -2.076 175.132 177.584 -0.626 0.000 1.067 148 A CA -0.964 50.422 52.037 -1.086 0.000 0.757 148 A CB -0.330 18.483 19.000 -0.311 0.000 0.996 148 A HN -0.048 nan 8.150 nan 0.000 0.504 149 P HA 0.201 nan 4.420 nan 0.000 0.266 149 P C 0.863 178.094 177.300 -0.115 0.000 1.215 149 P CA 1.346 64.287 63.100 -0.264 0.000 0.763 149 P CB 0.749 32.354 31.700 -0.158 0.000 0.806 150 G N 2.314 111.067 108.800 -0.079 0.000 2.175 150 G HA2 -0.005 3.954 3.960 -0.000 0.000 0.244 150 G HA3 -0.005 3.954 3.960 -0.000 0.000 0.244 150 G C 0.503 175.383 174.900 -0.035 0.000 0.982 150 G CA 0.270 45.347 45.100 -0.038 0.000 0.641 150 G HN 1.007 nan 8.290 nan 0.000 0.527 151 G N -2.258 106.511 108.800 -0.051 0.000 2.860 151 G HA2 0.223 4.183 3.960 -0.000 0.000 0.553 151 G HA3 0.223 4.183 3.960 -0.000 0.000 0.553 151 G C -0.356 174.566 174.900 0.037 0.000 1.439 151 G CA 0.069 45.157 45.100 -0.019 0.000 0.879 151 G HN 1.576 nan 8.290 nan 0.000 0.545 152 V N 1.002 120.944 119.914 0.047 0.000 2.443 152 V HA 0.522 4.641 4.120 -0.000 0.000 0.293 152 V C -0.533 175.511 176.094 -0.083 0.000 1.021 152 V CA -0.185 62.156 62.300 0.068 0.000 0.848 152 V CB 1.815 33.746 31.823 0.179 0.000 0.998 152 V HN 0.872 nan 8.190 nan 0.000 0.424 153 D N 3.906 124.232 120.400 -0.124 0.000 2.493 153 D HA 0.291 4.931 4.640 -0.000 0.000 0.235 153 D C 1.276 177.295 176.300 -0.468 0.000 1.117 153 D CA -0.428 53.453 54.000 -0.200 0.000 0.930 153 D CB 0.743 41.493 40.800 -0.084 0.000 1.010 153 D HN 0.393 nan 8.370 nan 0.000 0.514 154 R N 1.458 121.508 120.500 -0.749 0.000 2.249 154 R HA -0.088 4.251 4.340 -0.000 0.000 0.230 154 R C 0.939 176.935 176.300 -0.506 0.000 1.121 154 R CA 1.009 56.365 56.100 -1.239 0.000 0.997 154 R CB 0.290 30.137 30.300 -0.755 0.000 0.867 154 R HN 0.501 nan 8.270 nan 0.000 0.465 155 E N 0.400 120.449 120.200 -0.252 0.000 2.474 155 E HA -0.002 4.347 4.350 -0.000 0.000 0.194 155 E C 0.159 176.753 176.600 -0.010 0.000 1.041 155 E CA -0.003 56.346 56.400 -0.085 0.000 0.874 155 E CB 0.495 30.155 29.700 -0.067 0.000 0.914 155 E HN 0.207 nan 8.360 nan 0.000 0.498 156 S N 0.156 115.859 115.700 0.005 0.000 2.585 156 S HA 0.318 4.788 4.470 -0.000 0.000 0.273 156 S C 1.244 175.923 174.600 0.133 0.000 1.339 156 S CA -0.133 58.107 58.200 0.067 0.000 1.028 156 S CB 1.801 65.047 63.200 0.078 0.000 0.906 156 S HN 0.128 nan 8.310 nan 0.000 0.528 157 A N 2.872 125.751 122.820 0.099 0.000 1.902 157 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 157 A C 2.363 180.043 177.584 0.161 0.000 1.181 157 A CA 1.786 53.888 52.037 0.109 0.000 0.623 157 A CB -1.498 17.536 19.000 0.057 0.000 0.818 157 A HN 0.871 nan 8.150 nan 0.000 0.443 158 S N -1.028 114.762 115.700 0.149 0.000 2.370 158 S HA -0.153 4.317 4.470 -0.000 0.000 0.226 158 S C 1.655 176.397 174.600 0.237 0.000 1.033 158 S CA 1.480 59.794 58.200 0.191 0.000 1.011 158 S CB -0.545 62.731 63.200 0.127 0.000 0.852 158 S HN 0.623 nan 8.310 nan 0.000 0.457 159 F N 2.368 122.358 119.950 0.066 0.000 2.069 159 F HA -0.146 4.380 4.527 -0.000 0.000 0.298 159 F C 2.229 178.047 175.800 0.031 0.000 1.113 159 F CA 1.584 59.601 58.000 0.028 0.000 1.214 159 F CB -0.401 38.605 39.000 0.010 0.000 0.978 159 F HN 0.100 nan 8.300 nan 0.000 0.474 160 M N -0.927 118.836 119.600 0.270 0.000 2.149 160 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 160 M C 2.159 178.503 176.300 0.074 0.000 1.064 160 M CA 1.736 57.127 55.300 0.152 0.000 1.102 160 M CB -0.857 31.852 32.600 0.180 0.000 1.369 160 M HN 0.346 nan 8.290 nan 0.000 0.408 161 F N 1.336 121.279 119.950 -0.012 0.000 2.075 161 F HA -0.034 4.493 4.527 -0.000 0.000 0.297 161 F C 2.250 178.017 175.800 -0.056 0.000 1.113 161 F CA 1.771 59.761 58.000 -0.018 0.000 1.218 161 F CB -1.109 37.891 39.000 0.000 0.000 0.984 161 F HN 0.076 nan 8.300 nan 0.000 0.472 162 G N 0.017 108.622 108.800 -0.324 0.000 2.476 162 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 162 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 162 G C 1.568 176.210 174.900 -0.431 0.000 1.164 162 G CA 1.067 45.890 45.100 -0.462 0.000 0.768 162 G HN 0.508 nan 8.290 nan 0.000 0.560 163 E N 0.079 120.036 120.200 -0.404 0.000 2.058 163 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 163 E C 2.188 178.665 176.600 -0.205 0.000 0.997 163 E CA 1.024 57.237 56.400 -0.312 0.000 0.801 163 E CB -0.167 29.386 29.700 -0.246 0.000 0.746 163 E HN 0.288 nan 8.360 nan 0.000 0.450 164 D N 0.389 120.681 120.400 -0.181 0.000 2.123 164 D HA -0.140 4.500 4.640 -0.000 0.000 0.196 164 D C 2.016 178.228 176.300 -0.146 0.000 0.992 164 D CA 0.750 54.677 54.000 -0.121 0.000 0.833 164 D CB 0.016 40.780 40.800 -0.059 0.000 0.954 164 D HN -0.028 nan 8.370 nan 0.000 0.455 165 V N 1.191 120.941 119.914 -0.273 0.000 2.287 165 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 165 V C 2.665 178.794 176.094 0.059 0.000 1.053 165 V CA 1.915 64.125 62.300 -0.150 0.000 1.027 165 V CB -0.918 30.740 31.823 -0.275 0.000 0.646 165 V HN 0.260 nan 8.190 nan 0.000 0.447 166 A N -0.104 122.695 122.820 -0.034 0.000 1.877 166 A HA -0.264 4.056 4.320 -0.000 0.000 0.216 166 A C 1.993 179.632 177.584 0.091 0.000 1.186 166 A CA 2.047 54.100 52.037 0.028 0.000 0.620 166 A CB -0.702 18.234 19.000 -0.107 0.000 0.822 166 A HN 0.537 nan 8.150 nan 0.000 0.443 167 D N -0.204 120.204 120.400 0.015 0.000 2.133 167 D HA -0.126 4.513 4.640 -0.000 0.000 0.195 167 D C 2.074 178.419 176.300 0.076 0.000 0.997 167 D CA 1.497 55.526 54.000 0.048 0.000 0.840 167 D CB -0.514 40.284 40.800 -0.003 0.000 0.947 167 D HN 0.231 nan 8.370 nan 0.000 0.452 168 V N 0.479 120.396 119.914 0.005 0.000 2.237 168 V HA -0.245 3.874 4.120 -0.000 0.000 0.245 168 V C 2.223 178.239 176.094 -0.131 0.000 1.046 168 V CA 1.451 63.687 62.300 -0.107 0.000 1.007 168 V CB -0.684 31.008 31.823 -0.218 0.000 0.638 168 V HN 0.069 nan 8.190 nan 0.000 0.445 169 F N -0.821 119.109 119.950 -0.033 0.000 2.161 169 F HA -0.162 4.364 4.527 -0.000 0.000 0.300 169 F C 2.135 177.908 175.800 -0.044 0.000 1.089 169 F CA 1.937 59.900 58.000 -0.062 0.000 1.282 169 F CB -0.670 38.300 39.000 -0.050 0.000 1.010 169 F HN 0.111 nan 8.300 nan 0.000 0.485 170 F N 0.619 120.613 119.950 0.074 0.000 2.075 170 F HA -0.137 4.389 4.527 -0.000 0.000 0.297 170 F C 2.396 178.185 175.800 -0.020 0.000 1.113 170 F CA 1.390 59.402 58.000 0.019 0.000 1.218 170 F CB -0.845 38.156 39.000 0.002 0.000 0.984 170 F HN -0.099 nan 8.300 nan 0.000 0.472 171 A N -0.003 122.835 122.820 0.029 0.000 1.940 171 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 171 A C 2.083 179.563 177.584 -0.173 0.000 1.176 171 A CA 1.854 53.844 52.037 -0.078 0.000 0.631 171 A CB -1.176 17.819 19.000 -0.009 0.000 0.814 171 A HN 0.514 nan 8.150 nan 0.000 0.446 172 L N -0.963 120.143 121.223 -0.195 0.000 2.068 172 L HA 0.084 4.424 4.340 -0.000 0.000 0.204 172 L C 1.964 178.694 176.870 -0.235 0.000 1.076 172 L CA 1.719 56.401 54.840 -0.264 0.000 0.753 172 L CB -0.212 41.607 42.059 -0.400 0.000 0.910 172 L HN 0.352 nan 8.230 nan 0.000 0.439 173 L N -1.066 120.025 121.223 -0.220 0.000 2.590 173 L HA 0.128 4.467 4.340 -0.000 0.000 0.227 173 L C 0.861 177.658 176.870 -0.122 0.000 1.099 173 L CA -0.144 54.586 54.840 -0.184 0.000 0.872 173 L CB -0.399 41.460 42.059 -0.334 0.000 1.088 173 L HN 0.281 nan 8.230 nan 0.000 0.479 174 N N 1.477 119.992 118.700 -0.307 0.000 2.454 174 N HA -0.097 4.643 4.740 -0.000 0.000 0.260 174 N C -0.843 174.552 175.510 -0.192 0.000 1.218 174 N CA 0.354 53.178 53.050 -0.376 0.000 0.904 174 N CB 0.620 38.517 38.487 -0.983 0.000 1.065 174 N HN -0.013 nan 8.380 nan 0.000 0.462 175 D N 5.095 125.451 120.400 -0.073 0.000 2.432 175 D HA 0.252 4.892 4.640 -0.000 0.000 0.265 175 D C -1.355 174.944 176.300 -0.001 0.000 1.160 175 D CA -1.959 52.040 54.000 -0.002 0.000 0.911 175 D CB 1.218 42.083 40.800 0.109 0.000 1.052 175 D HN 0.430 nan 8.370 nan 0.000 0.508 176 P HA -0.146 nan 4.420 nan 0.000 0.214 176 P C 0.677 177.987 177.300 0.016 0.000 1.163 176 P CA 0.739 63.835 63.100 -0.007 0.000 0.889 176 P CB 0.397 32.093 31.700 -0.007 0.000 0.790 177 R N -0.149 120.367 120.500 0.026 0.000 2.752 177 R HA 0.217 4.557 4.340 -0.000 0.000 0.279 177 R C 2.074 178.416 176.300 0.071 0.000 1.212 177 R CA 0.176 56.302 56.100 0.043 0.000 1.169 177 R CB -0.566 29.759 30.300 0.040 0.000 1.286 177 R HN 0.242 nan 8.270 nan 0.000 0.564 178 G N 0.856 109.704 108.800 0.081 0.000 2.440 178 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 178 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 178 G C 1.165 176.097 174.900 0.052 0.000 1.154 178 G CA 0.777 45.982 45.100 0.175 0.000 0.767 178 G HN 0.398 nan 8.290 nan 0.000 0.552 179 A N -0.045 122.735 122.820 -0.066 0.000 2.370 179 A HA 0.562 4.882 4.320 -0.000 0.000 0.238 179 A C 1.256 178.810 177.584 -0.050 0.000 1.289 179 A CA 0.361 52.305 52.037 -0.156 0.000 0.885 179 A CB -0.207 18.688 19.000 -0.174 0.000 0.961 179 A HN 0.286 nan 8.150 nan 0.000 0.499 180 S N 0.179 115.904 115.700 0.042 0.000 2.560 180 S HA 0.157 4.627 4.470 -0.000 0.000 0.284 180 S C 1.071 175.740 174.600 0.115 0.000 1.327 180 S CA 0.405 58.674 58.200 0.115 0.000 1.055 180 S CB 0.388 63.684 63.200 0.161 0.000 0.868 180 S HN 0.675 nan 8.310 nan 0.000 0.506 181 Q N 2.125 122.010 119.800 0.142 0.000 2.164 181 Q HA 0.329 4.669 4.340 -0.000 0.000 0.226 181 Q C 0.052 176.211 176.000 0.265 0.000 0.813 181 Q CA -0.389 55.462 55.803 0.081 0.000 0.978 181 Q CB 0.012 28.830 28.738 0.134 0.000 1.149 181 Q HN 0.753 nan 8.270 nan 0.000 0.489 182 E N 0.785 121.165 120.200 0.300 0.000 2.493 182 E HA 0.131 4.481 4.350 -0.000 0.000 0.255 182 E C 0.458 177.219 176.600 0.268 0.000 0.999 182 E CA 1.342 57.884 56.400 0.238 0.000 0.934 182 E CB -0.044 29.756 29.700 0.166 0.000 0.940 182 E HN 0.535 nan 8.360 nan 0.000 0.473 183 G N 3.517 112.404 108.800 0.144 0.000 2.213 183 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.236 183 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.236 183 G C -0.330 174.592 174.900 0.037 0.000 0.991 183 G CA 0.275 45.440 45.100 0.109 0.000 0.629 183 G HN 0.637 nan 8.290 nan 0.000 0.517 184 Y N 2.896 123.124 120.300 -0.119 0.000 2.310 184 Y HA 0.722 5.271 4.550 -0.000 0.000 0.326 184 Y C 0.088 175.550 175.900 -0.731 0.000 1.151 184 Y CA -0.589 57.344 58.100 -0.279 0.000 1.195 184 Y CB 0.905 39.118 38.460 -0.411 0.000 1.210 184 Y HN 0.272 nan 8.280 nan 0.000 0.483 185 H N 4.653 122.971 119.070 -1.253 0.000 3.029 185 H HA 0.263 4.819 4.556 -0.001 0.000 0.358 185 H C -2.671 172.036 175.328 -1.035 0.000 1.129 185 H CA -1.882 53.626 56.048 -0.899 0.000 1.230 185 H CB 1.731 31.288 29.762 -0.342 0.000 1.827 185 H HN 0.538 nan 8.280 nan 0.000 0.530 186 P HA 0.085 nan 4.420 nan 0.000 0.269 186 P C -0.244 177.020 177.300 -0.059 0.000 1.215 186 P CA -0.023 63.001 63.100 -0.127 0.000 0.780 186 P CB 0.637 32.334 31.700 -0.004 0.000 0.898 187 T N 3.070 117.645 114.554 0.035 0.000 3.053 187 T HA 0.342 4.692 4.350 -0.000 0.000 0.363 187 T C -2.346 172.373 174.700 0.033 0.000 1.239 187 T CA -1.366 60.748 62.100 0.025 0.000 1.071 187 T CB 0.076 68.970 68.868 0.044 0.000 1.089 187 T HN 0.254 nan 8.240 nan 0.000 0.527 188 P HA 0.441 nan 4.420 nan 0.000 0.266 188 P C 0.421 177.709 177.300 -0.019 0.000 1.193 188 P CA 0.588 63.694 63.100 0.009 0.000 0.770 188 P CB 0.515 32.219 31.700 0.007 0.000 0.836 189 G N 0.331 109.103 108.800 -0.047 0.000 2.352 189 G HA2 0.151 4.110 3.960 -0.000 0.000 0.302 189 G HA3 0.151 4.110 3.960 -0.000 0.000 0.302 189 G C -1.444 173.286 174.900 -0.283 0.000 1.370 189 G CA -1.076 43.954 45.100 -0.117 0.000 0.918 189 G HN 0.585 nan 8.290 nan 0.000 0.610 190 R N -0.283 119.969 120.500 -0.414 0.000 2.623 190 R HA 0.388 4.728 4.340 -0.000 0.000 0.271 190 R C 0.405 175.968 176.300 -1.229 0.000 1.043 190 R CA 0.586 56.138 56.100 -0.913 0.000 1.083 190 R CB -0.155 29.643 30.300 -0.836 0.000 0.974 190 R HN 1.087 nan 8.270 nan 0.000 0.436 191 Y N -0.434 118.513 120.300 -2.255 0.000 4.916 191 Y HA -0.294 4.255 4.550 -0.001 0.000 0.247 191 Y C -0.300 174.816 175.900 -1.307 0.000 0.962 191 Y CA 0.746 57.501 58.100 -2.242 0.000 1.933 191 Y CB -1.389 36.394 38.460 -1.128 0.000 1.451 191 Y HN 0.512 nan 8.280 nan 0.000 0.539 192 K N 1.128 121.118 120.400 -0.684 0.000 2.183 192 K HA 0.370 4.690 4.320 -0.000 0.000 0.274 192 K C -0.146 176.575 176.600 0.201 0.000 1.009 192 K CA -0.856 55.371 56.287 -0.100 0.000 0.888 192 K CB 0.894 33.367 32.500 -0.044 0.000 1.078 192 K HN 0.069 nan 8.250 nan 0.000 0.459 193 F N 2.560 122.616 119.950 0.178 0.000 2.529 193 F HA 0.091 4.617 4.527 -0.001 0.000 0.365 193 F C 0.207 176.156 175.800 0.250 0.000 1.102 193 F CA 0.584 58.731 58.000 0.246 0.000 1.271 193 F CB 0.526 39.630 39.000 0.175 0.000 1.120 193 F HN 0.561 nan 8.300 nan 0.000 0.579 194 D N 2.777 122.743 120.400 -0.723 0.000 2.665 194 D HA 0.180 4.820 4.640 -0.000 0.000 0.287 194 D C -1.762 174.212 176.300 -0.542 0.000 1.266 194 D CA -0.578 53.111 54.000 -0.519 0.000 0.830 194 D CB 1.329 42.061 40.800 -0.113 0.000 1.356 194 D HN 0.410 nan 8.370 nan 0.000 0.437 195 D N 1.272 121.567 120.400 -0.176 0.000 2.583 195 D HA -0.017 4.623 4.640 -0.000 0.000 0.232 195 D C 0.189 176.451 176.300 -0.063 0.000 1.128 195 D CA 0.651 54.613 54.000 -0.064 0.000 0.859 195 D CB 0.450 41.262 40.800 0.020 0.000 1.169 195 D HN 0.218 nan 8.370 nan 0.000 0.481 196 E N 3.386 123.577 120.200 -0.014 0.000 2.415 196 E HA -0.039 4.311 4.350 -0.000 0.000 0.260 196 E C -1.371 175.240 176.600 0.018 0.000 1.016 196 E CA -1.310 55.104 56.400 0.024 0.000 0.924 196 E CB 1.016 30.774 29.700 0.097 0.000 0.961 196 E HN 0.209 nan 8.360 nan 0.000 0.459 197 P HA -0.192 nan 4.420 nan 0.000 0.217 197 P C 1.111 178.382 177.300 -0.048 0.000 1.148 197 P CA 1.559 64.641 63.100 -0.030 0.000 0.828 197 P CB -0.004 31.668 31.700 -0.046 0.000 0.783 198 T N -5.434 109.089 114.554 -0.050 0.000 3.107 198 T HA 0.030 4.380 4.350 -0.000 0.000 0.249 198 T C 0.313 174.775 174.700 -0.397 0.000 1.096 198 T CA 0.170 62.169 62.100 -0.170 0.000 1.012 198 T CB -0.787 67.991 68.868 -0.150 0.000 0.977 198 T HN 0.178 nan 8.240 nan 0.000 0.527 199 H N 0.756 119.822 119.070 -0.008 0.000 2.806 199 H HA 0.290 4.845 4.556 -0.001 0.000 0.218 199 H C -2.100 173.214 175.328 -0.023 0.000 1.392 199 H CA -1.198 54.843 56.048 -0.011 0.000 1.358 199 H CB 1.302 31.065 29.762 0.001 0.000 1.944 199 H HN 0.103 nan 8.280 nan 0.000 0.530 200 P HA -0.071 nan 4.420 nan 0.000 0.221 200 P C 0.255 177.557 177.300 0.004 0.000 1.150 200 P CA 0.769 63.878 63.100 0.014 0.000 0.800 200 P CB 1.257 32.956 31.700 -0.001 0.000 0.787 201 V N -1.335 118.587 119.914 0.013 0.000 3.204 201 V HA 0.450 4.570 4.120 -0.000 0.000 0.298 201 V C -1.605 174.512 176.094 0.038 0.000 1.328 201 V CA -0.939 61.364 62.300 0.005 0.000 1.035 201 V CB 2.656 34.490 31.823 0.019 0.000 1.095 201 V HN -0.288 nan 8.190 nan 0.000 0.442 202 V N 4.977 124.926 119.914 0.059 0.000 2.876 202 V HA 0.561 4.681 4.120 -0.000 0.000 0.312 202 V C -0.681 175.488 176.094 0.125 0.000 1.085 202 V CA -0.687 61.671 62.300 0.096 0.000 0.945 202 V CB 2.021 33.914 31.823 0.118 0.000 1.017 202 V HN 0.745 nan 8.190 nan 0.000 0.428 203 L N 5.477 126.754 121.223 0.091 0.000 2.262 203 L HA 0.616 4.955 4.340 -0.000 0.000 0.288 203 L C -0.283 176.626 176.870 0.064 0.000 1.035 203 L CA -0.251 54.636 54.840 0.079 0.000 0.820 203 L CB 0.967 43.056 42.059 0.051 0.000 1.204 203 L HN 0.617 nan 8.230 nan 0.000 0.424 204 I N 1.814 122.420 120.570 0.061 0.000 2.562 204 I HA 0.646 4.816 4.170 -0.000 0.000 0.301 204 I C -2.434 173.677 176.117 -0.010 0.000 1.003 204 I CA -2.631 58.672 61.300 0.005 0.000 1.127 204 I CB 2.049 40.009 38.000 -0.067 0.000 1.304 204 I HN 0.278 nan 8.210 nan 0.000 0.446 205 P HA 0.018 nan 4.420 nan 0.000 0.268 205 P C 0.884 178.169 177.300 -0.026 0.000 1.205 205 P CA -0.192 62.898 63.100 -0.017 0.000 0.771 205 P CB 1.680 33.369 31.700 -0.018 0.000 0.858 206 V N 1.058 120.965 119.914 -0.012 0.000 2.407 206 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 206 V C 1.067 177.151 176.094 -0.015 0.000 1.055 206 V CA 2.029 64.323 62.300 -0.010 0.000 1.049 206 V CB -1.017 30.808 31.823 0.003 0.000 0.662 206 V HN 0.607 nan 8.190 nan 0.000 0.455 207 D N -0.428 119.965 120.400 -0.012 0.000 2.481 207 D HA 0.262 4.902 4.640 -0.000 0.000 0.246 207 D C -1.571 174.721 176.300 -0.014 0.000 1.109 207 D CA -2.380 51.614 54.000 -0.009 0.000 0.845 207 D CB 2.130 42.929 40.800 -0.001 0.000 1.160 207 D HN 0.016 nan 8.370 nan 0.000 0.534 208 P HA -0.106 nan 4.420 nan 0.000 0.222 208 P C 0.431 177.725 177.300 -0.010 0.000 1.147 208 P CA 0.637 63.723 63.100 -0.022 0.000 0.790 208 P CB 0.468 32.152 31.700 -0.027 0.000 0.780 209 N N -0.255 118.446 118.700 0.001 0.000 2.461 209 N HA -0.032 4.707 4.740 -0.000 0.000 0.188 209 N C 0.353 175.865 175.510 0.003 0.000 1.134 209 N CA 0.514 53.568 53.050 0.007 0.000 0.878 209 N CB -0.326 38.170 38.487 0.016 0.000 0.972 209 N HN 0.158 nan 8.380 nan 0.000 0.456 210 N N 0.629 119.328 118.700 -0.001 0.000 2.726 210 N HA 0.172 4.912 4.740 -0.000 0.000 0.253 210 N C -2.162 173.345 175.510 -0.005 0.000 1.530 210 N CA -1.651 51.398 53.050 -0.002 0.000 0.772 210 N CB 1.100 39.587 38.487 -0.000 0.000 1.220 210 N HN -0.108 nan 8.380 nan 0.000 0.508 211 P HA -0.010 nan 4.420 nan 0.000 0.230 211 P C -0.007 177.289 177.300 -0.006 0.000 1.158 211 P CA 0.906 64.001 63.100 -0.009 0.000 0.769 211 P CB 0.476 32.170 31.700 -0.010 0.000 0.807 212 N N -0.519 118.178 118.700 -0.005 0.000 2.299 212 N HA 0.097 4.837 4.740 -0.000 0.000 0.187 212 N C 1.314 176.823 175.510 -0.001 0.000 1.099 212 N CA 0.252 53.299 53.050 -0.004 0.000 0.867 212 N CB -0.192 38.292 38.487 -0.005 0.000 0.974 212 N HN 0.115 nan 8.380 nan 0.000 0.477 213 G N 1.253 110.053 108.800 -0.001 0.000 2.553 213 G HA2 0.225 4.185 3.960 -0.000 0.000 0.278 213 G HA3 0.225 4.185 3.960 -0.000 0.000 0.278 213 G C -2.249 172.652 174.900 0.003 0.000 1.349 213 G CA -0.878 44.222 45.100 0.001 0.000 1.037 213 G HN -0.035 nan 8.290 nan 0.000 0.508 214 P HA 0.115 nan 4.420 nan 0.000 0.265 214 P C -0.580 176.725 177.300 0.009 0.000 1.187 214 P CA 0.287 63.392 63.100 0.008 0.000 0.766 214 P CB 0.835 32.541 31.700 0.010 0.000 0.820 215 K N 2.810 123.218 120.400 0.014 0.000 2.288 215 K HA 0.738 5.058 4.320 -0.000 0.000 0.234 215 K C 0.459 177.076 176.600 0.028 0.000 1.037 215 K CA -0.764 55.534 56.287 0.018 0.000 0.914 215 K CB 1.017 33.530 32.500 0.022 0.000 1.197 215 K HN 0.664 nan 8.250 nan 0.000 0.471 216 M N -0.869 118.756 119.600 0.041 0.000 2.471 216 M HA 0.423 4.902 4.480 -0.000 0.000 0.284 216 M C -2.910 173.448 176.300 0.097 0.000 1.203 216 M CA -1.943 53.394 55.300 0.061 0.000 0.915 216 M CB 2.695 35.329 32.600 0.056 0.000 1.734 216 M HN 0.098 nan 8.290 nan 0.000 0.485 217 P HA 0.284 nan 4.420 nan 0.000 0.271 217 P C -1.631 175.807 177.300 0.230 0.000 1.216 217 P CA 0.308 63.487 63.100 0.132 0.000 0.776 217 P CB 0.620 32.376 31.700 0.093 0.000 0.881 218 F N 3.128 123.096 119.950 0.030 0.000 2.581 218 F HA 0.477 5.003 4.527 -0.000 0.000 0.311 218 F C -0.851 174.954 175.800 0.008 0.000 1.113 218 F CA -1.014 57.004 58.000 0.029 0.000 0.935 218 F CB 2.154 41.166 39.000 0.020 0.000 1.232 218 F HN 0.170 nan 8.300 nan 0.000 0.445 219 R N 4.398 124.422 120.500 -0.792 0.000 2.393 219 R HA 0.347 4.687 4.340 -0.000 0.000 0.315 219 R C -1.092 174.397 176.300 -1.351 0.000 0.952 219 R CA -0.804 54.836 56.100 -0.767 0.000 0.842 219 R CB 2.053 32.173 30.300 -0.301 0.000 1.163 219 R HN 0.712 nan 8.270 nan 0.000 0.450 220 Q N 2.814 121.925 119.800 -1.148 0.000 2.245 220 Q HA 0.319 4.658 4.340 -0.000 0.000 0.256 220 Q C -1.464 174.162 176.000 -0.624 0.000 0.942 220 Q CA -0.662 54.665 55.803 -0.794 0.000 0.896 220 Q CB 1.054 29.657 28.738 -0.225 0.000 1.272 220 Q HN 0.525 nan 8.270 nan 0.000 0.442 221 Y N 1.708 122.161 120.300 0.254 0.000 2.327 221 Y HA 0.199 4.749 4.550 -0.000 0.000 0.325 221 Y C -0.828 175.283 175.900 0.351 0.000 0.999 221 Y CA -0.940 57.415 58.100 0.424 0.000 1.195 221 Y CB 1.128 39.764 38.460 0.295 0.000 1.132 221 Y HN 0.692 nan 8.280 nan 0.000 0.455 222 H N 3.310 122.772 119.070 0.654 0.000 3.015 222 H HA 0.495 5.051 4.556 -0.000 0.000 0.268 222 H C 0.519 176.174 175.328 0.546 0.000 1.113 222 H CA 0.328 56.731 56.048 0.592 0.000 1.479 222 H CB 0.228 30.463 29.762 0.788 0.000 1.493 222 H HN 0.883 nan 8.280 nan 0.000 0.486 223 A N 5.888 128.527 122.820 -0.301 0.000 2.362 223 A HA -0.152 4.168 4.320 -0.000 0.000 0.290 223 A C -1.437 175.825 177.584 -0.537 0.000 1.441 223 A CA 0.364 52.194 52.037 -0.345 0.000 0.743 223 A CB -1.211 17.528 19.000 -0.434 0.000 1.125 223 A HN 0.763 nan 8.150 nan 0.000 0.378 224 P HA -0.032 nan 4.420 nan 0.000 0.223 224 P C 0.827 177.358 177.300 -1.283 0.000 1.151 224 P CA 1.139 62.805 63.100 -2.390 0.000 0.787 224 P CB -0.094 29.950 31.700 -2.760 0.000 0.788 225 F N -3.181 116.546 119.950 -0.371 0.000 2.717 225 F HA 0.179 4.706 4.527 -0.000 0.000 0.297 225 F C 2.433 178.203 175.800 -0.050 0.000 1.113 225 F CA -0.867 57.038 58.000 -0.158 0.000 1.319 225 F CB -1.442 37.492 39.000 -0.110 0.000 1.097 225 F HN -0.218 nan 8.300 nan 0.000 0.595 226 Y N 1.838 122.130 120.300 -0.014 0.000 2.002 226 Y HA -0.268 4.282 4.550 -0.000 0.000 0.268 226 Y C 2.567 178.462 175.900 -0.007 0.000 1.177 226 Y CA 1.973 60.063 58.100 -0.018 0.000 1.111 226 Y CB -0.898 37.517 38.460 -0.076 0.000 0.952 226 Y HN 0.077 nan 8.280 nan 0.000 0.491 227 G N -0.075 108.758 108.800 0.054 0.000 2.475 227 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.220 227 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.220 227 G C 1.532 176.326 174.900 -0.177 0.000 1.125 227 G CA 1.350 46.390 45.100 -0.100 0.000 0.755 227 G HN 0.614 nan 8.290 nan 0.000 0.565 228 K N -0.235 120.127 120.400 -0.063 0.000 2.323 228 K HA 0.082 4.402 4.320 -0.000 0.000 0.197 228 K C 2.060 178.621 176.600 -0.065 0.000 1.043 228 K CA 1.452 57.712 56.287 -0.045 0.000 0.997 228 K CB -0.085 32.436 32.500 0.035 0.000 0.807 228 K HN 0.297 nan 8.250 nan 0.000 0.497 229 T N -2.547 111.959 114.554 -0.081 0.000 2.990 229 T HA 0.043 4.393 4.350 -0.000 0.000 0.249 229 T C 0.997 175.621 174.700 -0.128 0.000 1.039 229 T CA -0.058 61.996 62.100 -0.077 0.000 1.036 229 T CB 0.106 68.953 68.868 -0.035 0.000 0.994 229 T HN 0.059 nan 8.240 nan 0.000 0.489 230 T N 2.114 116.516 114.554 -0.254 0.000 2.860 230 T HA 0.261 4.611 4.350 -0.000 0.000 0.299 230 T C -0.213 174.375 174.700 -0.186 0.000 1.045 230 T CA -0.357 61.566 62.100 -0.296 0.000 1.071 230 T CB 0.332 68.773 68.868 -0.711 0.000 0.985 230 T HN 0.254 nan 8.240 nan 0.000 0.537 231 K N 3.278 123.632 120.400 -0.078 0.000 2.297 231 K HA 0.278 4.598 4.320 -0.000 0.000 0.286 231 K C 0.179 176.848 176.600 0.115 0.000 1.053 231 K CA -0.542 55.757 56.287 0.020 0.000 0.940 231 K CB 0.706 33.232 32.500 0.043 0.000 1.019 231 K HN 0.385 nan 8.250 nan 0.000 0.475 232 R N 1.383 121.965 120.500 0.137 0.000 2.649 232 R HA 0.140 4.480 4.340 -0.000 0.000 0.270 232 R C 0.701 177.294 176.300 0.488 0.000 1.105 232 R CA 0.078 56.328 56.100 0.250 0.000 1.193 232 R CB 0.079 30.519 30.300 0.233 0.000 1.120 232 R HN 0.501 nan 8.270 nan 0.000 0.561 233 F N -0.744 119.304 119.950 0.163 0.000 2.289 233 F HA 0.312 4.839 4.527 -0.001 0.000 0.280 233 F C 1.575 177.602 175.800 0.379 0.000 1.045 233 F CA 1.128 59.269 58.000 0.235 0.000 1.236 233 F CB -0.383 38.690 39.000 0.121 0.000 1.116 233 F HN 0.571 nan 8.300 nan 0.000 0.550 234 A N -0.770 122.356 122.820 0.511 0.000 2.600 234 A HA 0.267 4.586 4.320 -0.000 0.000 0.252 234 A C 0.332 178.089 177.584 0.290 0.000 1.200 234 A CA 0.130 52.419 52.037 0.420 0.000 0.981 234 A CB -1.081 18.173 19.000 0.423 0.000 1.207 234 A HN 0.197 nan 8.150 nan 0.000 0.577 235 T N -0.881 113.854 114.554 0.302 0.000 2.919 235 T HA 0.321 4.671 4.350 -0.000 0.000 0.302 235 T C 0.216 175.045 174.700 0.215 0.000 1.031 235 T CA -0.178 62.089 62.100 0.277 0.000 1.127 235 T CB 1.024 70.124 68.868 0.387 0.000 0.952 235 T HN 0.153 nan 8.240 nan 0.000 0.540 236 Q N 1.052 120.946 119.800 0.157 0.000 2.189 236 Q HA 0.288 4.628 4.340 -0.000 0.000 0.221 236 Q C 0.207 176.231 176.000 0.040 0.000 0.848 236 Q CA -0.231 55.626 55.803 0.091 0.000 1.007 236 Q CB 0.064 28.842 28.738 0.067 0.000 1.116 236 Q HN 0.982 nan 8.270 nan 0.000 0.481 237 S N -1.441 114.265 115.700 0.010 0.000 2.656 237 S HA 0.365 4.834 4.470 -0.000 0.000 0.265 237 S C -1.096 173.350 174.600 -0.257 0.000 1.110 237 S CA -0.997 57.136 58.200 -0.112 0.000 0.821 237 S CB 1.546 64.627 63.200 -0.199 0.000 1.099 237 S HN -0.070 nan 8.310 nan 0.000 0.471 238 E N 1.333 121.393 120.200 -0.234 0.000 2.277 238 E HA 0.442 4.792 4.350 -0.000 0.000 0.274 238 E C -0.626 175.471 176.600 -0.840 0.000 1.022 238 E CA -0.322 55.891 56.400 -0.311 0.000 0.853 238 E CB 0.592 30.231 29.700 -0.102 0.000 1.086 238 E HN 0.631 nan 8.360 nan 0.000 0.397 239 H N 1.849 120.363 119.070 -0.926 0.000 2.524 239 H HA 0.459 5.015 4.556 -0.000 0.000 0.353 239 H C -0.571 174.326 175.328 -0.718 0.000 1.136 239 H CA -0.426 55.209 56.048 -0.688 0.000 1.193 239 H CB 1.007 30.313 29.762 -0.760 0.000 1.558 239 H HN 0.293 nan 8.280 nan 0.000 0.515 240 F N 0.911 120.976 119.950 0.191 0.000 2.613 240 F HA 0.450 4.977 4.527 -0.000 0.000 0.314 240 F C -0.312 175.600 175.800 0.187 0.000 1.075 240 F CA -0.818 57.267 58.000 0.142 0.000 0.945 240 F CB 1.762 40.727 39.000 -0.058 0.000 1.310 240 F HN 0.133 nan 8.300 nan 0.000 0.467 241 L N 1.457 122.887 121.223 0.346 0.000 2.319 241 L HA 0.818 5.158 4.340 -0.000 0.000 0.267 241 L C 0.096 177.103 176.870 0.228 0.000 1.011 241 L CA -1.282 53.728 54.840 0.284 0.000 0.818 241 L CB 1.816 43.994 42.059 0.198 0.000 1.316 241 L HN 0.817 nan 8.230 nan 0.000 0.432 242 A N 0.503 123.443 122.820 0.200 0.000 2.429 242 A HA 0.133 4.453 4.320 -0.000 0.000 0.242 242 A C -0.435 177.073 177.584 -0.126 0.000 1.088 242 A CA -0.346 51.736 52.037 0.075 0.000 0.784 242 A CB -0.030 19.019 19.000 0.082 0.000 1.038 242 A HN 0.690 nan 8.150 nan 0.000 0.501 243 D N 1.905 122.175 120.400 -0.217 0.000 2.424 243 D HA 0.281 4.921 4.640 -0.000 0.000 0.244 243 D C -2.091 173.718 176.300 -0.819 0.000 1.134 243 D CA -0.572 53.147 54.000 -0.469 0.000 0.881 243 D CB 0.480 41.139 40.800 -0.235 0.000 1.191 243 D HN 0.309 nan 8.370 nan 0.000 0.445 244 P HA 0.171 nan 4.420 nan 0.000 0.272 244 P C -2.652 173.899 177.300 -1.248 0.000 1.223 244 P CA -1.426 60.636 63.100 -1.730 0.000 0.784 244 P CB -0.099 30.141 31.700 -2.434 0.000 0.923 245 P HA 0.019 nan 4.420 nan 0.000 0.261 245 P C 1.085 177.928 177.300 -0.761 0.000 1.183 245 P CA 1.666 64.258 63.100 -0.847 0.000 0.761 245 P CB -0.306 30.898 31.700 -0.827 0.000 0.785 246 G N 2.117 110.513 108.800 -0.673 0.000 2.232 246 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.226 246 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.226 246 G C -0.182 174.164 174.900 -0.923 0.000 0.996 246 G CA -0.448 44.059 45.100 -0.988 0.000 0.626 246 G HN 0.458 nan 8.290 nan 0.000 0.509 247 L N 0.101 120.944 121.223 -0.634 0.000 2.333 247 L HA 0.690 5.030 4.340 -0.000 0.000 0.269 247 L C 1.673 178.389 176.870 -0.257 0.000 1.010 247 L CA -1.012 53.594 54.840 -0.389 0.000 0.818 247 L CB 1.562 43.464 42.059 -0.262 0.000 1.306 247 L HN 0.377 nan 8.230 nan 0.000 0.430 248 R N 0.357 120.772 120.500 -0.142 0.000 3.614 248 R HA -0.326 4.014 4.340 -0.000 0.000 0.542 248 R C 1.576 177.813 176.300 -0.106 0.000 0.241 248 R CA 1.931 57.979 56.100 -0.088 0.000 1.684 248 R CB -1.557 28.726 30.300 -0.028 0.000 0.889 248 R HN 0.863 nan 8.270 nan 0.000 0.611 249 S N 0.738 116.384 115.700 -0.090 0.000 2.469 249 S HA -0.044 4.426 4.470 -0.000 0.000 0.238 249 S C 1.032 175.561 174.600 -0.117 0.000 0.998 249 S CA 1.437 59.587 58.200 -0.084 0.000 0.957 249 S CB -0.092 63.075 63.200 -0.054 0.000 0.764 249 S HN 0.424 nan 8.310 nan 0.000 0.514 250 N N 0.967 119.559 118.700 -0.180 0.000 2.238 250 N HA 0.408 5.148 4.740 -0.000 0.000 0.222 250 N C 1.118 176.471 175.510 -0.262 0.000 1.133 250 N CA 0.617 53.533 53.050 -0.223 0.000 0.854 250 N CB 0.593 38.901 38.487 -0.298 0.000 1.041 250 N HN 0.531 nan 8.380 nan 0.000 0.510 251 A N 0.996 123.679 122.820 -0.230 0.000 2.125 251 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 251 A C 1.609 179.087 177.584 -0.178 0.000 1.156 251 A CA 1.176 53.067 52.037 -0.243 0.000 0.671 251 A CB -0.126 18.767 19.000 -0.178 0.000 0.794 251 A HN 0.314 nan 8.150 nan 0.000 0.459 252 D N -0.435 119.883 120.400 -0.137 0.000 2.340 252 D HA -0.044 4.596 4.640 -0.000 0.000 0.220 252 D C -0.207 176.041 176.300 -0.087 0.000 1.039 252 D CA 0.119 54.064 54.000 -0.092 0.000 0.866 252 D CB -0.204 40.555 40.800 -0.068 0.000 0.913 252 D HN 0.258 nan 8.370 nan 0.000 0.523 253 E N 1.725 121.850 120.200 -0.124 0.000 2.346 253 E HA 0.033 4.383 4.350 -0.000 0.000 0.317 253 E C 1.196 177.764 176.600 -0.053 0.000 1.404 253 E CA 0.038 56.378 56.400 -0.099 0.000 1.534 253 E CB 0.254 29.860 29.700 -0.156 0.000 1.309 253 E HN 0.423 nan 8.360 nan 0.000 0.499 254 T N -2.479 112.065 114.554 -0.016 0.000 2.896 254 T HA -0.039 4.311 4.350 -0.000 0.000 0.263 254 T C 1.947 176.702 174.700 0.091 0.000 1.050 254 T CA 0.744 62.872 62.100 0.047 0.000 1.140 254 T CB 0.118 69.001 68.868 0.025 0.000 0.877 254 T HN 0.211 nan 8.240 nan 0.000 0.457 255 A N 1.916 124.769 122.820 0.055 0.000 1.933 255 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 255 A C 2.312 179.953 177.584 0.095 0.000 1.175 255 A CA 2.015 54.090 52.037 0.063 0.000 0.628 255 A CB -0.819 18.199 19.000 0.030 0.000 0.814 255 A HN 0.583 nan 8.150 nan 0.000 0.444 256 E N -0.970 119.287 120.200 0.096 0.000 2.028 256 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 256 E C 1.830 178.547 176.600 0.194 0.000 0.988 256 E CA 1.755 58.240 56.400 0.141 0.000 0.799 256 E CB -0.662 29.084 29.700 0.077 0.000 0.755 256 E HN 0.611 nan 8.360 nan 0.000 0.447 257 Y N 1.311 121.640 120.300 0.049 0.000 2.128 257 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 257 Y C 1.760 177.759 175.900 0.165 0.000 1.154 257 Y CA 2.411 60.574 58.100 0.105 0.000 1.149 257 Y CB -0.371 38.109 38.460 0.034 0.000 0.976 257 Y HN 0.123 nan 8.280 nan 0.000 0.505 258 D N -0.205 120.288 120.400 0.155 0.000 2.117 258 D HA -0.185 4.455 4.640 -0.000 0.000 0.197 258 D C 1.773 178.131 176.300 0.097 0.000 0.987 258 D CA 1.803 55.857 54.000 0.090 0.000 0.829 258 D CB -0.535 40.321 40.800 0.094 0.000 0.961 258 D HN 0.455 nan 8.370 nan 0.000 0.460 259 D N -0.229 120.242 120.400 0.118 0.000 2.178 259 D HA -0.020 4.620 4.640 -0.000 0.000 0.202 259 D C 1.915 178.292 176.300 0.129 0.000 0.974 259 D CA 1.162 55.239 54.000 0.127 0.000 0.841 259 D CB 0.004 40.897 40.800 0.154 0.000 0.953 259 D HN 0.099 nan 8.370 nan 0.000 0.478 260 A N -0.226 122.682 122.820 0.147 0.000 1.902 260 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 260 A C 2.429 180.121 177.584 0.180 0.000 1.181 260 A CA 1.460 53.615 52.037 0.197 0.000 0.623 260 A CB -0.818 18.374 19.000 0.320 0.000 0.818 260 A HN 0.192 nan 8.150 nan 0.000 0.443 261 V N -0.109 119.856 119.914 0.086 0.000 2.343 261 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 261 V C 2.630 178.689 176.094 -0.057 0.000 1.051 261 V CA 2.368 64.701 62.300 0.055 0.000 1.036 261 V CB -0.832 30.984 31.823 -0.012 0.000 0.654 261 V HN 0.667 nan 8.190 nan 0.000 0.451 262 R N -0.079 120.421 120.500 0.000 0.000 2.070 262 R HA -0.139 4.201 4.340 -0.000 0.000 0.233 262 R C 2.200 178.484 176.300 -0.027 0.000 1.137 262 R CA 1.838 57.929 56.100 -0.016 0.000 0.945 262 R CB -0.450 29.871 30.300 0.036 0.000 0.845 262 R HN 0.358 nan 8.270 nan 0.000 0.430 263 V N 1.019 120.942 119.914 0.015 0.000 2.407 263 V HA -0.210 3.909 4.120 -0.000 0.000 0.248 263 V C 2.394 178.490 176.094 0.004 0.000 1.055 263 V CA 1.798 64.113 62.300 0.026 0.000 1.049 263 V CB -0.670 31.177 31.823 0.041 0.000 0.662 263 V HN 0.570 nan 8.190 nan 0.000 0.455 264 A N 0.151 122.932 122.820 -0.065 0.000 1.877 264 A HA -0.190 4.129 4.320 -0.000 0.000 0.216 264 A C 2.181 179.675 177.584 -0.150 0.000 1.186 264 A CA 2.015 53.962 52.037 -0.150 0.000 0.620 264 A CB -0.518 18.257 19.000 -0.375 0.000 0.822 264 A HN 0.496 nan 8.150 nan 0.000 0.443 265 I N -0.333 120.011 120.570 -0.376 0.000 2.179 265 I HA -0.285 3.884 4.170 -0.000 0.000 0.242 265 I C 2.990 179.156 176.117 0.082 0.000 1.088 265 I CA 1.176 62.245 61.300 -0.385 0.000 1.357 265 I CB -0.376 37.322 38.000 -0.503 0.000 1.051 265 I HN 0.364 nan 8.210 nan 0.000 0.409 266 A N 0.439 123.284 122.820 0.042 0.000 1.898 266 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 266 A C 2.229 179.905 177.584 0.153 0.000 1.181 266 A CA 1.506 53.601 52.037 0.098 0.000 0.620 266 A CB -0.281 18.759 19.000 0.067 0.000 0.819 266 A HN 0.310 nan 8.150 nan 0.000 0.442 267 M N -1.415 118.294 119.600 0.181 0.000 2.501 267 M HA 0.130 4.610 4.480 -0.000 0.000 0.261 267 M C 1.750 178.212 176.300 0.270 0.000 1.129 267 M CA 1.129 56.584 55.300 0.257 0.000 1.126 267 M CB -0.922 31.881 32.600 0.337 0.000 1.359 267 M HN 0.429 nan 8.290 nan 0.000 0.471 268 G N -0.174 108.790 108.800 0.273 0.000 3.651 268 G HA2 0.433 4.393 3.960 -0.000 0.000 0.279 268 G HA3 0.433 4.393 3.960 -0.000 0.000 0.279 268 G C 0.586 175.568 174.900 0.136 0.000 1.024 268 G CA -0.085 45.144 45.100 0.215 0.000 0.813 268 G HN 0.481 nan 8.290 nan 0.000 0.518 269 G N 0.051 109.001 108.800 0.250 0.000 2.599 269 G HA2 0.544 4.503 3.960 -0.000 0.000 0.264 269 G HA3 0.544 4.503 3.960 -0.000 0.000 0.264 269 G C 0.562 175.377 174.900 -0.141 0.000 1.200 269 G CA 0.188 45.279 45.100 -0.014 0.000 0.896 269 G HN 0.565 nan 8.290 nan 0.000 0.536 270 A N -0.321 122.345 122.820 -0.256 0.000 2.520 270 A HA 0.160 4.480 4.320 -0.000 0.000 0.235 270 A C 1.584 179.123 177.584 -0.075 0.000 1.065 270 A CA 0.700 52.635 52.037 -0.170 0.000 0.764 270 A CB 0.159 19.053 19.000 -0.177 0.000 1.002 270 A HN 0.898 nan 8.150 nan 0.000 0.502 271 Q N 1.442 121.204 119.800 -0.062 0.000 2.096 271 Q HA -0.254 4.086 4.340 -0.000 0.000 0.208 271 Q C 1.728 177.718 176.000 -0.017 0.000 0.993 271 Q CA 2.391 58.174 55.803 -0.034 0.000 0.862 271 Q CB -0.247 28.469 28.738 -0.036 0.000 0.915 271 Q HN 0.924 nan 8.270 nan 0.000 0.416 272 A N -0.009 122.798 122.820 -0.021 0.000 2.251 272 A HA 0.230 4.549 4.320 -0.000 0.000 0.209 272 A C 0.532 178.119 177.584 0.004 0.000 1.187 272 A CA -0.240 51.792 52.037 -0.009 0.000 0.823 272 A CB -0.038 18.953 19.000 -0.014 0.000 0.846 272 A HN 0.316 nan 8.150 nan 0.000 0.486 273 L N 0.522 121.752 121.223 0.012 0.000 2.397 273 L HA 0.104 4.444 4.340 -0.000 0.000 0.271 273 L C 0.944 177.846 176.870 0.054 0.000 1.148 273 L CA -0.676 54.189 54.840 0.042 0.000 0.825 273 L CB 0.320 42.425 42.059 0.077 0.000 1.117 273 L HN 0.285 nan 8.230 nan 0.000 0.456 274 N N 0.796 119.527 118.700 0.052 0.000 2.453 274 N HA -0.123 4.617 4.740 -0.000 0.000 0.183 274 N C 1.578 177.122 175.510 0.058 0.000 1.041 274 N CA 1.325 54.403 53.050 0.045 0.000 0.900 274 N CB 0.131 38.639 38.487 0.035 0.000 0.961 274 N HN 0.701 nan 8.380 nan 0.000 0.443 275 S N -0.857 114.894 115.700 0.085 0.000 2.527 275 S HA 0.038 4.507 4.470 -0.000 0.000 0.222 275 S C 0.886 175.551 174.600 0.109 0.000 0.985 275 S CA -0.047 58.208 58.200 0.091 0.000 0.921 275 S CB -0.188 63.078 63.200 0.109 0.000 0.772 275 S HN -0.015 nan 8.310 nan 0.000 0.529 276 T N 3.629 118.253 114.554 0.117 0.000 2.779 276 T HA 0.272 4.621 4.350 -0.000 0.000 0.296 276 T C 0.581 175.328 174.700 0.077 0.000 0.938 276 T CA -0.348 61.820 62.100 0.114 0.000 1.119 276 T CB 0.789 69.711 68.868 0.090 0.000 0.891 276 T HN 0.117 nan 8.240 nan 0.000 0.526 277 K N 1.945 122.394 120.400 0.082 0.000 2.358 277 K HA 0.133 4.453 4.320 -0.000 0.000 0.200 277 K C 0.873 177.509 176.600 0.059 0.000 1.030 277 K CA -0.226 56.101 56.287 0.066 0.000 1.097 277 K CB 0.401 32.943 32.500 0.070 0.000 0.862 277 K HN 0.434 nan 8.250 nan 0.000 0.534 278 R N 2.441 122.974 120.500 0.054 0.000 2.570 278 R HA 0.024 4.364 4.340 -0.000 0.000 0.277 278 R C 0.174 176.453 176.300 -0.035 0.000 1.039 278 R CA 0.279 56.377 56.100 -0.002 0.000 1.065 278 R CB 0.514 30.805 30.300 -0.016 0.000 0.964 278 R HN 0.108 nan 8.270 nan 0.000 0.428 279 S N 4.039 119.698 115.700 -0.068 0.000 2.632 279 S HA 0.245 4.714 4.470 -0.000 0.000 0.267 279 S C -1.858 172.718 174.600 -0.039 0.000 1.276 279 S CA -1.306 56.880 58.200 -0.024 0.000 0.998 279 S CB 1.577 64.791 63.200 0.023 0.000 0.953 279 S HN 0.505 nan 8.310 nan 0.000 0.547 280 P HA -0.087 nan 4.420 nan 0.000 0.216 280 P C 1.235 178.576 177.300 0.068 0.000 1.150 280 P CA 1.059 64.181 63.100 0.036 0.000 0.837 280 P CB -0.076 31.666 31.700 0.070 0.000 0.786 281 W N 0.682 121.923 121.300 -0.099 0.000 2.381 281 W HA -0.178 4.482 4.660 -0.000 0.000 0.301 281 W C 1.809 178.228 176.519 -0.168 0.000 1.205 281 W CA 1.231 58.515 57.345 -0.103 0.000 1.285 281 W CB -0.358 29.052 29.460 -0.084 0.000 1.133 281 W HN 0.006 nan 8.180 nan 0.000 0.521 282 Q N -0.382 119.201 119.800 -0.362 0.000 2.170 282 Q HA -0.175 4.164 4.340 -0.000 0.000 0.203 282 Q C 2.026 177.637 176.000 -0.649 0.000 0.976 282 Q CA 2.317 57.617 55.803 -0.838 0.000 0.858 282 Q CB -0.485 27.547 28.738 -1.176 0.000 0.907 282 Q HN 0.143 nan 8.270 nan 0.000 0.433 283 T N 0.740 115.081 114.554 -0.355 0.000 2.746 283 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 283 T C 1.907 176.504 174.700 -0.172 0.000 1.039 283 T CA 1.176 63.163 62.100 -0.189 0.000 1.142 283 T CB -0.253 68.549 68.868 -0.110 0.000 0.866 283 T HN 0.403 nan 8.240 nan 0.000 0.444 284 A N 1.540 124.203 122.820 -0.261 0.000 1.902 284 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 284 A C 2.292 179.709 177.584 -0.278 0.000 1.181 284 A CA 1.484 53.350 52.037 -0.284 0.000 0.623 284 A CB -0.671 18.066 19.000 -0.439 0.000 0.818 284 A HN 0.544 nan 8.150 nan 0.000 0.443 285 Q N -0.731 118.812 119.800 -0.428 0.000 2.135 285 Q HA -0.129 4.210 4.340 -0.000 0.000 0.204 285 Q C 2.169 178.306 176.000 0.228 0.000 0.981 285 Q CA 1.215 56.942 55.803 -0.128 0.000 0.856 285 Q CB -0.427 28.232 28.738 -0.133 0.000 0.902 285 Q HN 0.698 nan 8.270 nan 0.000 0.425 286 G N 0.848 109.758 108.800 0.183 0.000 2.404 286 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.215 286 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.215 286 G C 1.391 176.376 174.900 0.142 0.000 1.174 286 G CA 0.399 45.627 45.100 0.214 0.000 0.780 286 G HN 0.166 nan 8.290 nan 0.000 0.537 287 L N -1.083 120.180 121.223 0.066 0.000 2.156 287 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 287 L C 2.538 179.426 176.870 0.030 0.000 1.095 287 L CA 0.719 55.568 54.840 0.016 0.000 0.770 287 L CB -0.502 41.535 42.059 -0.038 0.000 0.914 287 L HN 0.249 nan 8.230 nan 0.000 0.439 288 Y N 0.123 120.375 120.300 -0.080 0.000 2.139 288 Y HA -0.297 4.253 4.550 -0.001 0.000 0.282 288 Y C 1.711 177.447 175.900 -0.274 0.000 1.179 288 Y CA 1.908 59.883 58.100 -0.209 0.000 1.161 288 Y CB -0.239 38.072 38.460 -0.248 0.000 0.970 288 Y HN 0.108 nan 8.280 nan 0.000 0.511 289 W N -0.901 120.542 121.300 0.238 0.000 3.316 289 W HA 0.360 5.020 4.660 -0.000 0.000 0.327 289 W C 2.025 178.707 176.519 0.272 0.000 1.232 289 W CA 0.286 57.804 57.345 0.288 0.000 1.805 289 W CB -0.523 29.177 29.460 0.401 0.000 1.090 289 W HN 0.101 nan 8.180 nan 0.000 0.654 290 A N 0.209 123.202 122.820 0.289 0.000 1.844 290 A HA -0.251 4.069 4.320 -0.000 0.000 0.214 290 A C 0.554 178.367 177.584 0.382 0.000 1.217 290 A CA 1.497 53.663 52.037 0.214 0.000 0.644 290 A CB -1.423 17.585 19.000 0.013 0.000 0.850 290 A HN 0.385 nan 8.150 nan 0.000 0.456 291 Y N 0.266 120.523 120.300 -0.071 0.000 3.305 291 Y HA -0.165 4.384 4.550 -0.001 0.000 0.212 291 Y C -0.181 175.707 175.900 -0.018 0.000 1.248 291 Y CA 0.652 58.682 58.100 -0.117 0.000 1.359 291 Y CB -1.962 36.384 38.460 -0.190 0.000 1.407 291 Y HN 0.448 nan 8.280 nan 0.000 0.572 292 D N 0.875 121.339 120.400 0.107 0.000 3.008 292 D HA 0.279 4.919 4.640 -0.000 0.000 0.242 292 D C 1.513 177.904 176.300 0.152 0.000 1.222 292 D CA 1.146 55.247 54.000 0.169 0.000 0.883 292 D CB -0.372 40.492 40.800 0.106 0.000 1.110 292 D HN 0.733 nan 8.370 nan 0.000 0.455 293 G N 0.774 109.573 108.800 -0.001 0.000 2.147 293 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.244 293 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.244 293 G C 0.547 175.437 174.900 -0.017 0.000 1.005 293 G CA 0.133 45.197 45.100 -0.059 0.000 0.713 293 G HN 0.358 nan 8.290 nan 0.000 0.515 294 S N 0.300 115.950 115.700 -0.082 0.000 2.600 294 S HA 0.385 4.854 4.470 -0.000 0.000 0.265 294 S C 0.699 175.205 174.600 -0.156 0.000 1.325 294 S CA -0.663 57.471 58.200 -0.109 0.000 1.002 294 S CB 0.560 63.667 63.200 -0.155 0.000 0.921 294 S HN 0.439 nan 8.310 nan 0.000 0.554 295 N N 1.314 119.891 118.700 -0.205 0.000 2.412 295 N HA 0.086 4.825 4.740 -0.000 0.000 0.254 295 N C 0.810 176.129 175.510 -0.319 0.000 1.232 295 N CA 0.234 53.099 53.050 -0.307 0.000 0.880 295 N CB -0.189 37.957 38.487 -0.568 0.000 1.076 295 N HN 0.680 nan 8.380 nan 0.000 0.458 296 L N 0.224 121.292 121.223 -0.258 0.000 4.813 296 L HA -0.310 4.030 4.340 -0.000 0.000 0.434 296 L C 0.736 177.486 176.870 -0.201 0.000 1.106 296 L CA 0.680 55.398 54.840 -0.204 0.000 0.991 296 L CB -1.415 40.512 42.059 -0.220 0.000 2.005 296 L HN 0.610 nan 8.230 nan 0.000 0.817 297 I N -2.041 118.388 120.570 -0.235 0.000 3.873 297 I HA 0.375 4.545 4.170 -0.000 0.000 0.284 297 I C 1.580 177.562 176.117 -0.224 0.000 1.186 297 I CA 0.752 61.860 61.300 -0.319 0.000 1.362 297 I CB 0.637 38.322 38.000 -0.526 0.000 1.432 297 I HN 0.430 nan 8.210 nan 0.000 0.454 298 G N 1.692 110.348 108.800 -0.240 0.000 2.508 298 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.220 298 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.220 298 G C 0.011 174.670 174.900 -0.402 0.000 1.287 298 G CA -0.130 44.743 45.100 -0.380 0.000 0.916 298 G HN 0.413 nan 8.290 nan 0.000 0.574 299 T N -1.742 112.578 114.554 -0.390 0.000 2.937 299 T HA 0.727 5.077 4.350 -0.000 0.000 0.283 299 T C -1.433 173.176 174.700 -0.152 0.000 1.012 299 T CA -0.713 61.252 62.100 -0.224 0.000 0.997 299 T CB 2.226 70.939 68.868 -0.258 0.000 1.136 299 T HN 0.341 nan 8.240 nan 0.000 0.551 300 P HA -0.027 nan 4.420 nan 0.000 0.216 300 P C -1.572 175.238 177.300 -0.816 0.000 1.153 300 P CA 1.377 64.119 63.100 -0.598 0.000 0.858 300 P CB -1.207 30.114 31.700 -0.630 0.000 0.789 301 P HA -0.175 nan 4.420 nan 0.000 0.216 301 P C 1.555 178.693 177.300 -0.271 0.000 1.150 301 P CA 1.516 64.377 63.100 -0.398 0.000 0.843 301 P CB -0.317 31.149 31.700 -0.390 0.000 0.787 302 R N -1.441 118.917 120.500 -0.236 0.000 2.073 302 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 302 R C 2.121 178.319 176.300 -0.170 0.000 1.134 302 R CA 1.431 57.456 56.100 -0.124 0.000 0.952 302 R CB -0.995 29.288 30.300 -0.029 0.000 0.850 302 R HN 0.046 nan 8.270 nan 0.000 0.433 303 F N 0.541 120.072 119.950 -0.699 0.000 2.102 303 F HA -0.161 4.366 4.527 -0.001 0.000 0.298 303 F C 1.482 177.019 175.800 -0.437 0.000 1.105 303 F CA 1.138 58.595 58.000 -0.905 0.000 1.239 303 F CB -0.686 37.291 39.000 -1.705 0.000 0.991 303 F HN 0.018 nan 8.300 nan 0.000 0.474 304 Y N 0.248 120.378 120.300 -0.283 0.000 2.207 304 Y HA -0.219 4.331 4.550 -0.001 0.000 0.287 304 Y C 2.317 178.077 175.900 -0.233 0.000 1.156 304 Y CA 1.579 59.503 58.100 -0.293 0.000 1.182 304 Y CB -1.685 36.560 38.460 -0.358 0.000 0.979 304 Y HN 0.128 nan 8.280 nan 0.000 0.521 305 N N -0.414 118.267 118.700 -0.033 0.000 2.216 305 N HA -0.126 4.614 4.740 -0.000 0.000 0.183 305 N C 1.693 177.253 175.510 0.083 0.000 1.017 305 N CA 1.063 54.146 53.050 0.055 0.000 0.861 305 N CB -0.243 38.304 38.487 0.100 0.000 0.986 305 N HN 0.425 nan 8.380 nan 0.000 0.428 306 Q N 0.060 119.864 119.800 0.007 0.000 2.124 306 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 306 Q C 1.804 177.810 176.000 0.010 0.000 0.977 306 Q CA 0.934 56.762 55.803 0.042 0.000 0.850 306 Q CB -0.038 28.743 28.738 0.071 0.000 0.901 306 Q HN 0.473 nan 8.270 nan 0.000 0.429 307 I N -0.231 120.264 120.570 -0.124 0.000 2.202 307 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 307 I C 2.193 178.334 176.117 0.040 0.000 1.091 307 I CA 0.765 62.016 61.300 -0.082 0.000 1.368 307 I CB -0.268 37.650 38.000 -0.136 0.000 1.058 307 I HN 0.028 nan 8.210 nan 0.000 0.410 308 V N 1.066 121.000 119.914 0.033 0.000 2.490 308 V HA -0.268 3.851 4.120 -0.000 0.000 0.250 308 V C 2.569 178.669 176.094 0.010 0.000 1.061 308 V CA 1.773 64.048 62.300 -0.041 0.000 1.064 308 V CB -0.794 30.872 31.823 -0.262 0.000 0.670 308 V HN 0.376 nan 8.190 nan 0.000 0.461 309 R N -0.293 120.311 120.500 0.173 0.000 2.091 309 R HA -0.196 4.143 4.340 -0.000 0.000 0.238 309 R C 2.520 178.871 176.300 0.085 0.000 1.136 309 R CA 1.899 58.135 56.100 0.226 0.000 0.959 309 R CB -0.404 30.062 30.300 0.276 0.000 0.856 309 R HN 0.448 nan 8.270 nan 0.000 0.437 310 R N 1.072 121.679 120.500 0.179 0.000 2.075 310 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 310 R C 2.148 178.484 176.300 0.060 0.000 1.126 310 R CA 1.386 57.597 56.100 0.186 0.000 0.963 310 R CB -0.226 30.190 30.300 0.192 0.000 0.858 310 R HN 0.163 nan 8.270 nan 0.000 0.435 311 I N 0.953 121.566 120.570 0.071 0.000 2.208 311 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 311 I C 2.604 178.789 176.117 0.113 0.000 1.097 311 I CA 1.310 62.674 61.300 0.106 0.000 1.363 311 I CB -0.507 37.549 38.000 0.094 0.000 1.051 311 I HN 0.345 nan 8.210 nan 0.000 0.413 312 A N 0.521 123.384 122.820 0.071 0.000 1.892 312 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 312 A C 2.420 180.062 177.584 0.096 0.000 1.188 312 A CA 2.160 54.271 52.037 0.123 0.000 0.631 312 A CB -1.023 17.886 19.000 -0.152 0.000 0.822 312 A HN 0.259 nan 8.150 nan 0.000 0.447 313 V N -0.555 119.249 119.914 -0.182 0.000 2.453 313 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 313 V C 2.671 178.722 176.094 -0.072 0.000 1.048 313 V CA 2.279 64.469 62.300 -0.183 0.000 1.049 313 V CB -1.174 30.276 31.823 -0.621 0.000 0.672 313 V HN 0.600 nan 8.190 nan 0.000 0.457 314 T N -0.728 113.740 114.554 -0.144 0.000 2.833 314 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 314 T C 1.106 175.490 174.700 -0.527 0.000 1.054 314 T CA 1.578 63.469 62.100 -0.348 0.000 1.135 314 T CB -0.286 68.278 68.868 -0.506 0.000 0.869 314 T HN 0.552 nan 8.240 nan 0.000 0.466 315 Y N 1.727 122.067 120.300 0.066 0.000 2.720 315 Y HA 0.309 4.859 4.550 -0.000 0.000 0.268 315 Y C 0.714 176.757 175.900 0.239 0.000 1.142 315 Y CA -1.302 56.859 58.100 0.102 0.000 1.193 315 Y CB -0.207 38.218 38.460 -0.060 0.000 1.176 315 Y HN 0.165 nan 8.280 nan 0.000 0.542 316 K N -0.132 120.458 120.400 0.315 0.000 2.319 316 K HA 0.163 4.483 4.320 -0.000 0.000 0.265 316 K C 0.289 177.015 176.600 0.210 0.000 1.000 316 K CA -0.330 56.146 56.287 0.314 0.000 0.943 316 K CB 1.089 33.776 32.500 0.311 0.000 0.950 316 K HN 0.145 nan 8.250 nan 0.000 0.485 317 K N 0.773 121.267 120.400 0.158 0.000 2.116 317 K HA -0.031 4.289 4.320 -0.000 0.000 0.203 317 K C 0.020 176.669 176.600 0.083 0.000 1.052 317 K CA 1.106 57.464 56.287 0.118 0.000 0.952 317 K CB 0.143 32.700 32.500 0.094 0.000 0.729 317 K HN 0.610 nan 8.250 nan 0.000 0.446 318 E N 0.395 120.630 120.200 0.060 0.000 2.212 318 E HA 0.100 4.450 4.350 -0.000 0.000 0.268 318 E C 0.049 176.685 176.600 0.059 0.000 0.902 318 E CA -0.452 55.978 56.400 0.050 0.000 0.779 318 E CB 1.761 31.479 29.700 0.030 0.000 1.172 318 E HN 0.002 nan 8.360 nan 0.000 0.409 319 E N 0.863 121.097 120.200 0.058 0.000 2.153 319 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 319 E C 0.096 176.734 176.600 0.064 0.000 0.988 319 E CA 0.956 57.393 56.400 0.061 0.000 0.811 319 E CB -0.052 29.680 29.700 0.053 0.000 0.746 319 E HN 0.429 nan 8.360 nan 0.000 0.466 320 D N 0.285 120.719 120.400 0.056 0.000 2.338 320 D HA 0.038 4.678 4.640 -0.000 0.000 0.255 320 D C 1.021 177.360 176.300 0.066 0.000 1.237 320 D CA 0.056 54.091 54.000 0.058 0.000 0.883 320 D CB 0.584 41.414 40.800 0.051 0.000 1.087 320 D HN -0.056 nan 8.370 nan 0.000 0.485 321 L N 3.286 124.561 121.223 0.087 0.000 2.131 321 L HA -0.003 4.337 4.340 -0.000 0.000 0.206 321 L C 2.237 179.167 176.870 0.100 0.000 1.087 321 L CA 0.865 55.775 54.840 0.117 0.000 0.767 321 L CB -0.184 41.951 42.059 0.127 0.000 0.917 321 L HN 0.492 nan 8.230 nan 0.000 0.441 322 A N 0.051 122.924 122.820 0.089 0.000 1.840 322 A HA -0.053 4.266 4.320 -0.000 0.000 0.214 322 A C 0.971 178.621 177.584 0.111 0.000 1.198 322 A CA 0.994 53.090 52.037 0.098 0.000 0.608 322 A CB -0.238 18.812 19.000 0.082 0.000 0.839 322 A HN 0.416 nan 8.150 nan 0.000 0.443 323 N N 0.533 119.286 118.700 0.089 0.000 3.044 323 N HA 0.303 5.043 4.740 -0.000 0.000 0.254 323 N C -1.100 174.454 175.510 0.073 0.000 1.253 323 N CA 0.236 53.342 53.050 0.094 0.000 0.944 323 N CB 1.032 39.566 38.487 0.079 0.000 1.217 323 N HN 0.211 nan 8.380 nan 0.000 0.498 324 S N 0.802 116.540 115.700 0.063 0.000 2.706 324 S HA 0.157 4.626 4.470 -0.000 0.000 0.270 324 S C 0.506 175.121 174.600 0.025 0.000 1.163 324 S CA -0.523 57.697 58.200 0.034 0.000 1.042 324 S CB 1.011 64.212 63.200 0.001 0.000 1.079 324 S HN 0.148 nan 8.310 nan 0.000 0.474 325 E N 3.048 123.291 120.200 0.072 0.000 2.208 325 E HA -0.038 4.311 4.350 -0.000 0.000 0.193 325 E C 2.014 178.664 176.600 0.082 0.000 0.988 325 E CA 0.857 57.333 56.400 0.126 0.000 0.828 325 E CB -0.120 29.674 29.700 0.158 0.000 0.763 325 E HN 0.560 nan 8.360 nan 0.000 0.478 326 V N 2.285 122.220 119.914 0.035 0.000 2.343 326 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 326 V C 1.928 177.965 176.094 -0.094 0.000 1.051 326 V CA 1.657 63.968 62.300 0.019 0.000 1.036 326 V CB -0.449 31.387 31.823 0.021 0.000 0.654 326 V HN 0.200 nan 8.190 nan 0.000 0.451 327 N N 0.515 119.084 118.700 -0.217 0.000 2.135 327 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 327 N C 1.702 176.762 175.510 -0.750 0.000 1.027 327 N CA 1.217 53.906 53.050 -0.603 0.000 0.849 327 N CB -0.604 37.569 38.487 -0.523 0.000 1.002 327 N HN 0.419 nan 8.380 nan 0.000 0.425 328 N N 1.288 119.740 118.700 -0.412 0.000 2.061 328 N HA -0.114 4.625 4.740 -0.000 0.000 0.193 328 N C 1.603 176.787 175.510 -0.543 0.000 1.030 328 N CA 1.373 54.146 53.050 -0.462 0.000 0.856 328 N CB -0.503 37.776 38.487 -0.346 0.000 1.023 328 N HN 0.253 nan 8.380 nan 0.000 0.424 329 A N 0.701 123.369 122.820 -0.254 0.000 1.898 329 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 329 A C 2.066 179.801 177.584 0.253 0.000 1.181 329 A CA 1.807 53.889 52.037 0.074 0.000 0.620 329 A CB -0.748 18.523 19.000 0.452 0.000 0.819 329 A HN 0.266 nan 8.150 nan 0.000 0.442 330 D N -0.925 119.536 120.400 0.101 0.000 2.092 330 D HA -0.159 4.481 4.640 -0.000 0.000 0.193 330 D C 1.633 178.123 176.300 0.316 0.000 0.994 330 D CA 1.502 55.624 54.000 0.204 0.000 0.828 330 D CB -0.285 40.533 40.800 0.030 0.000 0.963 330 D HN 0.314 nan 8.370 nan 0.000 0.450 331 F N 0.957 121.006 119.950 0.165 0.000 2.146 331 F HA 0.103 4.630 4.527 -0.000 0.000 0.298 331 F C 2.575 178.530 175.800 0.258 0.000 1.096 331 F CA 0.738 58.876 58.000 0.229 0.000 1.275 331 F CB -1.463 37.615 39.000 0.131 0.000 1.008 331 F HN 0.011 nan 8.300 nan 0.000 0.480 332 A N -0.014 122.962 122.820 0.260 0.000 1.908 332 A HA -0.224 4.095 4.320 -0.000 0.000 0.218 332 A C 2.322 180.192 177.584 0.477 0.000 1.181 332 A CA 2.007 54.182 52.037 0.231 0.000 0.627 332 A CB -0.642 18.229 19.000 -0.214 0.000 0.818 332 A HN 0.241 nan 8.150 nan 0.000 0.445 333 R N -0.440 120.372 120.500 0.520 0.000 2.057 333 R HA -0.033 4.307 4.340 -0.000 0.000 0.229 333 R C 1.954 178.306 176.300 0.087 0.000 1.136 333 R CA 1.627 57.977 56.100 0.417 0.000 0.952 333 R CB -1.066 29.426 30.300 0.321 0.000 0.848 333 R HN 0.407 nan 8.270 nan 0.000 0.430 334 L N -0.060 121.095 121.223 -0.114 0.000 1.990 334 L HA -0.109 4.231 4.340 -0.000 0.000 0.213 334 L C 1.959 178.590 176.870 -0.399 0.000 1.072 334 L CA 1.919 56.422 54.840 -0.563 0.000 0.755 334 L CB -0.764 40.941 42.059 -0.590 0.000 0.889 334 L HN 0.231 nan 8.230 nan 0.000 0.432 335 F N -0.344 119.491 119.950 -0.192 0.000 2.234 335 F HA -0.116 4.410 4.527 -0.001 0.000 0.299 335 F C 2.426 178.053 175.800 -0.288 0.000 1.087 335 F CA 1.170 58.958 58.000 -0.353 0.000 1.340 335 F CB -0.929 37.688 39.000 -0.638 0.000 1.031 335 F HN 0.228 nan 8.300 nan 0.000 0.500 336 A N 0.156 123.012 122.820 0.060 0.000 1.873 336 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 336 A C 2.232 179.764 177.584 -0.085 0.000 1.186 336 A CA 1.235 53.285 52.037 0.022 0.000 0.616 336 A CB -1.003 18.005 19.000 0.013 0.000 0.823 336 A HN 0.340 nan 8.150 nan 0.000 0.442 337 L N -0.583 120.574 121.223 -0.109 0.000 1.989 337 L HA -0.192 4.147 4.340 -0.000 0.000 0.211 337 L C 2.605 179.408 176.870 -0.112 0.000 1.071 337 L CA 1.426 56.213 54.840 -0.089 0.000 0.749 337 L CB -0.652 41.365 42.059 -0.069 0.000 0.890 337 L HN 0.256 nan 8.230 nan 0.000 0.431 338 V N -0.216 119.575 119.914 -0.205 0.000 2.255 338 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 338 V C 2.066 178.049 176.094 -0.185 0.000 1.051 338 V CA 2.077 64.232 62.300 -0.242 0.000 1.018 338 V CB -0.500 31.093 31.823 -0.383 0.000 0.641 338 V HN 0.452 nan 8.190 nan 0.000 0.445 339 D N -0.468 119.842 120.400 -0.149 0.000 2.219 339 D HA -0.085 4.555 4.640 -0.000 0.000 0.205 339 D C 2.062 178.319 176.300 -0.072 0.000 0.970 339 D CA 0.866 54.814 54.000 -0.087 0.000 0.851 339 D CB -0.013 40.785 40.800 -0.003 0.000 0.943 339 D HN 0.317 nan 8.370 nan 0.000 0.488 340 V N 1.135 121.020 119.914 -0.049 0.000 2.379 340 V HA -0.150 3.969 4.120 -0.000 0.000 0.245 340 V C 2.506 178.580 176.094 -0.034 0.000 1.044 340 V CA 1.556 63.849 62.300 -0.011 0.000 1.036 340 V CB -0.572 31.274 31.823 0.038 0.000 0.664 340 V HN 0.155 nan 8.190 nan 0.000 0.453 341 A N -1.191 121.607 122.820 -0.036 0.000 1.933 341 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 341 A C 2.395 179.952 177.584 -0.045 0.000 1.175 341 A CA 2.129 54.145 52.037 -0.035 0.000 0.628 341 A CB -1.170 17.793 19.000 -0.063 0.000 0.814 341 A HN 0.588 nan 8.150 nan 0.000 0.444 342 C N -1.081 118.175 119.300 -0.074 0.000 2.446 342 C HA -0.074 4.386 4.460 -0.000 0.000 0.277 342 C C 3.012 178.025 174.990 0.038 0.000 1.275 342 C CA 1.900 60.905 59.018 -0.021 0.000 1.727 342 C CB -1.459 26.203 27.740 -0.131 0.000 2.010 342 C HN 0.632 nan 8.230 nan 0.000 0.486 343 T N 0.511 114.999 114.554 -0.110 0.000 2.652 343 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 343 T C 1.328 175.939 174.700 -0.149 0.000 1.039 343 T CA 2.039 63.996 62.100 -0.239 0.000 1.153 343 T CB -0.432 68.025 68.868 -0.685 0.000 0.863 343 T HN 0.555 nan 8.240 nan 0.000 0.428 344 D N 1.025 121.372 120.400 -0.089 0.000 2.178 344 D HA 0.069 4.709 4.640 -0.000 0.000 0.202 344 D C 2.297 178.690 176.300 0.154 0.000 0.974 344 D CA 0.923 54.961 54.000 0.064 0.000 0.841 344 D CB -0.377 40.530 40.800 0.178 0.000 0.953 344 D HN 0.393 nan 8.370 nan 0.000 0.478 345 A N 0.796 123.670 122.820 0.091 0.000 1.902 345 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 345 A C 2.365 179.944 177.584 -0.008 0.000 1.181 345 A CA 1.988 54.051 52.037 0.042 0.000 0.623 345 A CB -0.994 18.023 19.000 0.028 0.000 0.818 345 A HN 0.298 nan 8.150 nan 0.000 0.443 346 G N 0.028 108.878 108.800 0.082 0.000 2.418 346 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 346 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 346 G C 1.536 176.519 174.900 0.139 0.000 1.158 346 G CA 1.080 46.211 45.100 0.051 0.000 0.771 346 G HN 0.467 nan 8.290 nan 0.000 0.545 347 I N -0.251 120.366 120.570 0.078 0.000 2.127 347 I HA -0.166 4.004 4.170 -0.000 0.000 0.241 347 I C 2.451 178.456 176.117 -0.186 0.000 1.075 347 I CA 1.166 62.408 61.300 -0.097 0.000 1.334 347 I CB -0.267 37.490 38.000 -0.405 0.000 1.040 347 I HN 0.082 nan 8.210 nan 0.000 0.405 348 F N 0.857 120.827 119.950 0.033 0.000 2.325 348 F HA -0.161 4.366 4.527 -0.001 0.000 0.299 348 F C 2.877 178.677 175.800 0.001 0.000 1.090 348 F CA 1.338 59.336 58.000 -0.003 0.000 1.392 348 F CB -0.728 38.241 39.000 -0.052 0.000 1.053 348 F HN 0.124 nan 8.300 nan 0.000 0.521 349 S N -0.901 114.880 115.700 0.135 0.000 2.371 349 S HA -0.201 4.268 4.470 -0.000 0.000 0.224 349 S C 2.039 176.657 174.600 0.030 0.000 1.029 349 S CA 0.579 58.789 58.200 0.016 0.000 0.978 349 S CB -1.080 62.059 63.200 -0.101 0.000 0.833 349 S HN 0.498 nan 8.310 nan 0.000 0.466 350 W N 2.395 123.661 121.300 -0.057 0.000 2.388 350 W HA 0.022 4.682 4.660 -0.000 0.000 0.294 350 W C 2.535 179.148 176.519 0.157 0.000 1.212 350 W CA 1.333 58.715 57.345 0.063 0.000 1.271 350 W CB -0.153 29.398 29.460 0.150 0.000 1.126 350 W HN 0.438 nan 8.180 nan 0.000 0.535 351 K N 0.743 121.270 120.400 0.211 0.000 2.026 351 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 351 K C 1.713 178.378 176.600 0.108 0.000 1.048 351 K CA 1.652 58.011 56.287 0.120 0.000 0.929 351 K CB -0.164 32.336 32.500 -0.001 0.000 0.713 351 K HN -0.126 nan 8.250 nan 0.000 0.439 352 E N 0.912 121.175 120.200 0.104 0.000 2.152 352 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 352 E C 1.921 178.629 176.600 0.180 0.000 0.983 352 E CA 0.934 57.428 56.400 0.156 0.000 0.818 352 E CB 0.014 29.858 29.700 0.239 0.000 0.758 352 E HN 0.352 nan 8.360 nan 0.000 0.467 353 K N -0.109 120.270 120.400 -0.035 0.000 1.991 353 K HA -0.170 4.150 4.320 -0.000 0.000 0.212 353 K C 1.936 178.391 176.600 -0.242 0.000 1.049 353 K CA 1.640 57.777 56.287 -0.251 0.000 0.932 353 K CB -0.272 31.757 32.500 -0.785 0.000 0.717 353 K HN 0.182 nan 8.250 nan 0.000 0.441 354 W N 0.958 122.181 121.300 -0.129 0.000 2.937 354 W HA -0.044 4.616 4.660 -0.001 0.000 0.245 354 W C 2.060 178.564 176.519 -0.026 0.000 1.306 354 W CA 0.143 57.427 57.345 -0.102 0.000 1.470 354 W CB 0.094 29.451 29.460 -0.171 0.000 1.132 354 W HN 0.244 nan 8.180 nan 0.000 0.675 355 E N 0.359 120.625 120.200 0.109 0.000 2.033 355 E HA -0.137 4.213 4.350 -0.000 0.000 0.189 355 E C 1.531 178.049 176.600 -0.136 0.000 0.979 355 E CA 1.548 57.890 56.400 -0.098 0.000 0.802 355 E CB -0.714 28.771 29.700 -0.359 0.000 0.763 355 E HN 0.226 nan 8.360 nan 0.000 0.449 356 F N 0.834 120.871 119.950 0.145 0.000 2.335 356 F HA 0.254 4.781 4.527 -0.000 0.000 0.296 356 F C 0.742 176.653 175.800 0.185 0.000 1.091 356 F CA 0.992 59.081 58.000 0.148 0.000 1.399 356 F CB -0.139 38.959 39.000 0.163 0.000 1.067 356 F HN -0.012 nan 8.300 nan 0.000 0.520 357 E N -0.315 120.077 120.200 0.321 0.000 2.440 357 E HA -0.282 4.068 4.350 -0.000 0.000 0.246 357 E C -0.170 176.645 176.600 0.359 0.000 1.165 357 E CA -0.136 56.412 56.400 0.246 0.000 0.726 357 E CB -1.713 28.177 29.700 0.317 0.000 1.271 357 E HN 0.252 nan 8.360 nan 0.000 0.397 358 F N 1.433 121.536 119.950 0.255 0.000 2.518 358 F HA 0.128 4.655 4.527 -0.001 0.000 0.359 358 F C 0.869 176.993 175.800 0.539 0.000 1.118 358 F CA -0.320 57.867 58.000 0.312 0.000 1.287 358 F CB 0.396 39.574 39.000 0.297 0.000 1.132 358 F HN 0.091 nan 8.300 nan 0.000 0.587 359 W N 5.277 126.588 121.300 0.018 0.000 2.184 359 W HA 0.642 5.302 4.660 0.000 0.000 0.338 359 W C -0.787 176.032 176.519 0.499 0.000 1.257 359 W CA -2.204 55.289 57.345 0.248 0.000 1.243 359 W CB -1.023 28.508 29.460 0.119 0.000 1.122 359 W HN 0.783 nan 8.180 nan 0.000 0.585 360 A N 3.711 126.843 122.820 0.521 0.000 2.386 360 A HA 0.370 4.690 4.320 -0.000 0.000 0.248 360 A C -1.354 176.169 177.584 -0.103 0.000 1.082 360 A CA -1.040 51.122 52.037 0.208 0.000 0.789 360 A CB -0.206 18.823 19.000 0.049 0.000 1.025 360 A HN 0.552 nan 8.150 nan 0.000 0.490 361 P HA -0.172 nan 4.420 nan 0.000 0.217 361 P C 1.565 178.686 177.300 -0.298 0.000 1.148 361 P CA 0.817 63.337 63.100 -0.966 0.000 0.828 361 P CB 0.078 31.193 31.700 -0.976 0.000 0.783 362 L N -0.610 120.558 121.223 -0.092 0.000 1.989 362 L HA -0.171 4.168 4.340 -0.000 0.000 0.211 362 L C 2.137 178.958 176.870 -0.081 0.000 1.071 362 L CA 2.141 57.009 54.840 0.047 0.000 0.749 362 L CB -1.373 40.642 42.059 -0.074 0.000 0.890 362 L HN -0.126 nan 8.230 nan 0.000 0.431 363 S N -0.322 115.247 115.700 -0.218 0.000 2.368 363 S HA -0.051 4.418 4.470 -0.000 0.000 0.224 363 S C 1.905 176.004 174.600 -0.835 0.000 1.029 363 S CA 0.913 58.894 58.200 -0.364 0.000 0.988 363 S CB -0.972 62.097 63.200 -0.218 0.000 0.838 363 S HN 0.691 nan 8.310 nan 0.000 0.462 364 G N 1.476 109.587 108.800 -1.149 0.000 2.440 364 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 364 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 364 G C 1.441 176.089 174.900 -0.420 0.000 1.154 364 G CA 1.138 45.490 45.100 -1.247 0.000 0.767 364 G HN 0.423 nan 8.290 nan 0.000 0.552 365 V N 0.444 120.183 119.914 -0.292 0.000 2.323 365 V HA -0.112 4.008 4.120 -0.000 0.000 0.244 365 V C 2.915 178.907 176.094 -0.171 0.000 1.041 365 V CA 1.872 64.023 62.300 -0.247 0.000 1.025 365 V CB -0.458 31.075 31.823 -0.485 0.000 0.656 365 V HN 0.290 nan 8.190 nan 0.000 0.451 366 R N 0.183 120.593 120.500 -0.150 0.000 2.066 366 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 366 R C 1.631 177.842 176.300 -0.148 0.000 1.131 366 R CA 1.623 57.641 56.100 -0.137 0.000 0.955 366 R CB -0.340 29.886 30.300 -0.123 0.000 0.851 366 R HN 0.477 nan 8.270 nan 0.000 0.432 367 D N 0.109 120.403 120.400 -0.177 0.000 2.319 367 D HA -0.049 4.590 4.640 -0.000 0.000 0.230 367 D C 0.822 177.135 176.300 0.023 0.000 1.094 367 D CA 0.411 54.369 54.000 -0.070 0.000 0.856 367 D CB -0.006 40.797 40.800 0.006 0.000 0.915 367 D HN 0.204 nan 8.370 nan 0.000 0.517 368 D N 0.411 120.807 120.400 -0.006 0.000 2.133 368 D HA -0.196 4.444 4.640 -0.000 0.000 0.192 368 D C 1.829 178.182 176.300 0.088 0.000 1.001 368 D CA 2.687 56.746 54.000 0.099 0.000 0.844 368 D CB 0.128 40.983 40.800 0.091 0.000 0.944 368 D HN 0.256 nan 8.370 nan 0.000 0.447 369 G N -0.646 108.184 108.800 0.049 0.000 2.336 369 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.233 369 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.233 369 G C 0.299 175.232 174.900 0.055 0.000 1.053 369 G CA 0.197 45.322 45.100 0.041 0.000 0.625 369 G HN 0.448 nan 8.290 nan 0.000 0.511 370 R N 1.528 122.080 120.500 0.087 0.000 2.248 370 R HA 0.393 4.733 4.340 -0.000 0.000 0.328 370 R C -1.449 174.919 176.300 0.114 0.000 1.067 370 R CA -1.416 54.757 56.100 0.122 0.000 0.924 370 R CB 1.069 31.490 30.300 0.201 0.000 1.013 370 R HN 0.141 nan 8.270 nan 0.000 0.454 371 P HA -0.235 nan 4.420 nan 0.000 0.217 371 P C 0.346 177.665 177.300 0.031 0.000 1.148 371 P CA 1.384 64.516 63.100 0.052 0.000 0.834 371 P CB 0.187 31.913 31.700 0.044 0.000 0.783 372 D N -3.595 116.817 120.400 0.020 0.000 2.340 372 D HA -0.049 4.591 4.640 -0.000 0.000 0.217 372 D C 1.207 177.352 176.300 -0.258 0.000 1.081 372 D CA 0.507 54.450 54.000 -0.095 0.000 0.842 372 D CB -0.621 40.107 40.800 -0.119 0.000 0.934 372 D HN 0.310 nan 8.370 nan 0.000 0.511 373 H N -0.409 118.667 119.070 0.009 0.000 2.573 373 H HA 0.274 4.830 4.556 -0.000 0.000 0.236 373 H C 1.241 176.549 175.328 -0.033 0.000 0.907 373 H CA 0.529 56.578 56.048 0.001 0.000 1.058 373 H CB 0.742 30.526 29.762 0.037 0.000 1.417 373 H HN 0.169 nan 8.280 nan 0.000 0.425 374 G N 0.265 109.122 108.800 0.095 0.000 2.543 374 G HA2 0.271 4.231 3.960 -0.000 0.000 0.290 374 G HA3 0.271 4.231 3.960 -0.000 0.000 0.290 374 G C -0.895 173.984 174.900 -0.035 0.000 1.310 374 G CA -0.099 45.000 45.100 -0.001 0.000 1.025 374 G HN 0.171 nan 8.290 nan 0.000 0.502 375 D N -0.829 119.534 120.400 -0.062 0.000 2.319 375 D HA 0.288 4.928 4.640 -0.000 0.000 0.237 375 D C -2.099 174.182 176.300 -0.032 0.000 1.353 375 D CA -1.475 52.525 54.000 0.000 0.000 0.992 375 D CB 1.874 42.675 40.800 0.002 0.000 1.368 375 D HN -0.054 nan 8.370 nan 0.000 0.564 376 P HA 0.023 nan 4.420 nan 0.000 0.226 376 P C 0.348 177.160 177.300 -0.813 0.000 1.146 376 P CA 0.864 63.642 63.100 -0.538 0.000 0.773 376 P CB -0.043 31.192 31.700 -0.775 0.000 0.772 377 F N -4.874 115.124 119.950 0.079 0.000 2.735 377 F HA 0.296 4.823 4.527 -0.000 0.000 0.308 377 F C 0.707 176.578 175.800 0.118 0.000 1.112 377 F CA -1.160 56.882 58.000 0.070 0.000 1.235 377 F CB -0.562 38.464 39.000 0.043 0.000 1.027 377 F HN -0.146 nan 8.300 nan 0.000 0.528 378 W N 2.864 124.173 121.300 0.015 0.000 2.148 378 W HA 0.500 5.160 4.660 -0.001 0.000 0.347 378 W C -0.954 175.545 176.519 -0.033 0.000 1.288 378 W CA -0.428 56.911 57.345 -0.011 0.000 1.252 378 W CB 0.457 29.881 29.460 -0.060 0.000 1.156 378 W HN -0.136 nan 8.180 nan 0.000 0.580 379 L N 4.801 125.631 121.223 -0.654 0.000 2.422 379 L HA 0.452 4.791 4.340 -0.000 0.000 0.264 379 L C 0.386 176.536 176.870 -1.199 0.000 0.984 379 L CA -1.034 53.396 54.840 -0.683 0.000 0.819 379 L CB 2.187 44.044 42.059 -0.336 0.000 1.330 379 L HN 0.498 nan 8.230 nan 0.000 0.410 380 T N -1.641 112.341 114.554 -0.954 0.000 2.936 380 T HA 0.333 4.683 4.350 -0.000 0.000 0.282 380 T C 0.621 175.061 174.700 -0.434 0.000 1.003 380 T CA -0.725 60.865 62.100 -0.850 0.000 1.005 380 T CB 1.604 70.056 68.868 -0.693 0.000 1.097 380 T HN 0.444 nan 8.240 nan 0.000 0.532 381 L N 1.488 122.531 121.223 -0.299 0.000 2.141 381 L HA 0.310 4.649 4.340 -0.000 0.000 0.209 381 L C 1.287 178.039 176.870 -0.195 0.000 1.094 381 L CA 2.257 56.985 54.840 -0.187 0.000 0.763 381 L CB -1.617 40.374 42.059 -0.114 0.000 0.908 381 L HN 1.398 nan 8.230 nan 0.000 0.437 382 G N -1.138 107.515 108.800 -0.245 0.000 2.880 382 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.617 382 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.617 382 G C -0.001 174.720 174.900 -0.299 0.000 1.493 382 G CA -0.331 44.602 45.100 -0.279 0.000 0.916 382 G HN 1.015 nan 8.290 nan 0.000 0.553 383 A N 2.216 124.751 122.820 -0.475 0.000 2.451 383 A HA 0.639 4.959 4.320 -0.000 0.000 0.266 383 A C -0.991 176.372 177.584 -0.368 0.000 1.119 383 A CA -0.305 51.413 52.037 -0.531 0.000 0.786 383 A CB 0.089 18.491 19.000 -0.997 0.000 1.061 383 A HN 0.823 nan 8.150 nan 0.000 0.503 384 P HA 0.121 nan 4.420 nan 0.000 0.267 384 P C -0.207 177.102 177.300 0.015 0.000 1.205 384 P CA 0.313 63.364 63.100 -0.083 0.000 0.765 384 P CB 0.900 32.542 31.700 -0.095 0.000 0.828 385 A N 3.690 126.551 122.820 0.068 0.000 3.126 385 A HA 0.288 4.607 4.320 -0.000 0.000 0.268 385 A C 0.583 178.167 177.584 -0.001 0.000 1.605 385 A CA -0.266 51.833 52.037 0.103 0.000 1.305 385 A CB -0.933 18.136 19.000 0.114 0.000 1.160 385 A HN 0.446 nan 8.150 nan 0.000 0.609 386 T N 1.996 116.521 114.554 -0.049 0.000 2.930 386 T HA 0.148 4.498 4.350 -0.000 0.000 0.306 386 T C 0.599 175.224 174.700 -0.126 0.000 1.045 386 T CA 0.183 62.221 62.100 -0.105 0.000 1.134 386 T CB 0.076 68.843 68.868 -0.169 0.000 0.961 386 T HN 0.684 nan 8.240 nan 0.000 0.545 387 N N 0.508 119.139 118.700 -0.116 0.000 2.740 387 N HA -0.148 4.592 4.740 -0.000 0.000 0.248 387 N C -0.209 175.248 175.510 -0.088 0.000 1.062 387 N CA 1.359 54.332 53.050 -0.130 0.000 0.704 387 N CB -1.256 37.070 38.487 -0.268 0.000 0.968 387 N HN 0.798 nan 8.380 nan 0.000 0.547 388 T N -0.966 113.572 114.554 -0.026 0.000 2.739 388 T HA 0.404 4.753 4.350 -0.000 0.000 0.303 388 T C -0.022 174.690 174.700 0.019 0.000 1.389 388 T CA -0.295 61.814 62.100 0.015 0.000 1.001 388 T CB 0.664 69.525 68.868 -0.012 0.000 1.436 388 T HN 0.180 nan 8.240 nan 0.000 0.500 389 N N 0.941 119.658 118.700 0.027 0.000 2.214 389 N HA 0.182 4.922 4.740 -0.000 0.000 0.214 389 N C -0.215 175.309 175.510 0.024 0.000 1.132 389 N CA -0.296 52.766 53.050 0.021 0.000 0.856 389 N CB -0.028 38.471 38.487 0.020 0.000 1.020 389 N HN 0.579 nan 8.380 nan 0.000 0.509 390 D N 1.080 121.497 120.400 0.029 0.000 2.358 390 D HA 0.246 4.886 4.640 -0.000 0.000 0.244 390 D C 0.563 176.909 176.300 0.076 0.000 1.163 390 D CA -0.600 53.431 54.000 0.052 0.000 0.945 390 D CB 1.057 41.879 40.800 0.036 0.000 1.152 390 D HN 0.301 nan 8.370 nan 0.000 0.451 391 I N -1.298 119.345 120.570 0.122 0.000 2.886 391 I HA 0.509 4.679 4.170 -0.000 0.000 0.299 391 I C -2.289 173.956 176.117 0.212 0.000 1.044 391 I CA -2.065 59.309 61.300 0.124 0.000 1.310 391 I CB 0.617 38.669 38.000 0.086 0.000 1.441 391 I HN 0.200 nan 8.210 nan 0.000 0.578 392 P HA 0.156 nan 4.420 nan 0.000 0.268 392 P C -1.115 176.329 177.300 0.239 0.000 1.208 392 P CA 0.271 63.438 63.100 0.112 0.000 0.777 392 P CB 0.270 31.945 31.700 -0.042 0.000 0.875 393 F N -0.661 119.243 119.950 -0.076 0.000 2.849 393 F HA 0.790 5.316 4.527 -0.001 0.000 0.341 393 F C -0.860 174.853 175.800 -0.144 0.000 1.185 393 F CA -1.314 56.615 58.000 -0.119 0.000 1.007 393 F CB 1.063 39.782 39.000 -0.468 0.000 1.454 393 F HN -0.081 nan 8.300 nan 0.000 0.518 394 K N 1.622 121.954 120.400 -0.112 0.000 2.450 394 K HA 0.489 4.809 4.320 -0.000 0.000 0.257 394 K C -3.102 173.433 176.600 -0.108 0.000 0.953 394 K CA -2.289 53.839 56.287 -0.264 0.000 0.844 394 K CB 1.717 34.125 32.500 -0.153 0.000 1.103 394 K HN 0.362 nan 8.250 nan 0.000 0.429 395 P HA -0.047 nan 4.420 nan 0.000 0.263 395 P C -2.392 174.558 177.300 -0.583 0.000 1.175 395 P CA -0.599 62.327 63.100 -0.289 0.000 0.761 395 P CB 0.073 31.448 31.700 -0.542 0.000 0.794 396 P HA 0.033 nan 4.420 nan 0.000 0.235 396 P C -1.041 176.428 177.300 0.282 0.000 1.720 396 P CA 0.554 63.731 63.100 0.130 0.000 1.003 396 P CB -0.915 30.925 31.700 0.234 0.000 1.968 397 F N -1.934 118.057 119.950 0.069 0.000 2.744 397 F HA 0.625 5.151 4.527 -0.001 0.000 0.311 397 F C -3.170 172.033 175.800 -0.993 0.000 1.144 397 F CA -3.513 54.078 58.000 -0.682 0.000 0.938 397 F CB -0.141 38.661 39.000 -0.330 0.000 1.292 397 F HN -0.273 nan 8.300 nan 0.000 0.444 398 P HA 0.217 nan 4.420 nan 0.000 0.270 398 P C 0.026 177.306 177.300 -0.035 0.000 1.221 398 P CA 0.866 63.610 63.100 -0.595 0.000 0.788 398 P CB 0.843 32.127 31.700 -0.693 0.000 0.904 399 A N 1.489 124.492 122.820 0.306 0.000 1.903 399 A HA -0.060 4.260 4.320 -0.000 0.000 0.213 399 A C 0.571 178.440 177.584 0.474 0.000 1.185 399 A CA 1.089 53.440 52.037 0.523 0.000 0.628 399 A CB -1.013 18.446 19.000 0.764 0.000 0.830 399 A HN 0.590 nan 8.150 nan 0.000 0.446 400 Y N 2.475 122.960 120.300 0.309 0.000 2.383 400 Y HA 0.440 4.990 4.550 -0.000 0.000 0.344 400 Y C -2.491 173.423 175.900 0.023 0.000 0.986 400 Y CA -2.664 55.504 58.100 0.114 0.000 1.175 400 Y CB 1.215 39.650 38.460 -0.041 0.000 1.152 400 Y HN 0.175 nan 8.280 nan 0.000 0.511 401 P HA 0.149 nan 4.420 nan 0.000 0.289 401 P C -1.034 176.039 177.300 -0.379 0.000 1.300 401 P CA -0.755 62.014 63.100 -0.552 0.000 0.828 401 P CB 1.627 32.923 31.700 -0.674 0.000 1.235 402 S N -0.844 114.576 115.700 -0.467 0.000 2.488 402 S HA 0.259 4.729 4.470 -0.000 0.000 0.278 402 S C 1.796 176.199 174.600 -0.329 0.000 1.259 402 S CA 0.152 57.960 58.200 -0.653 0.000 1.061 402 S CB -0.853 61.922 63.200 -0.708 0.000 0.910 402 S HN 0.558 nan 8.310 nan 0.000 0.491 403 G N 3.561 112.261 108.800 -0.166 0.000 2.418 403 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 403 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 403 G C 1.158 175.993 174.900 -0.108 0.000 1.158 403 G CA 0.887 45.896 45.100 -0.151 0.000 0.771 403 G HN 0.871 nan 8.290 nan 0.000 0.545 404 H N 0.750 119.892 119.070 0.120 0.000 2.319 404 H HA 0.067 4.622 4.556 -0.001 0.000 0.299 404 H C 2.876 178.239 175.328 0.058 0.000 1.092 404 H CA 1.753 57.975 56.048 0.291 0.000 1.302 404 H CB -0.183 29.726 29.762 0.245 0.000 1.373 404 H HN 0.374 nan 8.280 nan 0.000 0.497 405 A N -0.442 122.379 122.820 0.002 0.000 1.902 405 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 405 A C 2.431 179.887 177.584 -0.215 0.000 1.181 405 A CA 2.204 54.145 52.037 -0.160 0.000 0.623 405 A CB -0.912 17.950 19.000 -0.230 0.000 0.818 405 A HN 0.482 nan 8.150 nan 0.000 0.443 406 T N -0.461 113.949 114.554 -0.241 0.000 2.737 406 T HA -0.070 4.280 4.350 -0.000 0.000 0.265 406 T C 1.571 176.142 174.700 -0.216 0.000 1.038 406 T CA 1.449 63.390 62.100 -0.265 0.000 1.144 406 T CB -0.432 68.252 68.868 -0.306 0.000 0.866 406 T HN 0.328 nan 8.240 nan 0.000 0.434 407 F N 1.905 121.743 119.950 -0.187 0.000 2.065 407 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 407 F C 2.773 178.206 175.800 -0.611 0.000 1.112 407 F CA 1.011 58.828 58.000 -0.304 0.000 1.212 407 F CB -1.431 37.474 39.000 -0.158 0.000 0.975 407 F HN 0.241 nan 8.300 nan 0.000 0.476 408 G N -0.617 107.907 108.800 -0.461 0.000 2.440 408 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 408 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 408 G C 2.066 176.745 174.900 -0.367 0.000 1.154 408 G CA 0.948 45.680 45.100 -0.614 0.000 0.767 408 G HN 0.576 nan 8.290 nan 0.000 0.552 409 G N 1.093 109.727 108.800 -0.277 0.000 2.446 409 G HA2 0.014 3.974 3.960 -0.000 0.000 0.217 409 G HA3 0.014 3.974 3.960 -0.000 0.000 0.217 409 G C 2.046 176.827 174.900 -0.199 0.000 1.168 409 G CA 1.697 46.657 45.100 -0.233 0.000 0.771 409 G HN 0.671 nan 8.290 nan 0.000 0.551 410 A N 0.070 122.756 122.820 -0.224 0.000 1.841 410 A HA 0.100 4.420 4.320 -0.000 0.000 0.214 410 A C 2.628 180.063 177.584 -0.248 0.000 1.195 410 A CA 1.890 53.813 52.037 -0.189 0.000 0.611 410 A CB -0.857 18.056 19.000 -0.145 0.000 0.835 410 A HN 0.260 nan 8.150 nan 0.000 0.443 411 V N -0.874 118.783 119.914 -0.428 0.000 2.252 411 V HA -0.278 3.842 4.120 -0.000 0.000 0.249 411 V C 2.351 178.125 176.094 -0.532 0.000 1.056 411 V CA 2.336 64.277 62.300 -0.599 0.000 1.022 411 V CB -1.040 30.171 31.823 -1.020 0.000 0.641 411 V HN 0.558 nan 8.190 nan 0.000 0.445 412 F N -0.256 119.577 119.950 -0.194 0.000 2.456 412 F HA -0.017 4.510 4.527 -0.000 0.000 0.298 412 F C 2.361 178.132 175.800 -0.048 0.000 1.104 412 F CA 1.063 58.988 58.000 -0.126 0.000 1.435 412 F CB -0.711 38.196 39.000 -0.154 0.000 1.078 412 F HN 0.182 nan 8.300 nan 0.000 0.546 413 Q N 0.188 120.026 119.800 0.063 0.000 2.137 413 Q HA -0.127 4.213 4.340 -0.000 0.000 0.198 413 Q C 2.104 178.110 176.000 0.009 0.000 0.960 413 Q CA 1.307 57.157 55.803 0.078 0.000 0.847 413 Q CB -0.340 28.424 28.738 0.043 0.000 0.915 413 Q HN 0.288 nan 8.270 nan 0.000 0.448 414 M N -0.799 118.770 119.600 -0.052 0.000 2.117 414 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 414 M C 1.736 178.004 176.300 -0.053 0.000 1.065 414 M CA 1.365 56.611 55.300 -0.091 0.000 1.114 414 M CB -0.506 32.034 32.600 -0.101 0.000 1.361 414 M HN 0.122 nan 8.290 nan 0.000 0.408 415 V N 0.029 119.959 119.914 0.026 0.000 2.343 415 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 415 V C 2.416 178.701 176.094 0.318 0.000 1.051 415 V CA 2.024 64.436 62.300 0.185 0.000 1.036 415 V CB -0.665 31.295 31.823 0.227 0.000 0.654 415 V HN 0.468 nan 8.190 nan 0.000 0.451 416 R N -0.581 120.061 120.500 0.237 0.000 2.075 416 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 416 R C 2.581 179.087 176.300 0.345 0.000 1.126 416 R CA 1.143 57.462 56.100 0.364 0.000 0.963 416 R CB -0.309 30.144 30.300 0.256 0.000 0.858 416 R HN 0.345 nan 8.270 nan 0.000 0.435 417 R N -0.261 120.229 120.500 -0.017 0.000 2.081 417 R HA -0.157 4.182 4.340 -0.000 0.000 0.235 417 R C 2.049 178.089 176.300 -0.435 0.000 1.131 417 R CA 1.406 57.251 56.100 -0.426 0.000 0.960 417 R CB -0.819 28.818 30.300 -1.106 0.000 0.856 417 R HN 0.356 nan 8.270 nan 0.000 0.436 418 Y N -0.110 119.949 120.300 -0.401 0.000 2.242 418 Y HA -0.209 4.340 4.550 -0.000 0.000 0.291 418 Y C 1.306 177.057 175.900 -0.248 0.000 1.137 418 Y CA 1.482 59.434 58.100 -0.248 0.000 1.181 418 Y CB -0.033 38.259 38.460 -0.280 0.000 0.989 418 Y HN -0.013 nan 8.280 nan 0.000 0.527 419 Y N -0.780 119.622 120.300 0.171 0.000 2.457 419 Y HA 0.121 4.671 4.550 -0.000 0.000 0.263 419 Y C 0.697 176.563 175.900 -0.058 0.000 1.164 419 Y CA -0.342 57.824 58.100 0.110 0.000 1.274 419 Y CB -0.367 38.216 38.460 0.206 0.000 1.097 419 Y HN -0.048 nan 8.280 nan 0.000 0.523 420 N N 0.943 119.556 118.700 -0.146 0.000 2.447 420 N HA 0.120 4.860 4.740 -0.000 0.000 0.263 420 N C 1.206 176.402 175.510 -0.523 0.000 1.226 420 N CA 1.584 54.116 53.050 -0.863 0.000 0.906 420 N CB 0.680 38.630 38.487 -0.896 0.000 1.060 420 N HN 0.565 nan 8.380 nan 0.000 0.468 421 G N 3.141 111.616 108.800 -0.542 0.000 2.225 421 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.254 421 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.254 421 G C 1.038 175.858 174.900 -0.133 0.000 0.988 421 G CA 0.637 45.572 45.100 -0.274 0.000 0.625 421 G HN 0.661 nan 8.290 nan 0.000 0.527 422 R N -0.489 119.960 120.500 -0.085 0.000 2.164 422 R HA 0.439 4.778 4.340 -0.000 0.000 0.198 422 R C 2.160 178.513 176.300 0.088 0.000 1.028 422 R CA 1.201 57.322 56.100 0.034 0.000 1.083 422 R CB 0.170 30.522 30.300 0.088 0.000 1.026 422 R HN 0.338 nan 8.270 nan 0.000 0.514 423 V N -0.199 119.773 119.914 0.097 0.000 3.431 423 V HA 0.378 4.498 4.120 -0.000 0.000 0.253 423 V C 0.772 176.950 176.094 0.140 0.000 1.184 423 V CA 0.914 63.247 62.300 0.055 0.000 1.104 423 V CB 1.008 32.729 31.823 -0.170 0.000 0.799 423 V HN 0.579 nan 8.190 nan 0.000 0.462 424 G N -0.121 108.776 108.800 0.162 0.000 2.325 424 G HA2 0.472 4.432 3.960 -0.000 0.000 0.295 424 G HA3 0.472 4.432 3.960 -0.000 0.000 0.295 424 G C -0.922 173.949 174.900 -0.048 0.000 1.274 424 G CA 0.235 45.444 45.100 0.182 0.000 0.857 424 G HN 0.157 nan 8.290 nan 0.000 0.499 425 T N -2.058 112.510 114.554 0.024 0.000 2.881 425 T HA 0.749 5.099 4.350 -0.000 0.000 0.290 425 T C -0.999 173.717 174.700 0.028 0.000 1.000 425 T CA -0.423 61.548 62.100 -0.215 0.000 0.978 425 T CB 1.549 70.333 68.868 -0.141 0.000 0.997 425 T HN 1.806 nan 8.240 nan 0.000 0.443 426 W N 0.412 121.671 121.300 -0.069 0.000 3.066 426 W HA 0.677 5.337 4.660 -0.001 0.000 0.330 426 W C -1.377 175.083 176.519 -0.098 0.000 1.253 426 W CA -1.291 55.995 57.345 -0.100 0.000 1.187 426 W CB 0.930 30.305 29.460 -0.142 0.000 1.434 426 W HN 0.507 nan 8.180 nan 0.000 0.572 427 K N 1.740 122.212 120.400 0.120 0.000 2.326 427 K HA 0.018 4.337 4.320 -0.000 0.000 0.275 427 K C 0.466 177.149 176.600 0.139 0.000 1.018 427 K CA -0.222 56.092 56.287 0.044 0.000 0.962 427 K CB 0.913 33.419 32.500 0.011 0.000 0.953 427 K HN 0.527 nan 8.250 nan 0.000 0.475 428 D N 1.731 122.183 120.400 0.086 0.000 2.389 428 D HA -0.153 4.487 4.640 -0.000 0.000 0.221 428 D C 0.740 177.106 176.300 0.109 0.000 0.974 428 D CA 1.288 55.371 54.000 0.138 0.000 0.923 428 D CB 0.174 41.018 40.800 0.073 0.000 0.892 428 D HN 0.575 nan 8.370 nan 0.000 0.518 429 D N -0.609 119.812 120.400 0.034 0.000 2.513 429 D HA 0.046 4.686 4.640 -0.000 0.000 0.222 429 D C 0.211 176.356 176.300 -0.258 0.000 1.210 429 D CA -0.098 53.906 54.000 0.008 0.000 0.825 429 D CB 0.375 41.225 40.800 0.085 0.000 1.037 429 D HN 0.096 nan 8.370 nan 0.000 0.506 430 E N 1.347 121.301 120.200 -0.411 0.000 2.299 430 E HA 0.369 4.718 4.350 -0.000 0.000 0.265 430 E C -2.632 173.341 176.600 -1.044 0.000 0.911 430 E CA -2.362 53.653 56.400 -0.642 0.000 0.789 430 E CB 2.114 31.651 29.700 -0.272 0.000 1.246 430 E HN -0.049 nan 8.360 nan 0.000 0.427 431 P HA -0.111 nan 4.420 nan 0.000 0.264 431 P C -0.832 176.032 177.300 -0.726 0.000 1.183 431 P CA 0.526 62.983 63.100 -1.071 0.000 0.763 431 P CB 0.675 31.999 31.700 -0.626 0.000 0.807 432 D N 2.611 122.488 120.400 -0.871 0.000 2.539 432 D HA 0.101 4.740 4.640 -0.000 0.000 0.280 432 D C 0.384 176.313 176.300 -0.618 0.000 1.208 432 D CA -0.423 52.816 54.000 -1.267 0.000 1.088 432 D CB 0.495 40.049 40.800 -2.076 0.000 1.149 432 D HN 0.365 nan 8.370 nan 0.000 0.596 433 N N -0.577 117.788 118.700 -0.558 0.000 2.377 433 N HA 0.104 4.844 4.740 -0.000 0.000 0.259 433 N C -0.557 174.857 175.510 -0.159 0.000 1.332 433 N CA -0.364 52.568 53.050 -0.196 0.000 0.877 433 N CB -0.227 38.248 38.487 -0.019 0.000 1.299 433 N HN 0.365 nan 8.380 nan 0.000 0.501 434 I N 1.582 121.984 120.570 -0.279 0.000 2.278 434 I HA 0.254 4.423 4.170 -0.000 0.000 0.300 434 I C 0.645 176.743 176.117 -0.031 0.000 1.174 434 I CA -0.411 60.749 61.300 -0.234 0.000 1.347 434 I CB 0.028 37.854 38.000 -0.291 0.000 1.473 434 I HN 0.151 nan 8.210 nan 0.000 0.595 435 A N 7.837 130.729 122.820 0.120 0.000 2.302 435 A HA 0.857 5.177 4.320 -0.000 0.000 0.285 435 A C -0.173 177.557 177.584 0.243 0.000 1.105 435 A CA -0.422 51.711 52.037 0.159 0.000 0.816 435 A CB 0.725 19.864 19.000 0.232 0.000 1.067 435 A HN 0.740 nan 8.150 nan 0.000 0.489 436 I N -1.635 119.049 120.570 0.189 0.000 2.865 436 I HA 0.678 4.848 4.170 -0.000 0.000 0.302 436 I C -1.403 174.905 176.117 0.318 0.000 1.140 436 I CA -0.829 60.606 61.300 0.224 0.000 1.021 436 I CB 2.524 40.639 38.000 0.191 0.000 1.233 436 I HN 0.454 nan 8.210 nan 0.000 0.427 437 D N 4.669 125.234 120.400 0.275 0.000 2.493 437 D HA 0.467 5.107 4.640 -0.000 0.000 0.239 437 D C -0.170 176.240 176.300 0.184 0.000 1.049 437 D CA -0.532 53.630 54.000 0.269 0.000 1.008 437 D CB 2.355 43.261 40.800 0.177 0.000 1.398 437 D HN 0.845 nan 8.370 nan 0.000 0.513 438 M N -0.031 119.659 119.600 0.150 0.000 2.393 438 M HA -0.262 4.217 4.480 -0.000 0.000 0.201 438 M C -0.296 176.098 176.300 0.156 0.000 0.403 438 M CA 0.410 55.783 55.300 0.122 0.000 0.471 438 M CB -1.090 31.559 32.600 0.081 0.000 1.669 438 M HN 0.264 nan 8.290 nan 0.000 0.864 439 M N 1.200 120.937 119.600 0.227 0.000 2.084 439 M HA 0.547 5.027 4.480 -0.000 0.000 0.351 439 M C -0.706 175.803 176.300 0.348 0.000 1.240 439 M CA 0.071 55.548 55.300 0.295 0.000 1.083 439 M CB 0.469 33.322 32.600 0.421 0.000 1.593 439 M HN 0.247 nan 8.290 nan 0.000 0.463 440 I N 2.915 123.633 120.570 0.246 0.000 2.433 440 I HA 0.355 4.525 4.170 -0.000 0.000 0.292 440 I C -0.215 175.932 176.117 0.049 0.000 1.001 440 I CA -0.713 60.695 61.300 0.180 0.000 1.119 440 I CB 2.055 40.111 38.000 0.094 0.000 1.289 440 I HN 0.643 nan 8.210 nan 0.000 0.438 441 S N 4.068 119.623 115.700 -0.242 0.000 2.554 441 S HA 0.226 4.696 4.470 -0.000 0.000 0.278 441 S C 0.837 175.225 174.600 -0.354 0.000 1.242 441 S CA -0.455 57.364 58.200 -0.635 0.000 1.051 441 S CB 1.009 63.337 63.200 -1.453 0.000 0.986 441 S HN 0.669 nan 8.310 nan 0.000 0.502 442 E N 2.028 122.043 120.200 -0.308 0.000 2.478 442 E HA -0.057 4.293 4.350 -0.000 0.000 0.198 442 E C 1.040 177.408 176.600 -0.387 0.000 1.046 442 E CA 0.390 56.609 56.400 -0.303 0.000 0.870 442 E CB 0.170 29.692 29.700 -0.297 0.000 0.818 442 E HN 0.621 nan 8.360 nan 0.000 0.527 443 E N -0.055 119.870 120.200 -0.458 0.000 2.299 443 E HA 0.007 4.356 4.350 -0.000 0.000 0.193 443 E C 0.510 176.981 176.600 -0.215 0.000 0.998 443 E CA 0.613 56.796 56.400 -0.361 0.000 0.851 443 E CB 0.469 29.955 29.700 -0.355 0.000 0.795 443 E HN 0.240 nan 8.360 nan 0.000 0.492 444 L N 2.296 123.410 121.223 -0.183 0.000 2.475 444 L HA 0.212 4.552 4.340 -0.000 0.000 0.253 444 L C 0.154 176.993 176.870 -0.051 0.000 1.483 444 L CA -0.353 54.440 54.840 -0.078 0.000 0.869 444 L CB 0.550 42.607 42.059 -0.004 0.000 1.086 444 L HN -0.078 nan 8.230 nan 0.000 0.514 445 N N -0.183 118.476 118.700 -0.069 0.000 2.170 445 N HA 0.126 4.866 4.740 -0.000 0.000 0.222 445 N C 1.018 176.510 175.510 -0.029 0.000 1.218 445 N CA 0.333 53.357 53.050 -0.044 0.000 0.889 445 N CB 1.120 39.568 38.487 -0.066 0.000 1.083 445 N HN 0.384 nan 8.380 nan 0.000 0.520 446 G N -0.408 108.375 108.800 -0.029 0.000 2.148 446 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.254 446 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.254 446 G C 0.407 175.291 174.900 -0.027 0.000 0.981 446 G CA 0.670 45.758 45.100 -0.020 0.000 0.670 446 G HN 0.312 nan 8.290 nan 0.000 0.528 447 V N -0.585 119.305 119.914 -0.040 0.000 3.102 447 V HA 0.224 4.344 4.120 -0.000 0.000 0.225 447 V C 1.312 177.376 176.094 -0.049 0.000 1.301 447 V CA 0.570 62.847 62.300 -0.039 0.000 1.308 447 V CB -0.074 31.725 31.823 -0.040 0.000 1.129 447 V HN 0.327 nan 8.190 nan 0.000 0.502 448 N N 2.686 121.341 118.700 -0.075 0.000 2.444 448 N HA 0.323 5.063 4.740 -0.000 0.000 0.255 448 N C -0.096 175.368 175.510 -0.076 0.000 1.255 448 N CA 0.191 53.186 53.050 -0.093 0.000 0.933 448 N CB 0.651 39.049 38.487 -0.148 0.000 1.143 448 N HN 0.473 nan 8.380 nan 0.000 0.453 449 R N -0.330 120.128 120.500 -0.070 0.000 2.781 449 R HA 0.392 4.732 4.340 -0.000 0.000 0.268 449 R C -1.776 174.496 176.300 -0.047 0.000 1.047 449 R CA -0.684 55.385 56.100 -0.051 0.000 0.925 449 R CB 0.707 30.989 30.300 -0.029 0.000 1.246 449 R HN 0.268 nan 8.270 nan 0.000 0.456 450 D N 1.852 122.232 120.400 -0.033 0.000 2.427 450 D HA 0.343 4.983 4.640 -0.000 0.000 0.226 450 D C 0.102 176.397 176.300 -0.009 0.000 1.076 450 D CA -0.358 53.628 54.000 -0.024 0.000 0.849 450 D CB 1.371 42.156 40.800 -0.025 0.000 1.052 450 D HN 0.244 nan 8.370 nan 0.000 0.515 451 L N 1.705 122.930 121.223 0.003 0.000 2.467 451 L HA 0.209 4.549 4.340 -0.000 0.000 0.270 451 L C 1.930 178.806 176.870 0.011 0.000 1.205 451 L CA -0.160 54.690 54.840 0.016 0.000 0.828 451 L CB 0.925 43.010 42.059 0.042 0.000 1.101 451 L HN 0.194 nan 8.230 nan 0.000 0.479 452 R N 0.383 120.888 120.500 0.009 0.000 2.290 452 R HA 0.053 4.392 4.340 -0.000 0.000 0.197 452 R C -0.165 176.139 176.300 0.005 0.000 0.913 452 R CA 0.116 56.219 56.100 0.004 0.000 1.040 452 R CB 0.274 30.574 30.300 -0.000 0.000 0.992 452 R HN 0.599 nan 8.270 nan 0.000 0.500 453 Q N 0.008 119.814 119.800 0.010 0.000 2.553 453 Q HA 0.441 4.781 4.340 -0.000 0.000 0.293 453 Q C -3.120 172.892 176.000 0.021 0.000 1.038 453 Q CA -2.923 52.885 55.803 0.008 0.000 0.777 453 Q CB 1.011 29.748 28.738 -0.002 0.000 1.487 453 Q HN -0.277 nan 8.270 nan 0.000 0.426 454 P HA -0.035 nan 4.420 nan 0.000 0.265 454 P C -0.859 176.469 177.300 0.047 0.000 1.187 454 P CA 0.113 63.235 63.100 0.035 0.000 0.766 454 P CB -0.025 31.682 31.700 0.013 0.000 0.820 455 Y N 2.732 123.017 120.300 -0.024 0.000 2.610 455 Y HA 0.076 4.626 4.550 -0.000 0.000 0.332 455 Y C 0.227 176.112 175.900 -0.024 0.000 1.201 455 Y CA 0.035 58.120 58.100 -0.026 0.000 1.465 455 Y CB 0.065 38.507 38.460 -0.031 0.000 1.283 455 Y HN 0.266 nan 8.280 nan 0.000 0.563 456 D N 8.454 128.373 120.400 -0.802 0.000 2.441 456 D HA 0.271 4.911 4.640 -0.000 0.000 0.231 456 D C -2.096 173.580 176.300 -1.040 0.000 1.073 456 D CA -2.605 50.987 54.000 -0.680 0.000 0.850 456 D CB 1.474 42.081 40.800 -0.322 0.000 1.062 456 D HN 0.402 nan 8.370 nan 0.000 0.524 457 P HA -0.057 nan 4.420 nan 0.000 0.239 457 P C 0.802 177.999 177.300 -0.171 0.000 1.184 457 P CA 0.687 63.528 63.100 -0.432 0.000 0.760 457 P CB 0.093 31.722 31.700 -0.119 0.000 0.884 458 T N -4.245 110.197 114.554 -0.186 0.000 3.040 458 T HA 0.491 4.840 4.350 -0.000 0.000 0.250 458 T C 0.770 175.421 174.700 -0.081 0.000 1.058 458 T CA -0.214 61.828 62.100 -0.097 0.000 0.988 458 T CB 0.043 68.861 68.868 -0.084 0.000 0.993 458 T HN 0.050 nan 8.240 nan 0.000 0.519 459 A N 2.596 125.350 122.820 -0.110 0.000 2.365 459 A HA 0.790 5.109 4.320 -0.000 0.000 0.318 459 A C -2.906 174.662 177.584 -0.025 0.000 1.091 459 A CA -2.286 49.711 52.037 -0.066 0.000 0.763 459 A CB 1.334 20.288 19.000 -0.077 0.000 1.248 459 A HN 0.162 nan 8.150 nan 0.000 0.442 460 P HA 0.073 nan 4.420 nan 0.000 0.271 460 P C 0.810 178.135 177.300 0.043 0.000 1.218 460 P CA -0.185 62.932 63.100 0.029 0.000 0.780 460 P CB 0.762 32.470 31.700 0.013 0.000 0.901 461 I N 2.639 123.254 120.570 0.075 0.000 2.300 461 I HA -0.284 3.886 4.170 -0.000 0.000 0.252 461 I C 1.770 177.907 176.117 0.033 0.000 1.119 461 I CA 1.834 63.181 61.300 0.078 0.000 1.384 461 I CB -0.685 37.346 38.000 0.052 0.000 1.062 461 I HN 0.336 nan 8.210 nan 0.000 0.426 462 E N 0.066 120.276 120.200 0.016 0.000 2.204 462 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 462 E C 1.208 177.809 176.600 0.002 0.000 0.989 462 E CA 1.171 57.573 56.400 0.004 0.000 0.824 462 E CB -0.215 29.484 29.700 -0.001 0.000 0.756 462 E HN 0.481 nan 8.360 nan 0.000 0.477 463 D N 0.340 120.741 120.400 0.002 0.000 2.325 463 D HA 0.036 4.676 4.640 -0.000 0.000 0.225 463 D C -0.354 175.942 176.300 -0.007 0.000 1.096 463 D CA 0.250 54.247 54.000 -0.005 0.000 0.844 463 D CB 0.130 40.923 40.800 -0.011 0.000 0.925 463 D HN 0.209 nan 8.370 nan 0.000 0.513 464 Q N 0.914 120.716 119.800 0.003 0.000 2.333 464 Q HA 0.374 4.713 4.340 -0.000 0.000 0.268 464 Q C -2.545 173.460 176.000 0.007 0.000 1.007 464 Q CA -2.006 53.800 55.803 0.005 0.000 0.810 464 Q CB 2.211 30.964 28.738 0.026 0.000 1.264 464 Q HN -0.107 nan 8.270 nan 0.000 0.452 465 P HA 0.181 nan 4.420 nan 0.000 0.265 465 P C -0.320 176.982 177.300 0.003 0.000 1.193 465 P CA 0.243 63.343 63.100 -0.001 0.000 0.765 465 P CB 0.727 32.425 31.700 -0.004 0.000 0.823 466 G N 1.626 110.425 108.800 -0.001 0.000 2.316 466 G HA2 0.269 4.229 3.960 -0.000 0.000 0.296 466 G HA3 0.269 4.229 3.960 -0.000 0.000 0.296 466 G C -1.601 173.294 174.900 -0.008 0.000 1.399 466 G CA -0.816 44.282 45.100 -0.003 0.000 0.833 466 G HN 0.377 nan 8.290 nan 0.000 0.565 467 I N 1.322 121.885 120.570 -0.012 0.000 2.322 467 I HA 0.252 4.422 4.170 -0.000 0.000 0.292 467 I C 0.555 176.660 176.117 -0.020 0.000 1.060 467 I CA -0.674 60.617 61.300 -0.015 0.000 1.309 467 I CB 1.230 39.221 38.000 -0.016 0.000 1.415 467 I HN 0.163 nan 8.210 nan 0.000 0.492 468 V N 7.276 127.179 119.914 -0.019 0.000 2.572 468 V HA 0.128 4.248 4.120 -0.000 0.000 0.291 468 V C 0.846 176.924 176.094 -0.026 0.000 1.039 468 V CA -0.624 61.662 62.300 -0.023 0.000 1.055 468 V CB 0.324 32.136 31.823 -0.018 0.000 0.969 468 V HN 0.606 nan 8.190 nan 0.000 0.482 469 R N 2.847 123.325 120.500 -0.038 0.000 2.401 469 R HA 0.188 4.528 4.340 -0.000 0.000 0.299 469 R C 0.339 176.624 176.300 -0.024 0.000 1.064 469 R CA -0.095 55.981 56.100 -0.040 0.000 1.000 469 R CB 0.215 30.476 30.300 -0.066 0.000 0.973 469 R HN 0.736 nan 8.270 nan 0.000 0.438 470 T N 3.587 118.135 114.554 -0.009 0.000 2.933 470 T HA -0.052 4.298 4.350 -0.000 0.000 0.306 470 T C 0.854 175.565 174.700 0.017 0.000 1.045 470 T CA 0.277 62.383 62.100 0.009 0.000 1.143 470 T CB 0.409 69.292 68.868 0.025 0.000 1.003 470 T HN 0.290 nan 8.240 nan 0.000 0.540 471 R N 3.310 123.823 120.500 0.022 0.000 2.248 471 R HA 0.372 4.712 4.340 -0.000 0.000 0.328 471 R C -0.717 175.622 176.300 0.065 0.000 1.067 471 R CA -0.220 55.900 56.100 0.032 0.000 0.924 471 R CB 0.039 30.352 30.300 0.021 0.000 1.013 471 R HN 0.599 nan 8.270 nan 0.000 0.454 472 I N 5.260 125.889 120.570 0.098 0.000 2.418 472 I HA 0.233 4.402 4.170 -0.000 0.000 0.287 472 I C -0.644 175.575 176.117 0.169 0.000 1.008 472 I CA -1.118 60.270 61.300 0.147 0.000 1.104 472 I CB 2.155 40.267 38.000 0.187 0.000 1.264 472 I HN 0.307 nan 8.210 nan 0.000 0.438 473 V N 6.867 126.860 119.914 0.131 0.000 2.350 473 V HA 0.455 4.575 4.120 -0.000 0.000 0.276 473 V C 0.239 176.394 176.094 0.101 0.000 1.028 473 V CA -0.686 61.688 62.300 0.125 0.000 0.860 473 V CB 1.090 32.961 31.823 0.080 0.000 0.990 473 V HN 0.615 nan 8.190 nan 0.000 0.453 474 R N 2.278 122.843 120.500 0.109 0.000 2.643 474 R HA 0.605 4.945 4.340 -0.000 0.000 0.272 474 R C -0.783 175.484 176.300 -0.055 0.000 0.995 474 R CA -0.880 55.172 56.100 -0.081 0.000 1.032 474 R CB 1.873 31.961 30.300 -0.353 0.000 1.126 474 R HN 0.893 nan 8.270 nan 0.000 0.505 475 H N 0.228 119.087 119.070 -0.351 0.000 2.679 475 H HA 0.539 5.095 4.556 -0.000 0.000 0.360 475 H C -1.574 173.510 175.328 -0.407 0.000 1.105 475 H CA -0.527 55.408 56.048 -0.189 0.000 1.196 475 H CB 0.828 30.537 29.762 -0.088 0.000 1.636 475 H HN 0.374 nan 8.280 nan 0.000 0.531 476 F N 2.348 121.903 119.950 -0.659 0.000 2.563 476 F HA 0.250 4.776 4.527 -0.000 0.000 0.316 476 F C 0.704 176.122 175.800 -0.637 0.000 1.076 476 F CA -0.741 56.976 58.000 -0.472 0.000 0.921 476 F CB 2.128 41.024 39.000 -0.174 0.000 1.209 476 F HN 0.591 nan 8.300 nan 0.000 0.462 477 D N 0.304 120.606 120.400 -0.164 0.000 2.333 477 D HA 0.046 4.685 4.640 -0.000 0.000 0.208 477 D C 0.225 176.515 176.300 -0.017 0.000 0.984 477 D CA 0.855 54.823 54.000 -0.054 0.000 0.873 477 D CB 0.458 41.279 40.800 0.034 0.000 0.935 477 D HN 0.449 nan 8.370 nan 0.000 0.521 478 S N -1.566 114.125 115.700 -0.015 0.000 2.611 478 S HA 0.560 5.030 4.470 -0.000 0.000 0.268 478 S C 0.455 174.991 174.600 -0.106 0.000 1.156 478 S CA -0.348 57.803 58.200 -0.082 0.000 0.817 478 S CB 1.629 64.772 63.200 -0.095 0.000 1.122 478 S HN -0.086 nan 8.310 nan 0.000 0.466 479 A N 0.276 123.002 122.820 -0.156 0.000 2.066 479 A HA 0.122 4.441 4.320 -0.000 0.000 0.218 479 A C 1.547 179.083 177.584 -0.079 0.000 1.157 479 A CA 0.658 52.573 52.037 -0.204 0.000 0.670 479 A CB -0.904 18.055 19.000 -0.068 0.000 0.804 479 A HN 0.871 nan 8.150 nan 0.000 0.453 480 W N 0.693 121.864 121.300 -0.216 0.000 2.358 480 W HA -0.182 4.478 4.660 -0.000 0.000 0.303 480 W C 1.998 178.479 176.519 -0.063 0.000 1.208 480 W CA 1.761 59.034 57.345 -0.120 0.000 1.274 480 W CB 0.005 29.376 29.460 -0.148 0.000 1.138 480 W HN 0.618 nan 8.180 nan 0.000 0.515 481 E N 0.470 120.729 120.200 0.099 0.000 2.051 481 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 481 E C 2.364 178.944 176.600 -0.033 0.000 0.991 481 E CA 1.647 58.109 56.400 0.102 0.000 0.799 481 E CB -0.626 29.190 29.700 0.193 0.000 0.748 481 E HN 0.238 nan 8.360 nan 0.000 0.449 482 L N 0.476 121.526 121.223 -0.288 0.000 1.990 482 L HA -0.249 4.090 4.340 -0.000 0.000 0.213 482 L C 2.919 179.399 176.870 -0.649 0.000 1.072 482 L CA 1.743 56.199 54.840 -0.640 0.000 0.755 482 L CB -0.500 40.831 42.059 -1.213 0.000 0.889 482 L HN 0.380 nan 8.230 nan 0.000 0.432 483 M N -0.951 118.376 119.600 -0.455 0.000 2.080 483 M HA -0.294 4.186 4.480 -0.000 0.000 0.260 483 M C 2.330 178.460 176.300 -0.285 0.000 1.068 483 M CA 2.049 57.203 55.300 -0.243 0.000 1.109 483 M CB -0.191 32.311 32.600 -0.163 0.000 1.342 483 M HN 0.199 nan 8.290 nan 0.000 0.405 484 F N 0.985 120.707 119.950 -0.380 0.000 2.051 484 F HA -0.211 4.315 4.527 -0.001 0.000 0.296 484 F C 2.315 177.915 175.800 -0.334 0.000 1.122 484 F CA 2.343 60.159 58.000 -0.307 0.000 1.201 484 F CB -0.771 38.074 39.000 -0.258 0.000 0.978 484 F HN 0.264 nan 8.300 nan 0.000 0.472 485 E N -0.080 119.832 120.200 -0.480 0.000 2.110 485 E HA -0.313 4.037 4.350 -0.000 0.000 0.193 485 E C 2.045 178.124 176.600 -0.867 0.000 0.988 485 E CA 1.371 57.436 56.400 -0.558 0.000 0.804 485 E CB -0.399 29.302 29.700 0.001 0.000 0.745 485 E HN 0.488 nan 8.360 nan 0.000 0.458 486 N N 0.212 118.138 118.700 -1.290 0.000 2.149 486 N HA -0.181 4.559 4.740 -0.000 0.000 0.188 486 N C 1.524 176.687 175.510 -0.579 0.000 1.019 486 N CA 1.775 53.980 53.050 -1.410 0.000 0.857 486 N CB -0.190 37.613 38.487 -1.139 0.000 0.997 486 N HN 0.219 nan 8.380 nan 0.000 0.426 487 A N 1.021 123.527 122.820 -0.523 0.000 1.854 487 A HA -0.013 4.307 4.320 -0.000 0.000 0.214 487 A C 2.282 179.601 177.584 -0.442 0.000 1.192 487 A CA 1.417 53.224 52.037 -0.383 0.000 0.611 487 A CB -1.033 17.762 19.000 -0.341 0.000 0.832 487 A HN 0.555 nan 8.150 nan 0.000 0.442 488 I N -0.793 119.372 120.570 -0.674 0.000 2.756 488 I HA -0.142 4.027 4.170 -0.000 0.000 0.262 488 I C 2.185 177.797 176.117 -0.842 0.000 1.225 488 I CA 1.698 62.514 61.300 -0.808 0.000 1.472 488 I CB -0.548 36.720 38.000 -1.220 0.000 1.094 488 I HN 0.329 nan 8.210 nan 0.000 0.454 489 S N 2.138 117.530 115.700 -0.512 0.000 2.383 489 S HA -0.171 4.298 4.470 -0.000 0.000 0.229 489 S C 2.074 176.569 174.600 -0.175 0.000 1.030 489 S CA 0.814 58.902 58.200 -0.186 0.000 1.002 489 S CB -0.496 62.749 63.200 0.076 0.000 0.829 489 S HN 0.496 nan 8.310 nan 0.000 0.467 490 R N 1.098 121.473 120.500 -0.209 0.000 2.189 490 R HA 0.258 4.598 4.340 -0.000 0.000 0.223 490 R C 2.154 178.375 176.300 -0.132 0.000 1.092 490 R CA 0.811 56.840 56.100 -0.119 0.000 0.989 490 R CB -1.050 29.278 30.300 0.048 0.000 0.876 490 R HN 0.551 nan 8.270 nan 0.000 0.457 491 I N -0.064 120.356 120.570 -0.250 0.000 2.333 491 I HA -0.183 3.987 4.170 -0.000 0.000 0.246 491 I C 1.545 177.622 176.117 -0.067 0.000 1.106 491 I CA 0.923 62.101 61.300 -0.204 0.000 1.411 491 I CB -0.252 37.575 38.000 -0.288 0.000 1.082 491 I HN -0.072 nan 8.210 nan 0.000 0.420 492 F N 0.788 120.718 119.950 -0.033 0.000 2.293 492 F HA -0.111 4.416 4.527 -0.000 0.000 0.300 492 F C 2.197 177.961 175.800 -0.059 0.000 1.086 492 F CA 1.027 59.008 58.000 -0.031 0.000 1.375 492 F CB -0.954 38.010 39.000 -0.061 0.000 1.045 492 F HN 0.002 nan 8.300 nan 0.000 0.516 493 L N -0.933 120.329 121.223 0.064 0.000 2.418 493 L HA 0.176 4.516 4.340 -0.000 0.000 0.218 493 L C 1.752 178.552 176.870 -0.116 0.000 1.125 493 L CA 0.751 55.560 54.840 -0.052 0.000 0.835 493 L CB -0.837 41.153 42.059 -0.115 0.000 0.953 493 L HN 0.359 nan 8.230 nan 0.000 0.454 494 G N 0.444 109.197 108.800 -0.078 0.000 2.160 494 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.244 494 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.244 494 G C 0.703 175.474 174.900 -0.214 0.000 1.022 494 G CA 0.442 45.492 45.100 -0.083 0.000 0.741 494 G HN 0.311 nan 8.290 nan 0.000 0.508 495 V N -4.306 115.437 119.914 -0.285 0.000 3.644 495 V HA 0.473 4.593 4.120 -0.000 0.000 0.267 495 V C 0.715 176.436 176.094 -0.621 0.000 1.277 495 V CA 0.588 62.617 62.300 -0.452 0.000 1.096 495 V CB 0.017 31.529 31.823 -0.517 0.000 0.828 495 V HN 0.422 nan 8.190 nan 0.000 0.446 496 H N -1.402 117.531 119.070 -0.228 0.000 2.930 496 H HA 0.421 4.976 4.556 -0.001 0.000 0.371 496 H C -1.436 173.718 175.328 -0.291 0.000 1.169 496 H CA -1.272 54.659 56.048 -0.195 0.000 1.157 496 H CB 1.297 31.006 29.762 -0.089 0.000 1.789 496 H HN 0.338 nan 8.280 nan 0.000 0.547 497 W N 2.672 123.930 121.300 -0.070 0.000 2.129 497 W HA 0.183 4.843 4.660 -0.000 0.000 0.349 497 W C 2.052 178.316 176.519 -0.425 0.000 1.279 497 W CA -0.590 56.508 57.345 -0.411 0.000 1.306 497 W CB 0.960 29.779 29.460 -1.067 0.000 1.140 497 W HN 0.658 nan 8.180 nan 0.000 0.613 498 R N 0.696 121.108 120.500 -0.146 0.000 2.091 498 R HA -0.224 4.116 4.340 -0.000 0.000 0.238 498 R C 1.506 177.800 176.300 -0.010 0.000 1.136 498 R CA 2.017 58.081 56.100 -0.061 0.000 0.959 498 R CB -1.304 28.994 30.300 -0.004 0.000 0.856 498 R HN 0.616 nan 8.270 nan 0.000 0.437 499 F N 0.853 120.907 119.950 0.173 0.000 2.771 499 F HA 0.197 4.724 4.527 -0.000 0.000 0.299 499 F C 0.728 176.642 175.800 0.190 0.000 1.177 499 F CA -0.024 58.055 58.000 0.131 0.000 1.450 499 F CB -0.273 38.757 39.000 0.050 0.000 1.114 499 F HN -0.144 nan 8.300 nan 0.000 0.587 500 D N 1.056 121.556 120.400 0.166 0.000 2.289 500 D HA 0.054 4.694 4.640 -0.000 0.000 0.207 500 D C 2.240 178.478 176.300 -0.103 0.000 0.966 500 D CA 1.196 55.255 54.000 0.099 0.000 0.868 500 D CB -0.082 40.759 40.800 0.068 0.000 0.943 500 D HN 0.401 nan 8.370 nan 0.000 0.514 501 A N 0.189 122.966 122.820 -0.070 0.000 1.862 501 A HA 0.568 4.888 4.320 -0.000 0.000 0.211 501 A C 1.086 178.615 177.584 -0.092 0.000 1.220 501 A CA 1.293 53.255 52.037 -0.125 0.000 0.616 501 A CB 0.061 18.992 19.000 -0.115 0.000 0.878 501 A HN 0.232 nan 8.150 nan 0.000 0.453 502 A N -2.746 120.088 122.820 0.023 0.000 2.536 502 A HA 0.647 4.967 4.320 -0.000 0.000 0.293 502 A C -0.246 177.428 177.584 0.151 0.000 1.119 502 A CA -0.152 51.935 52.037 0.082 0.000 0.654 502 A CB -0.325 18.790 19.000 0.191 0.000 1.291 502 A HN 1.673 nan 8.150 nan 0.000 0.439 503 A N 0.046 122.964 122.820 0.163 0.000 2.524 503 A HA 0.504 4.824 4.320 -0.000 0.000 0.250 503 A C 1.453 179.086 177.584 0.083 0.000 1.078 503 A CA 0.673 52.792 52.037 0.137 0.000 0.761 503 A CB -0.349 18.726 19.000 0.124 0.000 1.012 503 A HN 2.320 nan 8.150 nan 0.000 0.500 504 A N 2.600 125.444 122.820 0.040 0.000 1.986 504 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 504 A C 2.172 179.544 177.584 -0.354 0.000 1.171 504 A CA 1.810 53.734 52.037 -0.189 0.000 0.640 504 A CB -0.378 18.490 19.000 -0.221 0.000 0.811 504 A HN 0.907 nan 8.150 nan 0.000 0.451 505 R N -0.628 119.833 120.500 -0.065 0.000 2.148 505 R HA -0.126 4.214 4.340 -0.000 0.000 0.227 505 R C 0.789 177.103 176.300 0.023 0.000 1.103 505 R CA 1.500 57.642 56.100 0.069 0.000 0.983 505 R CB -0.136 30.263 30.300 0.164 0.000 0.874 505 R HN 0.488 nan 8.270 nan 0.000 0.451 506 D N -0.162 120.246 120.400 0.013 0.000 2.271 506 D HA -0.057 4.583 4.640 -0.000 0.000 0.206 506 D C 1.697 177.968 176.300 -0.049 0.000 0.967 506 D CA 0.956 54.949 54.000 -0.012 0.000 0.867 506 D CB 0.230 41.044 40.800 0.023 0.000 0.960 506 D HN 0.477 nan 8.370 nan 0.000 0.509 507 I N -2.910 117.662 120.570 0.003 0.000 3.939 507 I HA 0.192 4.362 4.170 -0.000 0.000 0.313 507 I C 0.496 176.655 176.117 0.070 0.000 1.274 507 I CA -0.067 61.297 61.300 0.106 0.000 1.301 507 I CB 0.290 38.492 38.000 0.337 0.000 1.105 507 I HN -0.260 nan 8.210 nan 0.000 0.427 508 L N 1.783 122.919 121.223 -0.145 0.000 2.358 508 L HA 0.489 4.829 4.340 -0.000 0.000 0.268 508 L C -0.223 176.626 176.870 -0.035 0.000 1.032 508 L CA -1.082 53.620 54.840 -0.230 0.000 0.805 508 L CB 2.014 43.731 42.059 -0.569 0.000 1.253 508 L HN -0.050 nan 8.230 nan 0.000 0.452 509 I N 3.452 124.056 120.570 0.057 0.000 2.337 509 I HA 0.215 4.385 4.170 -0.000 0.000 0.291 509 I C -1.924 174.369 176.117 0.293 0.000 1.046 509 I CA -1.943 59.441 61.300 0.141 0.000 1.324 509 I CB 0.671 38.723 38.000 0.088 0.000 1.409 509 I HN 0.257 nan 8.210 nan 0.000 0.494 510 P HA 0.219 nan 4.420 nan 0.000 0.276 510 P C -0.241 177.059 177.300 0.001 0.000 1.252 510 P CA -0.049 63.132 63.100 0.134 0.000 0.802 510 P CB 1.277 33.041 31.700 0.107 0.000 1.035 511 T N -3.747 110.740 114.554 -0.113 0.000 2.841 511 T HA 0.327 4.677 4.350 -0.000 0.000 0.276 511 T C 1.410 176.062 174.700 -0.079 0.000 1.003 511 T CA -0.017 62.040 62.100 -0.073 0.000 0.995 511 T CB -0.114 68.706 68.868 -0.079 0.000 1.260 511 T HN 0.434 nan 8.240 nan 0.000 0.581 512 T N -1.190 113.332 114.554 -0.054 0.000 2.962 512 T HA 0.082 4.432 4.350 -0.000 0.000 0.270 512 T C 0.882 175.546 174.700 -0.060 0.000 1.088 512 T CA 0.639 62.712 62.100 -0.045 0.000 1.127 512 T CB -0.824 68.028 68.868 -0.027 0.000 0.883 512 T HN 0.673 nan 8.240 nan 0.000 0.493 513 T N 2.776 117.282 114.554 -0.080 0.000 2.749 513 T HA 0.303 4.653 4.350 -0.000 0.000 0.295 513 T C -0.085 174.530 174.700 -0.140 0.000 0.936 513 T CA -0.669 61.379 62.100 -0.086 0.000 1.060 513 T CB 1.393 70.217 68.868 -0.072 0.000 0.904 513 T HN 0.290 nan 8.240 nan 0.000 0.500 514 K N 2.594 122.929 120.400 -0.108 0.000 2.448 514 K HA -0.013 4.306 4.320 -0.000 0.000 0.278 514 K C 0.145 176.654 176.600 -0.151 0.000 1.009 514 K CA 0.078 56.291 56.287 -0.124 0.000 0.995 514 K CB 0.232 32.695 32.500 -0.061 0.000 0.917 514 K HN 0.646 nan 8.250 nan 0.000 0.481 515 D N 0.363 120.630 120.400 -0.222 0.000 2.946 515 D HA -0.158 4.482 4.640 -0.000 0.000 0.202 515 D C -0.733 175.422 176.300 -0.241 0.000 1.068 515 D CA 0.866 54.782 54.000 -0.139 0.000 1.011 515 D CB -0.917 39.888 40.800 0.009 0.000 1.105 515 D HN 0.213 nan 8.370 nan 0.000 0.425 516 V N 1.340 120.994 119.914 -0.435 0.000 2.384 516 V HA 0.430 4.549 4.120 -0.000 0.000 0.287 516 V C -0.038 175.736 176.094 -0.532 0.000 1.020 516 V CA -0.662 61.466 62.300 -0.288 0.000 0.850 516 V CB 1.259 33.005 31.823 -0.129 0.000 0.987 516 V HN -0.036 nan 8.190 nan 0.000 0.436 517 Y N 1.955 122.259 120.300 0.006 0.000 2.496 517 Y HA 0.722 5.272 4.550 -0.001 0.000 0.331 517 Y C 0.745 176.634 175.900 -0.018 0.000 1.140 517 Y CA -0.748 57.346 58.100 -0.011 0.000 1.166 517 Y CB 1.268 39.710 38.460 -0.030 0.000 1.249 517 Y HN 0.700 nan 8.280 nan 0.000 0.479 518 A N 1.375 124.272 122.820 0.128 0.000 2.462 518 A HA 0.518 4.838 4.320 -0.000 0.000 0.243 518 A C -0.346 177.268 177.584 0.050 0.000 1.076 518 A CA -0.262 51.815 52.037 0.066 0.000 0.773 518 A CB -0.363 18.673 19.000 0.060 0.000 1.010 518 A HN 0.760 nan 8.150 nan 0.000 0.493 519 V N 0.420 120.358 119.914 0.041 0.000 2.914 519 V HA 0.717 4.836 4.120 -0.000 0.000 0.314 519 V C -0.358 175.763 176.094 0.044 0.000 1.084 519 V CA -0.792 61.532 62.300 0.040 0.000 0.963 519 V CB 1.757 33.604 31.823 0.039 0.000 1.025 519 V HN 0.964 nan 8.190 nan 0.000 0.432 520 D N 2.025 122.457 120.400 0.053 0.000 2.447 520 D HA 0.203 4.842 4.640 -0.000 0.000 0.265 520 D C 0.772 177.097 176.300 0.042 0.000 1.250 520 D CA -0.143 53.888 54.000 0.052 0.000 1.046 520 D CB 0.062 40.902 40.800 0.066 0.000 1.095 520 D HN 0.496 nan 8.370 nan 0.000 0.555 521 N N -0.622 118.101 118.700 0.038 0.000 2.091 521 N HA -0.231 4.508 4.740 -0.000 0.000 0.193 521 N C 0.627 176.155 175.510 0.030 0.000 1.021 521 N CA 1.927 54.995 53.050 0.031 0.000 0.862 521 N CB -0.730 37.774 38.487 0.028 0.000 1.018 521 N HN 0.662 nan 8.380 nan 0.000 0.429 522 N N -1.276 117.445 118.700 0.036 0.000 2.276 522 N HA 0.246 4.986 4.740 -0.000 0.000 0.212 522 N C 0.861 176.395 175.510 0.040 0.000 1.127 522 N CA 0.381 53.452 53.050 0.035 0.000 0.834 522 N CB 0.472 38.980 38.487 0.035 0.000 1.014 522 N HN 0.207 nan 8.380 nan 0.000 0.491 523 G N -1.493 107.331 108.800 0.041 0.000 2.199 523 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.254 523 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.254 523 G C 0.320 175.253 174.900 0.056 0.000 0.982 523 G CA 0.009 45.135 45.100 0.043 0.000 0.632 523 G HN 0.822 nan 8.290 nan 0.000 0.529 524 A N 0.451 123.313 122.820 0.069 0.000 2.425 524 A HA 0.629 4.949 4.320 -0.000 0.000 0.249 524 A C 0.854 178.493 177.584 0.092 0.000 1.084 524 A CA 1.126 53.221 52.037 0.097 0.000 0.781 524 A CB 0.266 19.332 19.000 0.111 0.000 1.019 524 A HN 0.771 nan 8.150 nan 0.000 0.490 525 T N 1.751 116.361 114.554 0.093 0.000 2.916 525 T HA 0.367 4.716 4.350 -0.000 0.000 0.303 525 T C 0.148 174.826 174.700 -0.036 0.000 1.025 525 T CA 0.049 62.136 62.100 -0.021 0.000 1.142 525 T CB 0.352 69.133 68.868 -0.144 0.000 0.947 525 T HN 0.421 nan 8.240 nan 0.000 0.544 526 V N 4.872 124.736 119.914 -0.084 0.000 2.394 526 V HA 0.460 4.580 4.120 -0.000 0.000 0.282 526 V C -0.301 175.724 176.094 -0.115 0.000 1.031 526 V CA -0.755 61.559 62.300 0.023 0.000 0.881 526 V CB 0.518 32.382 31.823 0.068 0.000 0.982 526 V HN 0.677 nan 8.190 nan 0.000 0.451 527 F N 1.698 121.748 119.950 0.167 0.000 2.403 527 F HA 0.488 5.015 4.527 -0.001 0.000 0.326 527 F C 0.830 176.689 175.800 0.097 0.000 1.081 527 F CA -0.608 57.498 58.000 0.175 0.000 1.041 527 F CB 0.868 40.073 39.000 0.342 0.000 1.234 527 F HN 0.417 nan 8.300 nan 0.000 0.503 528 Q N 0.885 120.806 119.800 0.201 0.000 2.443 528 Q HA 0.155 4.495 4.340 -0.000 0.000 0.232 528 Q C -0.536 175.451 176.000 -0.021 0.000 1.026 528 Q CA -0.636 55.195 55.803 0.047 0.000 0.924 528 Q CB 0.473 29.189 28.738 -0.035 0.000 1.256 528 Q HN 0.470 nan 8.270 nan 0.000 0.519 529 N N 0.457 119.139 118.700 -0.031 0.000 2.513 529 N HA -0.028 4.712 4.740 -0.000 0.000 0.268 529 N C 0.996 176.411 175.510 -0.157 0.000 1.180 529 N CA 0.028 53.049 53.050 -0.048 0.000 0.948 529 N CB 1.183 39.668 38.487 -0.003 0.000 1.083 529 N HN 0.340 nan 8.380 nan 0.000 0.455 530 V N 2.045 121.835 119.914 -0.207 0.000 2.317 530 V HA -0.248 3.872 4.120 -0.000 0.000 0.251 530 V C 2.045 178.154 176.094 0.024 0.000 1.065 530 V CA 1.653 63.808 62.300 -0.242 0.000 1.049 530 V CB -0.317 31.453 31.823 -0.087 0.000 0.651 530 V HN 0.620 nan 8.190 nan 0.000 0.450 531 E N -0.090 120.128 120.200 0.031 0.000 2.265 531 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 531 E C 1.638 178.244 176.600 0.011 0.000 0.996 531 E CA 1.123 57.541 56.400 0.030 0.000 0.832 531 E CB -0.226 29.473 29.700 -0.002 0.000 0.756 531 E HN 0.681 nan 8.360 nan 0.000 0.491 532 D N -0.141 120.255 120.400 -0.007 0.000 2.360 532 D HA 0.089 4.729 4.640 -0.000 0.000 0.210 532 D C 0.707 176.992 176.300 -0.025 0.000 1.047 532 D CA -0.031 53.959 54.000 -0.017 0.000 0.854 532 D CB 0.655 41.440 40.800 -0.024 0.000 0.936 532 D HN 0.161 nan 8.370 nan 0.000 0.514 533 I N 2.248 122.795 120.570 -0.037 0.000 2.533 533 I HA 0.046 4.216 4.170 -0.000 0.000 0.284 533 I C 0.317 176.404 176.117 -0.050 0.000 1.109 533 I CA 0.216 61.421 61.300 -0.159 0.000 1.412 533 I CB 0.415 38.150 38.000 -0.441 0.000 1.396 533 I HN -0.390 nan 8.210 nan 0.000 0.543 534 R N 6.066 126.457 120.500 -0.180 0.000 2.538 534 R HA 0.264 4.604 4.340 -0.000 0.000 0.292 534 R C -1.405 174.783 176.300 -0.187 0.000 1.008 534 R CA -0.904 55.159 56.100 -0.060 0.000 0.896 534 R CB 1.221 31.535 30.300 0.024 0.000 1.187 534 R HN 0.408 nan 8.270 nan 0.000 0.440 535 Y N 1.707 122.098 120.300 0.151 0.000 2.623 535 Y HA 0.043 4.593 4.550 -0.000 0.000 0.341 535 Y C 1.791 177.740 175.900 0.081 0.000 1.292 535 Y CA -0.092 58.055 58.100 0.078 0.000 1.840 535 Y CB -0.006 38.478 38.460 0.039 0.000 1.865 535 Y HN 0.567 nan 8.280 nan 0.000 0.440 536 T N -4.328 110.315 114.554 0.147 0.000 3.040 536 T HA 0.022 4.371 4.350 -0.000 0.000 0.252 536 T C 0.816 175.575 174.700 0.098 0.000 1.064 536 T CA 0.010 62.177 62.100 0.112 0.000 1.110 536 T CB -0.177 68.735 68.868 0.074 0.000 0.921 536 T HN 0.274 nan 8.240 nan 0.000 0.480 537 T N 3.619 118.234 114.554 0.101 0.000 2.784 537 T HA 0.296 4.646 4.350 -0.000 0.000 0.291 537 T C 0.073 174.830 174.700 0.094 0.000 0.942 537 T CA 0.017 62.171 62.100 0.089 0.000 1.161 537 T CB 0.311 69.233 68.868 0.090 0.000 0.885 537 T HN 0.329 nan 8.240 nan 0.000 0.534 538 R N 1.457 122.003 120.500 0.077 0.000 2.873 538 R HA 0.774 5.114 4.340 -0.000 0.000 0.264 538 R C 0.407 176.754 176.300 0.077 0.000 1.026 538 R CA -0.978 55.173 56.100 0.084 0.000 1.002 538 R CB 1.985 32.323 30.300 0.064 0.000 1.174 538 R HN 0.722 nan 8.270 nan 0.000 0.488 539 G N -0.371 108.495 108.800 0.109 0.000 2.949 539 G HA2 0.463 4.422 3.960 -0.000 0.000 0.285 539 G HA3 0.463 4.422 3.960 -0.000 0.000 0.285 539 G C -0.836 174.162 174.900 0.164 0.000 1.395 539 G CA -0.501 44.651 45.100 0.087 0.000 0.901 539 G HN 0.536 nan 8.290 nan 0.000 0.519 540 T N -2.008 112.611 114.554 0.109 0.000 2.944 540 T HA 0.766 5.116 4.350 -0.000 0.000 0.284 540 T C -0.178 174.574 174.700 0.087 0.000 1.010 540 T CA -0.707 61.488 62.100 0.158 0.000 1.025 540 T CB 1.948 70.860 68.868 0.074 0.000 1.079 540 T HN 0.502 nan 8.240 nan 0.000 0.516 541 R N 0.161 120.700 120.500 0.066 0.000 2.686 541 R HA 0.324 4.664 4.340 -0.000 0.000 0.286 541 R C 1.035 177.306 176.300 -0.048 0.000 0.969 541 R CA -0.732 55.313 56.100 -0.092 0.000 0.898 541 R CB 2.083 32.128 30.300 -0.424 0.000 1.183 541 R HN 0.975 nan 8.270 nan 0.000 0.456 542 E N 1.414 121.584 120.200 -0.049 0.000 2.047 542 E HA -0.198 4.151 4.350 -0.000 0.000 0.191 542 E C 0.725 177.294 176.600 -0.052 0.000 0.987 542 E CA 1.779 58.155 56.400 -0.040 0.000 0.799 542 E CB 0.255 29.936 29.700 -0.033 0.000 0.752 542 E HN 0.630 nan 8.360 nan 0.000 0.449 543 D N -0.116 120.232 120.400 -0.085 0.000 2.363 543 D HA -0.039 4.600 4.640 -0.000 0.000 0.220 543 D C -0.113 176.115 176.300 -0.121 0.000 0.994 543 D CA 0.476 54.416 54.000 -0.101 0.000 0.890 543 D CB 0.024 40.753 40.800 -0.119 0.000 0.906 543 D HN 0.191 nan 8.370 nan 0.000 0.530 544 E N -0.122 120.008 120.200 -0.116 0.000 2.356 544 E HA 0.248 4.598 4.350 -0.000 0.000 0.275 544 E C -0.710 175.962 176.600 0.120 0.000 0.904 544 E CA -0.849 55.523 56.400 -0.046 0.000 0.757 544 E CB 1.989 31.593 29.700 -0.159 0.000 1.232 544 E HN -0.040 nan 8.360 nan 0.000 0.442 545 E N 0.669 120.941 120.200 0.120 0.000 2.319 545 E HA 0.535 4.885 4.350 -0.000 0.000 0.268 545 E C 0.369 177.035 176.600 0.109 0.000 1.050 545 E CA 0.103 56.566 56.400 0.105 0.000 0.878 545 E CB 1.526 31.246 29.700 0.033 0.000 1.066 545 E HN 0.778 nan 8.360 nan 0.000 0.406 546 G N 0.675 109.493 108.800 0.029 0.000 2.525 546 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.685 546 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.685 546 G C -1.139 173.646 174.900 -0.192 0.000 1.290 546 G CA -0.900 44.104 45.100 -0.161 0.000 0.915 546 G HN 0.336 nan 8.290 nan 0.000 0.548 547 L N -0.249 120.765 121.223 -0.348 0.000 2.317 547 L HA 0.801 5.140 4.340 -0.000 0.000 0.281 547 L C -0.347 176.273 176.870 -0.417 0.000 1.024 547 L CA -0.738 53.991 54.840 -0.184 0.000 0.810 547 L CB 1.395 43.407 42.059 -0.077 0.000 1.240 547 L HN 0.459 nan 8.230 nan 0.000 0.427 548 F N 2.127 122.111 119.950 0.055 0.000 2.611 548 F HA 0.586 5.113 4.527 -0.000 0.000 0.324 548 F C -2.123 173.725 175.800 0.080 0.000 1.061 548 F CA -2.453 55.600 58.000 0.088 0.000 0.954 548 F CB 1.232 40.310 39.000 0.129 0.000 1.301 548 F HN 0.253 nan 8.300 nan 0.000 0.482 549 P HA 0.234 nan 4.420 nan 0.000 0.272 549 P C -0.750 176.643 177.300 0.154 0.000 1.223 549 P CA 0.175 63.372 63.100 0.162 0.000 0.784 549 P CB 1.196 32.962 31.700 0.110 0.000 0.923 550 I N 1.326 121.967 120.570 0.118 0.000 2.362 550 I HA 0.552 4.721 4.170 -0.000 0.000 0.289 550 I C 0.807 176.970 176.117 0.076 0.000 0.994 550 I CA 0.001 61.382 61.300 0.136 0.000 1.158 550 I CB 0.962 39.039 38.000 0.129 0.000 1.315 550 I HN 0.661 nan 8.210 nan 0.000 0.451 551 G N 3.849 112.642 108.800 -0.011 0.000 2.707 551 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.686 551 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.686 551 G C 0.528 175.278 174.900 -0.251 0.000 1.315 551 G CA -0.387 44.624 45.100 -0.148 0.000 0.832 551 G HN 0.890 nan 8.290 nan 0.000 0.573 552 G N -0.963 107.662 108.800 -0.291 0.000 2.402 552 G HA2 0.127 4.087 3.960 -0.000 0.000 0.216 552 G HA3 0.127 4.087 3.960 -0.000 0.000 0.216 552 G C 1.977 176.703 174.900 -0.289 0.000 1.162 552 G CA 2.369 47.294 45.100 -0.291 0.000 0.777 552 G HN 1.439 nan 8.290 nan 0.000 0.539 553 V N 2.205 121.912 119.914 -0.345 0.000 2.231 553 V HA -0.156 3.963 4.120 -0.000 0.000 0.248 553 V C 0.450 176.267 176.094 -0.463 0.000 1.054 553 V CA 2.477 64.489 62.300 -0.481 0.000 1.015 553 V CB -1.309 30.045 31.823 -0.781 0.000 0.638 553 V HN 0.294 nan 8.190 nan 0.000 0.444 554 P HA -0.159 nan 4.420 nan 0.000 0.216 554 P C 1.894 179.106 177.300 -0.147 0.000 1.150 554 P CA 1.205 64.168 63.100 -0.228 0.000 0.837 554 P CB -0.087 31.556 31.700 -0.095 0.000 0.786 555 L N -0.275 120.853 121.223 -0.158 0.000 2.017 555 L HA -0.034 4.305 4.340 -0.000 0.000 0.208 555 L C 2.258 179.009 176.870 -0.199 0.000 1.073 555 L CA 2.420 57.172 54.840 -0.147 0.000 0.745 555 L CB -1.654 40.318 42.059 -0.145 0.000 0.894 555 L HN -0.047 nan 8.230 nan 0.000 0.432 556 G N -0.312 108.362 108.800 -0.209 0.000 2.421 556 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 556 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 556 G C 1.660 176.460 174.900 -0.167 0.000 1.171 556 G CA 1.097 46.077 45.100 -0.199 0.000 0.775 556 G HN 0.468 nan 8.290 nan 0.000 0.543 557 I N 0.549 121.030 120.570 -0.147 0.000 2.163 557 I HA -0.218 3.951 4.170 -0.000 0.000 0.243 557 I C 2.687 178.777 176.117 -0.046 0.000 1.085 557 I CA 1.744 63.005 61.300 -0.065 0.000 1.347 557 I CB -0.264 37.725 38.000 -0.019 0.000 1.044 557 I HN 0.336 nan 8.210 nan 0.000 0.408 558 E N 1.468 121.627 120.200 -0.069 0.000 2.058 558 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 558 E C 2.301 178.821 176.600 -0.133 0.000 0.997 558 E CA 1.512 57.880 56.400 -0.054 0.000 0.801 558 E CB -0.057 29.621 29.700 -0.037 0.000 0.746 558 E HN 0.470 nan 8.360 nan 0.000 0.450 559 I N 0.739 121.129 120.570 -0.300 0.000 2.252 559 I HA -0.240 3.929 4.170 -0.000 0.000 0.245 559 I C 2.565 178.616 176.117 -0.110 0.000 1.102 559 I CA 0.929 62.012 61.300 -0.362 0.000 1.385 559 I CB -0.330 37.436 38.000 -0.391 0.000 1.064 559 I HN 0.206 nan 8.210 nan 0.000 0.414 560 A N 0.488 123.266 122.820 -0.071 0.000 1.873 560 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 560 A C 1.973 179.601 177.584 0.073 0.000 1.186 560 A CA 1.904 53.938 52.037 -0.004 0.000 0.616 560 A CB -0.551 18.427 19.000 -0.036 0.000 0.823 560 A HN 0.306 nan 8.150 nan 0.000 0.442 561 D N -0.591 119.848 120.400 0.064 0.000 2.123 561 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 561 D C 1.896 178.292 176.300 0.162 0.000 0.992 561 D CA 1.560 55.634 54.000 0.123 0.000 0.833 561 D CB -0.331 40.527 40.800 0.096 0.000 0.954 561 D HN 0.742 nan 8.370 nan 0.000 0.455 562 E N 0.424 120.695 120.200 0.118 0.000 2.017 562 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 562 E C 2.338 179.020 176.600 0.136 0.000 0.997 562 E CA 0.892 57.369 56.400 0.128 0.000 0.804 562 E CB -0.180 29.611 29.700 0.152 0.000 0.757 562 E HN 0.203 nan 8.360 nan 0.000 0.448 563 I N 0.310 120.964 120.570 0.138 0.000 2.151 563 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 563 I C 2.412 178.620 176.117 0.152 0.000 1.080 563 I CA 1.291 62.679 61.300 0.148 0.000 1.339 563 I CB -0.417 37.669 38.000 0.143 0.000 1.039 563 I HN 0.220 nan 8.210 nan 0.000 0.409 564 F N 2.296 122.272 119.950 0.043 0.000 2.102 564 F HA -0.231 4.295 4.527 -0.001 0.000 0.298 564 F C 2.356 178.180 175.800 0.040 0.000 1.105 564 F CA 1.744 59.767 58.000 0.038 0.000 1.239 564 F CB -0.433 38.591 39.000 0.040 0.000 0.991 564 F HN 0.061 nan 8.300 nan 0.000 0.474 565 N N 0.581 119.370 118.700 0.149 0.000 2.272 565 N HA -0.189 4.550 4.740 -0.000 0.000 0.185 565 N C 0.977 176.466 175.510 -0.034 0.000 1.014 565 N CA 1.261 54.341 53.050 0.049 0.000 0.870 565 N CB -0.658 37.896 38.487 0.112 0.000 0.975 565 N HN 0.470 nan 8.380 nan 0.000 0.433 566 N N 0.028 118.721 118.700 -0.012 0.000 2.270 566 N HA 0.057 4.797 4.740 -0.000 0.000 0.198 566 N C 0.488 175.974 175.510 -0.040 0.000 1.117 566 N CA 0.326 53.369 53.050 -0.011 0.000 0.845 566 N CB 0.573 39.079 38.487 0.032 0.000 0.980 566 N HN 0.185 nan 8.380 nan 0.000 0.486 567 G N 1.817 110.538 108.800 -0.131 0.000 2.283 567 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.280 567 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.280 567 G C 0.228 175.102 174.900 -0.043 0.000 1.029 567 G CA 0.513 45.520 45.100 -0.155 0.000 0.840 567 G HN 0.438 nan 8.290 nan 0.000 0.505 568 L N -2.114 119.124 121.223 0.024 0.000 3.453 568 L HA -0.118 4.222 4.340 -0.000 0.000 0.650 568 L C 0.354 177.371 176.870 0.244 0.000 1.276 568 L CA 1.776 56.709 54.840 0.155 0.000 1.063 568 L CB -1.053 41.050 42.059 0.074 0.000 1.664 568 L HN 0.820 nan 8.230 nan 0.000 0.878 569 K N 3.300 123.789 120.400 0.147 0.000 2.207 569 K HA 0.753 5.073 4.320 -0.000 0.000 0.255 569 K C -2.490 174.059 176.600 -0.085 0.000 0.941 569 K CA -2.126 54.136 56.287 -0.041 0.000 0.825 569 K CB 1.799 34.282 32.500 -0.029 0.000 1.119 569 K HN 0.100 nan 8.250 nan 0.000 0.430 570 P HA -0.014 nan 4.420 nan 0.000 0.268 570 P C -0.915 176.397 177.300 0.020 0.000 1.208 570 P CA -0.027 62.915 63.100 -0.264 0.000 0.777 570 P CB 0.446 31.926 31.700 -0.368 0.000 0.875 571 T N 4.976 119.627 114.554 0.161 0.000 2.853 571 T HA 0.160 4.509 4.350 -0.000 0.000 0.298 571 T C -2.032 172.709 174.700 0.069 0.000 0.978 571 T CA -0.812 61.373 62.100 0.143 0.000 1.152 571 T CB -0.451 68.538 68.868 0.202 0.000 0.914 571 T HN 0.348 nan 8.240 nan 0.000 0.539 572 P HA 0.072 nan 4.420 nan 0.000 0.262 572 P C -1.845 175.442 177.300 -0.021 0.000 1.199 572 P CA -1.372 61.700 63.100 -0.046 0.000 0.763 572 P CB 0.378 32.057 31.700 -0.035 0.000 0.790 573 P HA -0.188 nan 4.420 nan 0.000 0.222 573 P C 0.869 178.168 177.300 -0.001 0.000 1.142 573 P CA 1.473 64.567 63.100 -0.009 0.000 0.788 573 P CB 0.174 31.827 31.700 -0.078 0.000 0.767 574 E N 0.616 120.804 120.200 -0.020 0.000 2.107 574 E HA -0.093 4.256 4.350 -0.000 0.000 0.191 574 E C 2.029 178.638 176.600 0.015 0.000 0.982 574 E CA 0.940 57.336 56.400 -0.006 0.000 0.809 574 E CB -0.858 28.833 29.700 -0.016 0.000 0.756 574 E HN 0.455 nan 8.360 nan 0.000 0.459 575 I N -1.374 119.213 120.570 0.027 0.000 3.812 575 I HA 0.091 4.260 4.170 -0.000 0.000 0.320 575 I C 0.131 176.285 176.117 0.061 0.000 1.276 575 I CA -0.289 61.039 61.300 0.047 0.000 1.164 575 I CB 0.139 38.172 38.000 0.056 0.000 1.009 575 I HN -0.158 nan 8.210 nan 0.000 0.431 576 Q N 2.639 122.471 119.800 0.053 0.000 2.354 576 Q HA 0.420 4.760 4.340 -0.000 0.000 0.244 576 Q C -1.910 174.108 176.000 0.031 0.000 0.969 576 Q CA -1.296 54.538 55.803 0.051 0.000 0.885 576 Q CB 0.565 29.338 28.738 0.058 0.000 1.241 576 Q HN 0.219 nan 8.270 nan 0.000 0.461 577 P HA 0.000 nan 4.420 nan 0.000 0.216 577 P CA 0.000 63.101 63.100 0.002 0.000 0.800 577 P CB 0.000 31.685 31.700 -0.025 0.000 0.726