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 1vng_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 WEFEFWRPLS GVRDDGRPDH GDPFWLTLGA PATNTNDIPF KPPFPAYPSG DATA SEQUENCE AATFGGAVFQ 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 0.000 176.095 176.094 0.002 0.000 1.182 4 V CA 0.000 62.303 62.300 0.006 0.000 1.235 4 V CB 0.000 31.830 31.823 0.011 0.000 1.184 5 T N 4.454 119.006 114.554 -0.005 0.000 2.794 5 T HA 0.532 4.882 4.350 -0.000 0.000 0.296 5 T C -2.502 172.196 174.700 -0.004 0.000 0.949 5 T CA -0.496 61.599 62.100 -0.008 0.000 1.101 5 T CB 0.954 69.811 68.868 -0.019 0.000 0.905 5 T HN 0.769 nan 8.240 nan 0.000 0.516 6 P HA 0.195 nan 4.420 nan 0.000 0.271 6 P C -0.174 177.129 177.300 0.005 0.000 1.216 6 P CA -0.336 62.766 63.100 0.004 0.000 0.771 6 P CB 0.330 32.033 31.700 0.006 0.000 0.864 7 I N 5.492 126.070 120.570 0.014 0.000 2.517 7 I HA 0.086 4.256 4.170 -0.000 0.000 0.285 7 I C -1.818 174.317 176.117 0.030 0.000 1.106 7 I CA -1.744 59.576 61.300 0.033 0.000 1.402 7 I CB 0.366 38.403 38.000 0.061 0.000 1.399 7 I HN 0.162 nan 8.210 nan 0.000 0.535 8 P HA 0.212 nan 4.420 nan 0.000 0.273 8 P C -0.658 176.663 177.300 0.035 0.000 1.319 8 P CA -0.132 62.983 63.100 0.025 0.000 0.885 8 P CB 0.186 31.896 31.700 0.017 0.000 1.015 9 L N 6.130 127.365 121.223 0.021 0.000 2.367 9 L HA 0.308 4.648 4.340 -0.000 0.000 0.275 9 L C -1.263 175.611 176.870 0.006 0.000 1.129 9 L CA -1.812 53.034 54.840 0.010 0.000 0.839 9 L CB 0.029 42.087 42.059 -0.003 0.000 1.133 9 L HN 0.231 nan 8.230 nan 0.000 0.453 10 P HA 0.103 nan 4.420 nan 0.000 0.274 10 P C -0.833 176.462 177.300 -0.008 0.000 1.237 10 P CA -0.664 62.430 63.100 -0.010 0.000 0.793 10 P CB 0.871 32.554 31.700 -0.028 0.000 0.977 11 K N 1.341 121.735 120.400 -0.009 0.000 2.355 11 K HA 0.227 4.547 4.320 -0.000 0.000 0.270 11 K C -0.187 176.404 176.600 -0.014 0.000 1.003 11 K CA 0.051 56.333 56.287 -0.008 0.000 0.957 11 K CB -0.348 32.143 32.500 -0.015 0.000 0.939 11 K HN 0.340 nan 8.250 nan 0.000 0.482 12 I N 3.176 123.741 120.570 -0.009 0.000 2.396 12 I HA 0.091 4.261 4.170 -0.000 0.000 0.292 12 I C -0.012 176.081 176.117 -0.040 0.000 0.999 12 I CA -0.405 60.888 61.300 -0.011 0.000 1.310 12 I CB 1.260 39.269 38.000 0.014 0.000 1.404 12 I HN 0.517 nan 8.210 nan 0.000 0.496 13 D N 7.541 127.922 120.400 -0.032 0.000 2.508 13 D HA 0.115 4.755 4.640 -0.000 0.000 0.224 13 D C -0.100 176.151 176.300 -0.082 0.000 1.171 13 D CA 0.567 54.542 54.000 -0.043 0.000 1.006 13 D CB 0.398 41.190 40.800 -0.013 0.000 1.073 13 D HN 0.548 nan 8.370 nan 0.000 0.513 14 E N 2.110 122.217 120.200 -0.155 0.000 2.378 14 E HA 0.307 4.657 4.350 -0.000 0.000 0.283 14 E C -2.922 173.446 176.600 -0.386 0.000 0.979 14 E CA -1.865 54.338 56.400 -0.328 0.000 0.795 14 E CB 1.775 31.256 29.700 -0.365 0.000 1.221 14 E HN -0.115 nan 8.360 nan 0.000 0.428 15 P HA 0.049 nan 4.420 nan 0.000 0.264 15 P C -0.155 176.989 177.300 -0.260 0.000 1.193 15 P CA 0.194 63.109 63.100 -0.309 0.000 0.763 15 P CB 0.556 32.139 31.700 -0.196 0.000 0.810 16 E N 2.252 122.385 120.200 -0.113 0.000 2.333 16 E HA -0.220 4.130 4.350 -0.000 0.000 0.198 16 E C 1.442 178.052 176.600 0.018 0.000 1.007 16 E CA 0.821 57.184 56.400 -0.062 0.000 0.845 16 E CB 0.110 29.785 29.700 -0.043 0.000 0.766 16 E HN 0.686 nan 8.360 nan 0.000 0.507 17 E N 0.239 120.489 120.200 0.083 0.000 2.153 17 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 17 E C 1.325 178.065 176.600 0.232 0.000 0.988 17 E CA 0.871 57.360 56.400 0.148 0.000 0.811 17 E CB -0.439 29.362 29.700 0.169 0.000 0.746 17 E HN 0.257 nan 8.360 nan 0.000 0.466 18 Y N 2.070 122.366 120.300 -0.006 0.000 2.069 18 Y HA -0.194 4.356 4.550 -0.000 0.000 0.278 18 Y C 1.919 177.815 175.900 -0.007 0.000 1.175 18 Y CA 1.316 59.408 58.100 -0.014 0.000 1.134 18 Y CB -0.838 37.594 38.460 -0.046 0.000 0.965 18 Y HN 0.122 nan 8.280 nan 0.000 0.498 19 N N -0.288 118.503 118.700 0.152 0.000 2.575 19 N HA -0.070 4.670 4.740 -0.000 0.000 0.192 19 N C 1.547 177.104 175.510 0.079 0.000 1.200 19 N CA 1.115 54.232 53.050 0.111 0.000 0.897 19 N CB -0.510 38.011 38.487 0.057 0.000 0.990 19 N HN 0.562 nan 8.380 nan 0.000 0.449 20 T N -3.280 111.319 114.554 0.075 0.000 3.043 20 T HA -0.018 4.332 4.350 -0.000 0.000 0.263 20 T C 0.771 175.520 174.700 0.082 0.000 1.094 20 T CA -0.028 62.101 62.100 0.048 0.000 1.127 20 T CB 0.177 69.079 68.868 0.056 0.000 0.905 20 T HN 0.022 nan 8.240 nan 0.000 0.490 21 N N 0.909 119.674 118.700 0.108 0.000 2.444 21 N HA 0.058 4.798 4.740 -0.000 0.000 0.271 21 N C 0.868 176.457 175.510 0.131 0.000 1.069 21 N CA -0.451 52.661 53.050 0.105 0.000 0.965 21 N CB 1.034 39.617 38.487 0.160 0.000 1.092 21 N HN 0.473 nan 8.380 nan 0.000 0.476 22 Y N 3.921 124.305 120.300 0.141 0.000 2.333 22 Y HA -0.057 4.493 4.550 -0.000 0.000 0.290 22 Y C 1.728 177.798 175.900 0.283 0.000 1.144 22 Y CA 0.552 58.761 58.100 0.183 0.000 1.228 22 Y CB -0.155 38.445 38.460 0.234 0.000 0.985 22 Y HN 0.371 nan 8.280 nan 0.000 0.542 23 I N 1.004 121.593 120.570 0.033 0.000 2.202 23 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 23 I C 2.447 178.619 176.117 0.091 0.000 1.091 23 I CA 1.284 62.661 61.300 0.128 0.000 1.368 23 I CB -1.174 36.843 38.000 0.028 0.000 1.058 23 I HN 0.392 nan 8.210 nan 0.000 0.410 24 L N -0.345 120.891 121.223 0.022 0.000 2.083 24 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 24 L C 2.649 179.521 176.870 0.002 0.000 1.083 24 L CA 1.218 56.005 54.840 -0.088 0.000 0.752 24 L CB -0.708 41.299 42.059 -0.087 0.000 0.899 24 L HN 0.123 nan 8.230 nan 0.000 0.433 25 F N 0.093 119.994 119.950 -0.081 0.000 2.095 25 F HA -0.246 4.281 4.527 -0.000 0.000 0.298 25 F C 2.027 177.718 175.800 -0.181 0.000 1.104 25 F CA 1.536 59.426 58.000 -0.182 0.000 1.232 25 F CB -0.524 38.258 39.000 -0.363 0.000 0.987 25 F HN -0.019 nan 8.300 nan 0.000 0.475 26 W N 0.753 122.052 121.300 -0.002 0.000 2.425 26 W HA -0.146 4.514 4.660 -0.000 0.000 0.277 26 W C 2.587 178.984 176.519 -0.203 0.000 1.231 26 W CA 0.994 58.254 57.345 -0.142 0.000 1.248 26 W CB -0.696 28.766 29.460 0.003 0.000 1.117 26 W HN 0.128 nan 8.180 nan 0.000 0.568 27 N N 0.337 119.048 118.700 0.018 0.000 2.142 27 N HA -0.265 4.475 4.740 -0.000 0.000 0.186 27 N C 1.728 177.211 175.510 -0.046 0.000 1.023 27 N CA 1.842 54.886 53.050 -0.010 0.000 0.852 27 N CB -0.425 37.904 38.487 -0.263 0.000 0.998 27 N HN 0.282 nan 8.380 nan 0.000 0.424 28 H N 0.732 119.683 119.070 -0.198 0.000 2.352 28 H HA -0.031 4.525 4.556 -0.000 0.000 0.299 28 H C 2.038 177.216 175.328 -0.249 0.000 1.097 28 H CA 2.099 58.019 56.048 -0.215 0.000 1.311 28 H CB -0.309 29.296 29.762 -0.262 0.000 1.377 28 H HN 0.009 nan 8.280 nan 0.000 0.504 29 V N 0.362 119.963 119.914 -0.522 0.000 2.407 29 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 29 V C 2.755 178.695 176.094 -0.257 0.000 1.055 29 V CA 1.775 63.799 62.300 -0.461 0.000 1.049 29 V CB -1.198 30.454 31.823 -0.286 0.000 0.662 29 V HN 0.749 nan 8.190 nan 0.000 0.455 30 G N -0.239 108.482 108.800 -0.133 0.000 2.422 30 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 30 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 30 G C 1.544 176.397 174.900 -0.079 0.000 1.146 30 G CA 0.732 45.801 45.100 -0.052 0.000 0.769 30 G HN 0.469 nan 8.290 nan 0.000 0.547 31 L N 0.061 121.213 121.223 -0.119 0.000 2.109 31 L HA 0.007 4.347 4.340 -0.000 0.000 0.207 31 L C 2.865 179.642 176.870 -0.155 0.000 1.086 31 L CA 0.771 55.553 54.840 -0.097 0.000 0.760 31 L CB -0.342 41.681 42.059 -0.060 0.000 0.910 31 L HN 0.157 nan 8.230 nan 0.000 0.437 32 E N 0.537 120.563 120.200 -0.290 0.000 2.072 32 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 32 E C 2.374 178.841 176.600 -0.220 0.000 0.985 32 E CA 1.068 57.301 56.400 -0.278 0.000 0.801 32 E CB -0.198 29.266 29.700 -0.393 0.000 0.750 32 E HN 0.483 nan 8.360 nan 0.000 0.452 33 L N 1.615 122.676 121.223 -0.271 0.000 2.083 33 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 33 L C 2.505 179.218 176.870 -0.261 0.000 1.083 33 L CA 0.915 55.510 54.840 -0.408 0.000 0.752 33 L CB -0.580 41.045 42.059 -0.724 0.000 0.899 33 L HN 0.162 nan 8.230 nan 0.000 0.433 34 N N 1.625 120.273 118.700 -0.087 0.000 2.043 34 N HA -0.246 4.493 4.740 -0.000 0.000 0.193 34 N C 2.041 177.642 175.510 0.152 0.000 1.037 34 N CA 2.138 55.241 53.050 0.089 0.000 0.851 34 N CB -0.017 38.511 38.487 0.069 0.000 1.027 34 N HN 0.423 nan 8.380 nan 0.000 0.422 35 R N 0.107 120.620 120.500 0.022 0.000 2.115 35 R HA 0.023 4.363 4.340 -0.000 0.000 0.230 35 R C 2.208 178.506 176.300 -0.004 0.000 1.111 35 R CA 1.207 57.309 56.100 0.003 0.000 0.976 35 R CB -0.593 29.669 30.300 -0.063 0.000 0.870 35 R HN -0.004 nan 8.270 nan 0.000 0.445 36 V N 1.038 120.920 119.914 -0.054 0.000 2.358 36 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 36 V C 2.455 178.512 176.094 -0.062 0.000 1.047 36 V CA 2.259 64.518 62.300 -0.068 0.000 1.035 36 V CB -0.518 31.240 31.823 -0.107 0.000 0.658 36 V HN 0.533 nan 8.190 nan 0.000 0.452 37 T N -0.950 113.555 114.554 -0.082 0.000 2.881 37 T HA -0.219 4.130 4.350 -0.000 0.000 0.270 37 T C 1.635 176.230 174.700 -0.175 0.000 1.068 37 T CA 1.759 63.792 62.100 -0.111 0.000 1.131 37 T CB -0.296 68.542 68.868 -0.051 0.000 0.871 37 T HN 0.698 nan 8.240 nan 0.000 0.479 38 H N -0.363 118.680 119.070 -0.044 0.000 2.548 38 H HA 0.184 4.740 4.556 -0.000 0.000 0.268 38 H C 2.350 177.636 175.328 -0.071 0.000 0.975 38 H CA 1.260 57.277 56.048 -0.051 0.000 1.195 38 H CB 0.201 29.925 29.762 -0.064 0.000 1.397 38 H HN 0.278 nan 8.280 nan 0.000 0.572 39 T N -0.532 114.026 114.554 0.007 0.000 2.939 39 T HA -0.051 4.299 4.350 -0.000 0.000 0.254 39 T C 2.031 176.732 174.700 0.000 0.000 1.041 39 T CA 1.178 63.259 62.100 -0.032 0.000 1.142 39 T CB -0.071 68.765 68.868 -0.054 0.000 0.874 39 T HN 0.344 nan 8.240 nan 0.000 0.452 40 V N -1.059 118.844 119.914 -0.017 0.000 3.650 40 V HA 0.573 4.693 4.120 -0.000 0.000 0.271 40 V C 1.283 177.343 176.094 -0.056 0.000 1.281 40 V CA 0.202 62.488 62.300 -0.024 0.000 1.120 40 V CB -0.885 30.915 31.823 -0.038 0.000 0.856 40 V HN 0.520 nan 8.190 nan 0.000 0.443 41 G N 0.143 108.901 108.800 -0.071 0.000 2.326 41 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.286 41 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.286 41 G C 0.379 175.198 174.900 -0.134 0.000 1.096 41 G CA 0.240 45.289 45.100 -0.086 0.000 1.003 41 G HN 1.223 nan 8.290 nan 0.000 0.503 42 G N 0.092 108.800 108.800 -0.154 0.000 2.641 42 G HA2 0.853 4.813 3.960 -0.000 0.000 0.239 42 G HA3 0.853 4.813 3.960 -0.000 0.000 0.239 42 G C -1.781 173.046 174.900 -0.121 0.000 1.402 42 G CA -0.496 44.492 45.100 -0.186 0.000 1.046 42 G HN 0.395 nan 8.290 nan 0.000 0.565 43 P HA 0.270 nan 4.420 nan 0.000 0.276 43 P C 0.134 177.406 177.300 -0.046 0.000 1.261 43 P CA -0.202 62.883 63.100 -0.025 0.000 0.800 43 P CB 1.118 32.835 31.700 0.029 0.000 1.066 44 L N -2.601 118.568 121.223 -0.091 0.000 3.634 44 L HA -0.187 4.153 4.340 -0.000 0.000 0.423 44 L C 0.673 177.492 176.870 -0.086 0.000 1.253 44 L CA 0.535 55.314 54.840 -0.102 0.000 0.885 44 L CB -2.693 39.265 42.059 -0.169 0.000 1.789 44 L HN 0.574 nan 8.230 nan 0.000 0.904 45 T N -2.251 112.226 114.554 -0.128 0.000 2.902 45 T HA 0.751 5.101 4.350 -0.000 0.000 0.280 45 T C 0.718 175.457 174.700 0.066 0.000 0.992 45 T CA 0.014 61.986 62.100 -0.214 0.000 1.015 45 T CB 2.181 70.874 68.868 -0.291 0.000 1.044 45 T HN 1.302 nan 8.240 nan 0.000 0.520 46 G N 1.716 110.654 108.800 0.231 0.000 2.690 46 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.686 46 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.686 46 G C -2.446 172.467 174.900 0.021 0.000 1.277 46 G CA -0.461 44.640 45.100 0.001 0.000 0.799 46 G HN 0.607 nan 8.290 nan 0.000 0.613 47 P HA -0.025 nan 4.420 nan 0.000 0.211 47 P C -0.645 176.579 177.300 -0.126 0.000 1.179 47 P CA 2.899 65.985 63.100 -0.024 0.000 0.910 47 P CB -0.400 31.405 31.700 0.175 0.000 0.785 48 P HA -0.125 nan 4.420 nan 0.000 0.216 48 P C 1.683 178.753 177.300 -0.382 0.000 1.153 48 P CA 1.600 64.414 63.100 -0.477 0.000 0.848 48 P CB -0.437 30.631 31.700 -1.053 0.000 0.787 49 L N 0.286 121.243 121.223 -0.444 0.000 2.156 49 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 49 L C 2.888 179.671 176.870 -0.146 0.000 1.095 49 L CA 1.803 56.457 54.840 -0.311 0.000 0.770 49 L CB -1.035 40.842 42.059 -0.303 0.000 0.914 49 L HN 0.100 nan 8.230 nan 0.000 0.439 50 S N 0.018 115.664 115.700 -0.090 0.000 2.423 50 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 50 S C 2.115 176.672 174.600 -0.072 0.000 1.014 50 S CA 0.744 58.938 58.200 -0.010 0.000 0.965 50 S CB -0.290 62.959 63.200 0.082 0.000 0.785 50 S HN 0.344 nan 8.310 nan 0.000 0.495 51 A N 2.322 125.048 122.820 -0.156 0.000 1.897 51 A HA 0.080 4.400 4.320 -0.000 0.000 0.215 51 A C 2.305 179.812 177.584 -0.130 0.000 1.181 51 A CA 1.184 53.108 52.037 -0.189 0.000 0.620 51 A CB -0.709 18.138 19.000 -0.255 0.000 0.821 51 A HN 0.511 nan 8.150 nan 0.000 0.443 52 R N -0.282 120.138 120.500 -0.133 0.000 2.091 52 R HA -0.164 4.176 4.340 -0.000 0.000 0.238 52 R C 2.268 178.573 176.300 0.007 0.000 1.136 52 R CA 1.476 57.502 56.100 -0.123 0.000 0.959 52 R CB -0.385 29.881 30.300 -0.058 0.000 0.856 52 R HN 0.463 nan 8.270 nan 0.000 0.437 53 A N 0.835 123.657 122.820 0.004 0.000 1.902 53 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 53 A C 2.162 179.791 177.584 0.075 0.000 1.181 53 A CA 1.238 53.300 52.037 0.041 0.000 0.623 53 A CB -0.478 18.545 19.000 0.038 0.000 0.818 53 A HN 0.338 nan 8.150 nan 0.000 0.443 54 L N -0.894 120.369 121.223 0.068 0.000 2.093 54 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 54 L C 2.831 179.795 176.870 0.157 0.000 1.085 54 L CA 0.930 55.844 54.840 0.123 0.000 0.755 54 L CB -0.762 41.361 42.059 0.106 0.000 0.904 54 L HN 0.489 nan 8.230 nan 0.000 0.435 55 G N -0.225 108.630 108.800 0.091 0.000 2.418 55 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.217 55 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.217 55 G C 1.638 176.654 174.900 0.193 0.000 1.158 55 G CA 0.649 45.828 45.100 0.132 0.000 0.771 55 G HN 0.176 nan 8.290 nan 0.000 0.545 56 M N -0.360 119.370 119.600 0.217 0.000 2.117 56 M HA 0.031 4.511 4.480 -0.000 0.000 0.262 56 M C 2.436 178.681 176.300 -0.090 0.000 1.065 56 M CA 0.961 56.301 55.300 0.066 0.000 1.114 56 M CB -0.342 32.337 32.600 0.133 0.000 1.361 56 M HN 0.284 nan 8.290 nan 0.000 0.408 57 L N -0.042 121.149 121.223 -0.053 0.000 1.989 57 L HA -0.244 4.096 4.340 -0.000 0.000 0.211 57 L C 2.404 179.102 176.870 -0.286 0.000 1.071 57 L CA 2.051 56.789 54.840 -0.170 0.000 0.749 57 L CB -0.989 40.962 42.059 -0.179 0.000 0.890 57 L HN 0.317 nan 8.230 nan 0.000 0.431 58 H N -0.809 118.229 119.070 -0.053 0.000 2.495 58 H HA -0.003 4.553 4.556 -0.000 0.000 0.287 58 H C 2.327 177.592 175.328 -0.106 0.000 1.033 58 H CA 1.512 57.543 56.048 -0.029 0.000 1.307 58 H CB 0.131 29.924 29.762 0.052 0.000 1.401 58 H HN 0.390 nan 8.280 nan 0.000 0.555 59 L N -0.086 120.986 121.223 -0.252 0.000 2.072 59 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 59 L C 2.822 179.246 176.870 -0.744 0.000 1.079 59 L CA 0.781 55.256 54.840 -0.609 0.000 0.752 59 L CB -0.324 41.098 42.059 -1.062 0.000 0.906 59 L HN 0.183 nan 8.230 nan 0.000 0.436 60 A N 0.441 122.827 122.820 -0.723 0.000 1.877 60 A HA -0.209 4.110 4.320 -0.000 0.000 0.216 60 A C 2.172 179.690 177.584 -0.110 0.000 1.186 60 A CA 1.574 53.380 52.037 -0.385 0.000 0.620 60 A CB -0.695 18.172 19.000 -0.222 0.000 0.822 60 A HN 0.336 nan 8.150 nan 0.000 0.443 61 I N -1.235 119.278 120.570 -0.096 0.000 2.163 61 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 61 I C 2.629 178.849 176.117 0.172 0.000 1.085 61 I CA 1.714 63.024 61.300 0.016 0.000 1.347 61 I CB -0.590 37.412 38.000 0.003 0.000 1.044 61 I HN 0.560 nan 8.210 nan 0.000 0.408 62 H N 1.417 120.568 119.070 0.134 0.000 2.265 62 H HA -0.232 4.324 4.556 -0.000 0.000 0.295 62 H C 1.667 177.281 175.328 0.478 0.000 1.084 62 H CA 2.474 58.727 56.048 0.342 0.000 1.261 62 H CB -0.120 29.827 29.762 0.308 0.000 1.360 62 H HN 0.272 nan 8.280 nan 0.000 0.487 63 D N 0.210 120.945 120.400 0.559 0.000 2.178 63 D HA -0.041 4.598 4.640 -0.000 0.000 0.202 63 D C 2.260 178.789 176.300 0.382 0.000 0.974 63 D CA 1.160 55.490 54.000 0.551 0.000 0.841 63 D CB -0.414 40.794 40.800 0.681 0.000 0.953 63 D HN 0.489 nan 8.370 nan 0.000 0.478 64 A N -0.048 122.922 122.820 0.251 0.000 1.858 64 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 64 A C 2.197 179.949 177.584 0.279 0.000 1.190 64 A CA 1.310 53.454 52.037 0.178 0.000 0.617 64 A CB -1.137 17.868 19.000 0.009 0.000 0.827 64 A HN 0.351 nan 8.150 nan 0.000 0.443 65 Y N -0.589 119.756 120.300 0.074 0.000 2.114 65 Y HA -0.210 4.340 4.550 -0.000 0.000 0.284 65 Y C 1.892 177.739 175.900 -0.088 0.000 1.143 65 Y CA 2.074 60.142 58.100 -0.052 0.000 1.135 65 Y CB -0.476 37.835 38.460 -0.249 0.000 0.980 65 Y HN 0.254 nan 8.280 nan 0.000 0.499 66 F N -0.404 119.638 119.950 0.154 0.000 2.451 66 F HA -0.117 4.410 4.527 -0.000 0.000 0.299 66 F C 2.559 178.371 175.800 0.020 0.000 1.101 66 F CA 1.273 59.294 58.000 0.035 0.000 1.436 66 F CB -0.772 38.271 39.000 0.071 0.000 1.074 66 F HN -0.004 nan 8.300 nan 0.000 0.553 67 S N 0.054 115.905 115.700 0.251 0.000 2.371 67 S HA -0.055 4.415 4.470 -0.000 0.000 0.224 67 S C 2.171 176.793 174.600 0.037 0.000 1.029 67 S CA 0.886 59.212 58.200 0.211 0.000 0.978 67 S CB -0.202 63.249 63.200 0.420 0.000 0.833 67 S HN 0.290 nan 8.310 nan 0.000 0.466 68 I N 0.042 120.599 120.570 -0.022 0.000 2.406 68 I HA -0.024 4.146 4.170 -0.000 0.000 0.249 68 I C 0.156 176.174 176.117 -0.165 0.000 1.122 68 I CA 0.573 61.797 61.300 -0.127 0.000 1.431 68 I CB 0.122 38.051 38.000 -0.118 0.000 1.087 68 I HN 0.218 nan 8.210 nan 0.000 0.424 69 C N 2.279 121.424 119.300 -0.259 0.000 2.621 69 C HA 0.373 4.833 4.460 -0.000 0.000 0.272 69 C C -2.265 172.715 174.990 -0.017 0.000 1.119 69 C CA -1.486 57.402 59.018 -0.217 0.000 1.593 69 C CB -0.376 27.097 27.740 -0.446 0.000 1.749 69 C HN 0.069 nan 8.230 nan 0.000 0.420 70 P HA 0.086 nan 4.420 nan 0.000 0.261 70 P C -1.912 175.381 177.300 -0.011 0.000 1.183 70 P CA -0.048 63.071 63.100 0.033 0.000 0.761 70 P CB 0.174 31.866 31.700 -0.013 0.000 0.785 71 P HA 0.112 nan 4.420 nan 0.000 0.276 71 P C 0.297 177.345 177.300 -0.421 0.000 1.261 71 P CA -0.144 62.653 63.100 -0.505 0.000 0.800 71 P CB 0.907 31.635 31.700 -1.620 0.000 1.066 72 T N -3.116 111.204 114.554 -0.390 0.000 3.071 72 T HA 0.053 4.403 4.350 -0.000 0.000 0.239 72 T C 0.878 175.465 174.700 -0.188 0.000 0.997 72 T CA 0.512 62.484 62.100 -0.214 0.000 1.134 72 T CB -0.879 67.927 68.868 -0.104 0.000 0.928 72 T HN 0.207 nan 8.240 nan 0.000 0.453 73 D N 1.284 121.584 120.400 -0.166 0.000 2.340 73 D HA 0.331 4.971 4.640 -0.000 0.000 0.220 73 D C 0.033 176.400 176.300 0.112 0.000 1.039 73 D CA 0.141 54.142 54.000 0.001 0.000 0.866 73 D CB -0.064 40.795 40.800 0.097 0.000 0.913 73 D HN 0.639 nan 8.370 nan 0.000 0.523 74 F N -2.445 117.460 119.950 -0.075 0.000 3.052 74 F HA 0.611 5.138 4.527 -0.000 0.000 0.323 74 F C -0.491 175.266 175.800 -0.072 0.000 1.178 74 F CA -1.184 56.770 58.000 -0.076 0.000 0.892 74 F CB 0.691 39.639 39.000 -0.087 0.000 1.416 74 F HN -0.208 nan 8.300 nan 0.000 0.488 75 T N -2.241 112.461 114.554 0.246 0.000 2.626 75 T HA 0.661 5.011 4.350 -0.000 0.000 0.279 75 T C -0.349 174.571 174.700 0.366 0.000 0.983 75 T CA -0.273 61.911 62.100 0.140 0.000 1.059 75 T CB 0.919 69.849 68.868 0.104 0.000 1.396 75 T HN 1.022 nan 8.240 nan 0.000 0.519 76 T N -0.681 114.069 114.554 0.327 0.000 2.868 76 T HA 0.379 4.729 4.350 -0.000 0.000 0.292 76 T C 0.702 175.691 174.700 0.483 0.000 1.028 76 T CA -0.700 61.703 62.100 0.505 0.000 1.059 76 T CB 0.327 69.446 68.868 0.418 0.000 0.991 76 T HN 0.466 nan 8.240 nan 0.000 0.531 77 F N 1.116 121.308 119.950 0.403 0.000 2.102 77 F HA 0.211 4.738 4.527 -0.000 0.000 0.298 77 F C 0.697 176.640 175.800 0.239 0.000 1.105 77 F CA 1.080 59.247 58.000 0.278 0.000 1.239 77 F CB -0.161 39.035 39.000 0.326 0.000 0.991 77 F HN 0.409 nan 8.300 nan 0.000 0.474 78 L N -0.279 121.150 121.223 0.344 0.000 2.332 78 L HA 0.396 4.736 4.340 -0.000 0.000 0.269 78 L C 0.049 177.001 176.870 0.136 0.000 1.016 78 L CA -0.892 54.024 54.840 0.127 0.000 0.809 78 L CB 1.651 43.736 42.059 0.043 0.000 1.280 78 L HN -0.019 nan 8.230 nan 0.000 0.447 79 S N -0.605 115.141 115.700 0.077 0.000 2.568 79 S HA 0.528 4.998 4.470 -0.000 0.000 0.302 79 S C -2.414 172.226 174.600 0.067 0.000 1.082 79 S CA -1.406 56.841 58.200 0.078 0.000 1.009 79 S CB 2.138 65.366 63.200 0.046 0.000 1.069 79 S HN 0.330 nan 8.310 nan 0.000 0.500 80 P HA 0.099 nan 4.420 nan 0.000 0.229 80 P C -0.026 177.299 177.300 0.041 0.000 1.160 80 P CA 0.776 63.916 63.100 0.066 0.000 0.777 80 P CB 0.021 31.764 31.700 0.072 0.000 0.814 81 D N -1.765 118.654 120.400 0.032 0.000 2.388 81 D HA 0.052 4.692 4.640 -0.000 0.000 0.221 81 D C -0.013 176.294 176.300 0.011 0.000 1.133 81 D CA 0.340 54.351 54.000 0.018 0.000 0.831 81 D CB -0.149 40.658 40.800 0.012 0.000 0.962 81 D HN 0.084 nan 8.370 nan 0.000 0.502 82 T N 1.131 115.695 114.554 0.016 0.000 2.799 82 T HA 0.207 4.557 4.350 -0.000 0.000 0.296 82 T C 1.646 176.352 174.700 0.010 0.000 0.947 82 T CA 0.180 62.285 62.100 0.008 0.000 1.141 82 T CB 1.408 70.293 68.868 0.028 0.000 0.891 82 T HN 0.311 nan 8.240 nan 0.000 0.533 83 E N 3.156 123.354 120.200 -0.003 0.000 2.110 83 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 83 E C 1.106 177.712 176.600 0.011 0.000 0.988 83 E CA 0.828 57.228 56.400 -0.001 0.000 0.804 83 E CB -0.286 29.407 29.700 -0.011 0.000 0.745 83 E HN 0.603 nan 8.360 nan 0.000 0.458 84 N N 0.427 119.137 118.700 0.017 0.000 2.405 84 N HA 0.319 5.059 4.740 -0.000 0.000 0.260 84 N C 1.025 176.584 175.510 0.082 0.000 1.152 84 N CA 0.480 53.563 53.050 0.055 0.000 0.948 84 N CB 1.087 39.617 38.487 0.072 0.000 1.111 84 N HN 0.262 nan 8.380 nan 0.000 0.485 85 A N 4.378 127.228 122.820 0.049 0.000 1.948 85 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 85 A C 2.069 179.657 177.584 0.006 0.000 1.177 85 A CA 1.989 54.041 52.037 0.024 0.000 0.636 85 A CB -0.780 18.226 19.000 0.010 0.000 0.815 85 A HN 0.756 nan 8.150 nan 0.000 0.449 86 A N -2.059 120.773 122.820 0.020 0.000 2.019 86 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 86 A C 1.670 179.114 177.584 -0.232 0.000 1.164 86 A CA 1.390 53.367 52.037 -0.098 0.000 0.644 86 A CB -0.544 18.400 19.000 -0.093 0.000 0.805 86 A HN 0.614 nan 8.150 nan 0.000 0.449 87 Y N -1.150 119.094 120.300 -0.093 0.000 2.555 87 Y HA 0.289 4.839 4.550 -0.000 0.000 0.259 87 Y C 0.884 176.718 175.900 -0.111 0.000 1.179 87 Y CA -0.372 57.657 58.100 -0.119 0.000 1.230 87 Y CB 0.183 38.580 38.460 -0.105 0.000 1.146 87 Y HN 0.158 nan 8.280 nan 0.000 0.526 88 R N 1.418 121.931 120.500 0.022 0.000 2.265 88 R HA 0.329 4.669 4.340 -0.000 0.000 0.314 88 R C -1.053 175.231 176.300 -0.027 0.000 1.053 88 R CA -0.671 55.435 56.100 0.010 0.000 0.931 88 R CB 0.436 30.747 30.300 0.017 0.000 1.024 88 R HN 0.127 nan 8.270 nan 0.000 0.457 89 L N 7.456 128.683 121.223 0.007 0.000 2.326 89 L HA 0.424 4.764 4.340 -0.000 0.000 0.278 89 L C -2.219 174.702 176.870 0.085 0.000 1.092 89 L CA -1.920 52.936 54.840 0.027 0.000 0.810 89 L CB 1.138 43.256 42.059 0.099 0.000 1.153 89 L HN 0.598 nan 8.230 nan 0.000 0.439 90 P HA 0.162 nan 4.420 nan 0.000 0.271 90 P C -1.207 176.288 177.300 0.325 0.000 1.233 90 P CA -0.171 63.041 63.100 0.186 0.000 0.789 90 P CB 0.595 32.395 31.700 0.167 0.000 0.951 91 S N 2.421 118.258 115.700 0.229 0.000 2.508 91 S HA 0.285 4.755 4.470 -0.000 0.000 0.284 91 S C -1.626 172.937 174.600 -0.062 0.000 1.192 91 S CA -0.907 57.353 58.200 0.101 0.000 1.070 91 S CB 0.853 64.073 63.200 0.033 0.000 1.004 91 S HN 0.358 nan 8.310 nan 0.000 0.493 92 P HA -0.031 nan 4.420 nan 0.000 0.216 92 P C -0.361 176.713 177.300 -0.377 0.000 1.153 92 P CA 0.587 63.143 63.100 -0.907 0.000 0.848 92 P CB -0.073 31.169 31.700 -0.762 0.000 0.787 93 N N -0.514 118.061 118.700 -0.208 0.000 2.669 93 N HA -0.191 4.549 4.740 -0.000 0.000 0.266 93 N C 1.112 176.563 175.510 -0.098 0.000 1.024 93 N CA 1.496 54.481 53.050 -0.108 0.000 0.766 93 N CB -1.581 36.874 38.487 -0.053 0.000 0.898 93 N HN 0.443 nan 8.380 nan 0.000 0.548 94 G N -1.536 107.197 108.800 -0.111 0.000 2.399 94 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 94 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 94 G C 0.282 175.125 174.900 -0.094 0.000 1.096 94 G CA 0.383 45.434 45.100 -0.081 0.000 0.650 94 G HN 1.367 nan 8.290 nan 0.000 0.512 95 A N 1.165 123.907 122.820 -0.130 0.000 2.566 95 A HA 0.443 4.763 4.320 -0.000 0.000 0.245 95 A C 0.994 178.499 177.584 -0.131 0.000 1.056 95 A CA 1.659 53.626 52.037 -0.117 0.000 0.757 95 A CB -0.110 18.792 19.000 -0.164 0.000 0.979 95 A HN 1.554 nan 8.150 nan 0.000 0.508 96 N N 0.703 119.363 118.700 -0.067 0.000 2.142 96 N HA 0.071 4.811 4.740 -0.000 0.000 0.233 96 N C -1.017 174.477 175.510 -0.028 0.000 1.335 96 N CA -0.228 52.786 53.050 -0.061 0.000 0.837 96 N CB 0.433 38.890 38.487 -0.050 0.000 1.238 96 N HN 0.463 nan 8.380 nan 0.000 0.501 97 D N 0.874 121.272 120.400 -0.002 0.000 2.467 97 D HA 0.473 5.113 4.640 -0.000 0.000 0.220 97 D C 0.925 177.242 176.300 0.029 0.000 1.103 97 D CA -0.351 53.659 54.000 0.016 0.000 0.886 97 D CB 1.446 42.262 40.800 0.027 0.000 1.025 97 D HN 0.218 nan 8.370 nan 0.000 0.514 98 A N 4.729 127.566 122.820 0.028 0.000 1.940 98 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 98 A C 2.128 179.750 177.584 0.063 0.000 1.176 98 A CA 1.289 53.373 52.037 0.079 0.000 0.631 98 A CB -0.281 18.770 19.000 0.085 0.000 0.814 98 A HN 0.608 nan 8.150 nan 0.000 0.446 99 R N -0.912 119.506 120.500 -0.137 0.000 2.083 99 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 99 R C 2.168 178.339 176.300 -0.214 0.000 1.137 99 R CA 1.817 57.565 56.100 -0.586 0.000 0.951 99 R CB -0.230 29.753 30.300 -0.527 0.000 0.851 99 R HN 0.506 nan 8.270 nan 0.000 0.434 100 Q N -0.228 119.553 119.800 -0.032 0.000 2.123 100 Q HA -0.018 4.322 4.340 -0.000 0.000 0.199 100 Q C 2.042 178.087 176.000 0.074 0.000 0.966 100 Q CA 1.372 57.238 55.803 0.106 0.000 0.845 100 Q CB -0.205 28.628 28.738 0.158 0.000 0.907 100 Q HN 0.435 nan 8.270 nan 0.000 0.439 101 A N 0.533 123.394 122.820 0.068 0.000 1.902 101 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 101 A C 2.449 179.995 177.584 -0.064 0.000 1.181 101 A CA 1.577 53.655 52.037 0.068 0.000 0.623 101 A CB -0.717 18.426 19.000 0.238 0.000 0.818 101 A HN 0.197 nan 8.150 nan 0.000 0.443 102 V N -0.168 119.749 119.914 0.005 0.000 2.295 102 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 102 V C 3.077 178.984 176.094 -0.313 0.000 1.049 102 V CA 1.936 64.221 62.300 -0.024 0.000 1.024 102 V CB -1.233 30.747 31.823 0.261 0.000 0.648 102 V HN 0.630 nan 8.190 nan 0.000 0.447 103 A N 0.472 123.148 122.820 -0.239 0.000 1.883 103 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 103 A C 2.424 179.612 177.584 -0.661 0.000 1.186 103 A CA 2.178 53.981 52.037 -0.390 0.000 0.624 103 A CB -1.317 17.810 19.000 0.212 0.000 0.822 103 A HN 0.540 nan 8.150 nan 0.000 0.444 104 G N -0.680 107.613 108.800 -0.845 0.000 2.421 104 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.216 104 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.216 104 G C 1.780 176.206 174.900 -0.791 0.000 1.171 104 G CA 1.612 45.835 45.100 -1.461 0.000 0.775 104 G HN 0.827 nan 8.290 nan 0.000 0.543 105 A N 1.301 123.791 122.820 -0.550 0.000 1.858 105 A HA 0.209 4.529 4.320 -0.000 0.000 0.216 105 A C 2.866 180.211 177.584 -0.399 0.000 1.190 105 A CA 2.586 54.391 52.037 -0.386 0.000 0.617 105 A CB -1.032 17.805 19.000 -0.271 0.000 0.827 105 A HN 0.862 nan 8.150 nan 0.000 0.443 106 A N -0.421 122.071 122.820 -0.546 0.000 1.865 106 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 106 A C 2.245 179.544 177.584 -0.474 0.000 1.191 106 A CA 1.651 53.339 52.037 -0.583 0.000 0.623 106 A CB -0.737 17.631 19.000 -1.052 0.000 0.826 106 A HN 0.477 nan 8.150 nan 0.000 0.444 107 L N -1.040 119.840 121.223 -0.571 0.000 2.046 107 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 107 L C 2.742 179.511 176.870 -0.168 0.000 1.077 107 L CA 1.491 56.172 54.840 -0.264 0.000 0.747 107 L CB -0.372 41.620 42.059 -0.112 0.000 0.896 107 L HN 0.289 nan 8.230 nan 0.000 0.432 108 K N -0.362 119.896 120.400 -0.237 0.000 2.026 108 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 108 K C 2.077 178.565 176.600 -0.187 0.000 1.048 108 K CA 1.617 57.788 56.287 -0.193 0.000 0.929 108 K CB -0.285 32.080 32.500 -0.224 0.000 0.713 108 K HN 0.098 nan 8.250 nan 0.000 0.439 109 M N 1.119 120.618 119.600 -0.167 0.000 2.067 109 M HA -0.117 4.363 4.480 -0.000 0.000 0.260 109 M C 1.974 178.239 176.300 -0.059 0.000 1.069 109 M CA 1.503 56.743 55.300 -0.099 0.000 1.117 109 M CB -0.587 31.971 32.600 -0.068 0.000 1.334 109 M HN 0.086 nan 8.290 nan 0.000 0.407 110 L N -1.048 120.164 121.223 -0.019 0.000 2.042 110 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 110 L C 2.356 179.308 176.870 0.137 0.000 1.076 110 L CA 1.448 56.360 54.840 0.121 0.000 0.749 110 L CB -0.982 41.146 42.059 0.115 0.000 0.893 110 L HN 0.324 nan 8.230 nan 0.000 0.432 111 S N -0.688 115.024 115.700 0.019 0.000 2.356 111 S HA -0.157 4.313 4.470 -0.000 0.000 0.223 111 S C 2.210 176.757 174.600 -0.088 0.000 1.032 111 S CA 1.510 59.710 58.200 0.001 0.000 1.005 111 S CB -0.111 63.069 63.200 -0.033 0.000 0.867 111 S HN 0.349 nan 8.310 nan 0.000 0.449 112 S N 1.719 117.266 115.700 -0.256 0.000 2.368 112 S HA 0.018 4.488 4.470 -0.000 0.000 0.225 112 S C 1.816 176.203 174.600 -0.354 0.000 1.030 112 S CA 0.942 58.808 58.200 -0.557 0.000 0.999 112 S CB -0.420 62.036 63.200 -1.240 0.000 0.844 112 S HN 0.338 nan 8.310 nan 0.000 0.459 113 L N -0.750 120.384 121.223 -0.148 0.000 2.027 113 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 113 L C 1.773 178.489 176.870 -0.256 0.000 1.074 113 L CA 1.363 56.150 54.840 -0.089 0.000 0.745 113 L CB -0.360 41.577 42.059 -0.203 0.000 0.898 113 L HN 0.347 nan 8.230 nan 0.000 0.433 114 Y N -0.880 119.455 120.300 0.059 0.000 2.457 114 Y HA 0.168 4.718 4.550 0.000 0.000 0.263 114 Y C 1.212 177.194 175.900 0.136 0.000 1.164 114 Y CA -0.608 57.552 58.100 0.099 0.000 1.274 114 Y CB -0.218 38.283 38.460 0.067 0.000 1.097 114 Y HN 0.138 nan 8.280 nan 0.000 0.523 115 M N -0.194 119.484 119.600 0.130 0.000 2.226 115 M HA 0.186 4.666 4.480 -0.000 0.000 0.324 115 M C 0.179 176.384 176.300 -0.159 0.000 1.112 115 M CA -0.298 55.008 55.300 0.011 0.000 1.176 115 M CB 0.687 33.249 32.600 -0.064 0.000 1.430 115 M HN -0.087 nan 8.290 nan 0.000 0.462 116 K N 1.987 122.100 120.400 -0.479 0.000 2.402 116 K HA 0.217 4.537 4.320 -0.000 0.000 0.285 116 K C -2.187 174.166 176.600 -0.411 0.000 1.054 116 K CA -1.377 54.317 56.287 -0.988 0.000 1.001 116 K CB 0.149 32.115 32.500 -0.890 0.000 0.946 116 K HN 0.395 nan 8.250 nan 0.000 0.473 117 P HA -0.028 nan 4.420 nan 0.000 0.235 117 P C 0.296 177.545 177.300 -0.085 0.000 1.720 117 P CA -0.059 62.985 63.100 -0.094 0.000 1.003 117 P CB 0.252 31.950 31.700 -0.004 0.000 1.968 118 V N 0.375 120.224 119.914 -0.108 0.000 2.407 118 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 118 V C 1.789 177.859 176.094 -0.039 0.000 1.055 118 V CA 2.201 64.457 62.300 -0.075 0.000 1.049 118 V CB -1.554 30.222 31.823 -0.077 0.000 0.662 118 V HN 0.388 nan 8.190 nan 0.000 0.455 119 E N -0.094 120.088 120.200 -0.030 0.000 1.896 119 E HA 0.367 4.716 4.350 -0.000 0.000 0.276 119 E C 1.200 177.800 176.600 0.000 0.000 1.171 119 E CA 1.549 57.943 56.400 -0.011 0.000 1.118 119 E CB -1.256 28.443 29.700 -0.003 0.000 1.077 119 E HN 0.888 nan 8.360 nan 0.000 0.452 120 Q N -0.821 118.979 119.800 -0.001 0.000 2.306 120 Q HA -0.370 3.970 4.340 -0.000 0.000 0.179 120 Q C 0.979 176.985 176.000 0.010 0.000 2.892 120 Q CA 2.927 58.733 55.803 0.005 0.000 0.250 120 Q CB -3.239 25.505 28.738 0.009 0.000 0.245 120 Q HN 1.531 nan 8.270 nan 0.000 0.415 121 P HA -0.059 nan 4.420 nan 0.000 0.223 121 P C 1.285 178.601 177.300 0.028 0.000 1.140 121 P CA 3.298 66.413 63.100 0.025 0.000 0.783 121 P CB -1.910 29.812 31.700 0.036 0.000 0.759 122 N N -1.133 117.575 118.700 0.014 0.000 2.149 122 N HA 0.081 4.821 4.740 -0.000 0.000 0.188 122 N C 0.106 175.635 175.510 0.032 0.000 1.019 122 N CA 1.458 54.520 53.050 0.020 0.000 0.857 122 N CB -1.956 36.530 38.487 -0.001 0.000 0.997 122 N HN 0.579 nan 8.380 nan 0.000 0.426 123 P HA 0.466 nan 4.420 nan 0.000 0.279 123 P C 0.822 178.138 177.300 0.027 0.000 1.239 123 P CA 1.381 64.494 63.100 0.022 0.000 0.789 123 P CB -0.018 31.692 31.700 0.017 0.000 0.933 124 N N 0.051 118.766 118.700 0.025 0.000 3.540 124 N HA -0.324 4.416 4.740 -0.000 0.000 0.224 124 N C 0.723 176.254 175.510 0.034 0.000 0.162 124 N CA 3.034 56.101 53.050 0.028 0.000 3.550 124 N CB -2.900 35.606 38.487 0.032 0.000 1.144 124 N HN 0.729 nan 8.380 nan 0.000 0.272 125 P HA 0.243 nan 4.420 nan 0.000 0.211 125 P C 1.968 179.302 177.300 0.058 0.000 1.179 125 P CA 3.981 67.109 63.100 0.047 0.000 0.910 125 P CB -0.966 30.761 31.700 0.046 0.000 0.785 126 G N -1.265 107.581 108.800 0.076 0.000 2.623 126 G HA2 0.280 4.240 3.960 -0.000 0.000 0.214 126 G HA3 0.280 4.240 3.960 -0.000 0.000 0.214 126 G C 1.066 176.027 174.900 0.101 0.000 1.138 126 G CA 0.815 45.991 45.100 0.127 0.000 0.794 126 G HN 0.678 nan 8.290 nan 0.000 0.535 127 A N 0.051 122.906 122.820 0.058 0.000 3.092 127 A HA 0.489 4.809 4.320 -0.000 0.000 0.278 127 A C 1.201 178.786 177.584 0.001 0.000 1.956 127 A CA 1.291 53.347 52.037 0.032 0.000 1.501 127 A CB -1.359 17.651 19.000 0.017 0.000 0.977 127 A HN 0.936 nan 8.150 nan 0.000 0.607 128 N N 0.525 119.228 118.700 0.004 0.000 2.408 128 N HA 0.076 4.816 4.740 -0.000 0.000 0.332 128 N C 0.103 175.589 175.510 -0.039 0.000 0.852 128 N CA 0.156 53.184 53.050 -0.035 0.000 0.870 128 N CB -0.564 37.893 38.487 -0.050 0.000 2.360 128 N HN 0.410 nan 8.380 nan 0.000 1.062 129 I N 3.308 123.858 120.570 -0.032 0.000 2.371 129 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 129 I C 1.083 177.143 176.117 -0.096 0.000 1.028 129 I CA -0.650 60.569 61.300 -0.135 0.000 1.345 129 I CB 1.591 39.413 38.000 -0.297 0.000 1.407 129 I HN 0.551 nan 8.210 nan 0.000 0.501 130 S N 3.643 119.277 115.700 -0.110 0.000 2.589 130 S HA 0.093 4.563 4.470 -0.000 0.000 0.265 130 S C 0.687 175.294 174.600 0.011 0.000 1.342 130 S CA -0.639 57.542 58.200 -0.032 0.000 1.005 130 S CB 1.092 64.272 63.200 -0.033 0.000 0.909 130 S HN 0.572 nan 8.310 nan 0.000 0.555 131 D N 0.863 121.324 120.400 0.102 0.000 2.219 131 D HA -0.102 4.538 4.640 -0.000 0.000 0.205 131 D C 1.715 178.088 176.300 0.122 0.000 0.970 131 D CA 1.208 55.320 54.000 0.187 0.000 0.851 131 D CB -0.565 40.309 40.800 0.124 0.000 0.943 131 D HN 0.755 nan 8.370 nan 0.000 0.488 132 N N 1.214 119.941 118.700 0.046 0.000 2.120 132 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 132 N C 1.710 177.220 175.510 -0.001 0.000 1.024 132 N CA 1.786 54.850 53.050 0.023 0.000 0.852 132 N CB -0.089 38.401 38.487 0.005 0.000 1.003 132 N HN 0.024 nan 8.380 nan 0.000 0.424 133 A N -0.326 122.452 122.820 -0.070 0.000 1.883 133 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 133 A C 1.969 179.484 177.584 -0.116 0.000 1.186 133 A CA 1.527 53.475 52.037 -0.149 0.000 0.624 133 A CB -1.340 17.484 19.000 -0.293 0.000 0.822 133 A HN 0.501 nan 8.150 nan 0.000 0.444 134 Y N -0.137 120.177 120.300 0.024 0.000 2.224 134 Y HA -0.075 4.475 4.550 -0.000 0.000 0.289 134 Y C 2.937 178.849 175.900 0.021 0.000 1.146 134 Y CA 0.638 58.757 58.100 0.032 0.000 1.182 134 Y CB -0.837 37.641 38.460 0.029 0.000 0.983 134 Y HN 0.332 nan 8.280 nan 0.000 0.524 135 A N -0.145 122.772 122.820 0.162 0.000 1.902 135 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 135 A C 2.181 179.798 177.584 0.055 0.000 1.181 135 A CA 1.520 53.612 52.037 0.092 0.000 0.623 135 A CB -0.519 18.520 19.000 0.066 0.000 0.818 135 A HN 0.351 nan 8.150 nan 0.000 0.443 136 Q N -0.202 119.618 119.800 0.033 0.000 2.084 136 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 136 Q C 2.173 178.169 176.000 -0.007 0.000 0.978 136 Q CA 1.379 57.186 55.803 0.007 0.000 0.844 136 Q CB -0.508 28.225 28.738 -0.007 0.000 0.898 136 Q HN 0.731 nan 8.270 nan 0.000 0.426 137 L N -0.412 120.810 121.223 -0.001 0.000 2.093 137 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 137 L C 2.413 179.284 176.870 0.001 0.000 1.085 137 L CA 1.128 55.947 54.840 -0.035 0.000 0.755 137 L CB -0.857 41.201 42.059 -0.001 0.000 0.904 137 L HN 0.257 nan 8.230 nan 0.000 0.435 138 G N 0.235 109.067 108.800 0.053 0.000 2.442 138 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 138 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 138 G C 1.634 176.556 174.900 0.037 0.000 1.141 138 G CA 0.611 45.743 45.100 0.054 0.000 0.763 138 G HN 0.219 nan 8.290 nan 0.000 0.554 139 L N 0.193 121.431 121.223 0.026 0.000 2.012 139 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 139 L C 3.014 179.895 176.870 0.017 0.000 1.073 139 L CA 0.668 55.521 54.840 0.021 0.000 0.748 139 L CB -0.640 41.428 42.059 0.014 0.000 0.891 139 L HN 0.091 nan 8.230 nan 0.000 0.431 140 V N 0.060 119.970 119.914 -0.007 0.000 2.332 140 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 140 V C 2.400 178.501 176.094 0.011 0.000 1.055 140 V CA 1.786 64.072 62.300 -0.024 0.000 1.038 140 V CB -0.436 31.333 31.823 -0.089 0.000 0.651 140 V HN 0.345 nan 8.190 nan 0.000 0.450 141 L N -0.375 120.864 121.223 0.028 0.000 2.093 141 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 141 L C 2.405 179.346 176.870 0.119 0.000 1.085 141 L CA 1.479 56.372 54.840 0.088 0.000 0.755 141 L CB -0.679 41.430 42.059 0.083 0.000 0.904 141 L HN 0.346 nan 8.230 nan 0.000 0.435 142 D N 0.176 120.627 120.400 0.084 0.000 2.097 142 D HA -0.188 4.452 4.640 -0.000 0.000 0.195 142 D C 2.191 178.546 176.300 0.092 0.000 0.989 142 D CA 1.435 55.485 54.000 0.083 0.000 0.827 142 D CB -0.136 40.697 40.800 0.056 0.000 0.966 142 D HN 0.436 nan 8.370 nan 0.000 0.456 143 R N 0.989 121.537 120.500 0.081 0.000 2.189 143 R HA 0.002 4.341 4.340 -0.000 0.000 0.218 143 R C 2.075 178.455 176.300 0.134 0.000 1.074 143 R CA 1.345 57.496 56.100 0.086 0.000 0.991 143 R CB -0.433 29.905 30.300 0.064 0.000 0.883 143 R HN 0.100 nan 8.270 nan 0.000 0.457 144 S N 0.926 116.728 115.700 0.171 0.000 2.383 144 S HA -0.084 4.386 4.470 -0.000 0.000 0.227 144 S C 2.059 176.851 174.600 0.320 0.000 1.026 144 S CA 1.041 59.411 58.200 0.283 0.000 0.981 144 S CB -0.497 62.831 63.200 0.213 0.000 0.818 144 S HN 0.147 nan 8.310 nan 0.000 0.472 145 V N 2.266 122.350 119.914 0.282 0.000 2.392 145 V HA -0.136 3.984 4.120 -0.000 0.000 0.249 145 V C 2.521 178.692 176.094 0.128 0.000 1.059 145 V CA 1.852 64.309 62.300 0.261 0.000 1.051 145 V CB -0.855 31.088 31.823 0.201 0.000 0.658 145 V HN 0.494 nan 8.190 nan 0.000 0.455 146 L N -0.556 120.721 121.223 0.089 0.000 2.156 146 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 146 L C 2.369 179.228 176.870 -0.018 0.000 1.095 146 L CA 1.365 56.224 54.840 0.032 0.000 0.770 146 L CB -0.479 41.601 42.059 0.035 0.000 0.914 146 L HN 0.376 nan 8.230 nan 0.000 0.439 147 E N 0.494 120.686 120.200 -0.013 0.000 2.385 147 E HA 0.110 4.460 4.350 -0.000 0.000 0.194 147 E C 0.902 177.165 176.600 -0.560 0.000 1.013 147 E CA 0.047 56.369 56.400 -0.130 0.000 0.866 147 E CB 0.152 29.899 29.700 0.079 0.000 0.832 147 E HN 0.369 nan 8.360 nan 0.000 0.500 148 A N 3.939 126.376 122.820 -0.637 0.000 2.561 148 A HA 0.044 4.363 4.320 -0.000 0.000 0.251 148 A C -2.075 175.167 177.584 -0.570 0.000 1.062 148 A CA -0.933 50.508 52.037 -0.993 0.000 0.761 148 A CB -0.355 18.483 19.000 -0.270 0.000 0.986 148 A HN -0.031 nan 8.150 nan 0.000 0.510 149 P HA 0.189 nan 4.420 nan 0.000 0.266 149 P C 0.887 178.123 177.300 -0.107 0.000 1.215 149 P CA 1.371 64.320 63.100 -0.252 0.000 0.763 149 P CB 0.729 32.329 31.700 -0.167 0.000 0.806 150 G N 2.279 111.039 108.800 -0.068 0.000 2.175 150 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.244 150 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.244 150 G C 0.517 175.404 174.900 -0.021 0.000 0.982 150 G CA 0.273 45.357 45.100 -0.026 0.000 0.641 150 G HN 1.004 nan 8.290 nan 0.000 0.527 151 G N -2.259 106.519 108.800 -0.037 0.000 2.860 151 G HA2 0.209 4.169 3.960 -0.000 0.000 0.553 151 G HA3 0.209 4.169 3.960 -0.000 0.000 0.553 151 G C -0.302 174.630 174.900 0.054 0.000 1.439 151 G CA 0.087 45.184 45.100 -0.006 0.000 0.879 151 G HN 1.569 nan 8.290 nan 0.000 0.545 152 V N 0.781 120.730 119.914 0.058 0.000 2.487 152 V HA 0.596 4.716 4.120 -0.000 0.000 0.298 152 V C -0.576 175.475 176.094 -0.072 0.000 1.028 152 V CA -0.054 62.292 62.300 0.075 0.000 0.860 152 V CB 1.925 33.838 31.823 0.150 0.000 0.991 152 V HN 0.907 nan 8.190 nan 0.000 0.427 153 D N 3.358 123.685 120.400 -0.121 0.000 2.462 153 D HA 0.335 4.975 4.640 -0.000 0.000 0.249 153 D C 1.122 177.156 176.300 -0.444 0.000 1.117 153 D CA -0.487 53.399 54.000 -0.190 0.000 0.900 153 D CB 0.890 41.651 40.800 -0.065 0.000 1.039 153 D HN 0.392 nan 8.370 nan 0.000 0.516 154 R N 1.527 121.605 120.500 -0.703 0.000 2.293 154 R HA -0.058 4.282 4.340 -0.000 0.000 0.219 154 R C 0.806 176.888 176.300 -0.362 0.000 1.091 154 R CA 0.960 56.448 56.100 -1.020 0.000 1.004 154 R CB 0.322 30.202 30.300 -0.700 0.000 0.865 154 R HN 0.465 nan 8.270 nan 0.000 0.469 155 E N 0.393 120.474 120.200 -0.198 0.000 2.442 155 E HA -0.020 4.330 4.350 -0.000 0.000 0.195 155 E C 0.298 176.897 176.600 -0.002 0.000 1.030 155 E CA 0.211 56.571 56.400 -0.067 0.000 0.869 155 E CB 0.390 30.056 29.700 -0.057 0.000 0.857 155 E HN 0.177 nan 8.360 nan 0.000 0.505 156 S N 0.296 116.007 115.700 0.018 0.000 2.576 156 S HA 0.355 4.825 4.470 -0.000 0.000 0.276 156 S C 1.281 175.961 174.600 0.134 0.000 1.339 156 S CA -0.212 58.034 58.200 0.075 0.000 1.039 156 S CB 1.737 64.990 63.200 0.089 0.000 0.902 156 S HN 0.154 nan 8.310 nan 0.000 0.516 157 A N 3.214 126.094 122.820 0.100 0.000 1.933 157 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 157 A C 2.344 180.026 177.584 0.163 0.000 1.175 157 A CA 1.851 53.954 52.037 0.109 0.000 0.628 157 A CB -1.439 17.596 19.000 0.060 0.000 0.814 157 A HN 0.870 nan 8.150 nan 0.000 0.444 158 S N -1.065 114.727 115.700 0.154 0.000 2.356 158 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 158 S C 1.681 176.424 174.600 0.237 0.000 1.032 158 S CA 1.428 59.744 58.200 0.193 0.000 1.005 158 S CB -0.551 62.727 63.200 0.130 0.000 0.867 158 S HN 0.629 nan 8.310 nan 0.000 0.449 159 F N 2.327 122.319 119.950 0.070 0.000 2.102 159 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 159 F C 2.223 178.040 175.800 0.027 0.000 1.105 159 F CA 1.463 59.481 58.000 0.029 0.000 1.239 159 F CB -0.391 38.616 39.000 0.010 0.000 0.991 159 F HN 0.097 nan 8.300 nan 0.000 0.474 160 M N -1.041 118.735 119.600 0.295 0.000 2.213 160 M HA -0.191 4.289 4.480 -0.000 0.000 0.263 160 M C 2.163 178.515 176.300 0.086 0.000 1.062 160 M CA 1.686 57.093 55.300 0.179 0.000 1.105 160 M CB -0.792 31.916 32.600 0.179 0.000 1.385 160 M HN 0.337 nan 8.290 nan 0.000 0.417 161 F N 1.148 121.097 119.950 -0.003 0.000 2.146 161 F HA 0.004 4.531 4.527 -0.000 0.000 0.298 161 F C 2.183 177.951 175.800 -0.054 0.000 1.096 161 F CA 1.679 59.669 58.000 -0.016 0.000 1.275 161 F CB -0.964 38.036 39.000 -0.000 0.000 1.008 161 F HN 0.053 nan 8.300 nan 0.000 0.480 162 G N -0.009 108.580 108.800 -0.352 0.000 2.440 162 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 162 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 162 G C 1.547 176.181 174.900 -0.442 0.000 1.154 162 G CA 0.945 45.756 45.100 -0.482 0.000 0.767 162 G HN 0.487 nan 8.290 nan 0.000 0.552 163 E N 0.084 120.043 120.200 -0.401 0.000 2.085 163 E HA -0.154 4.195 4.350 -0.000 0.000 0.194 163 E C 2.126 178.606 176.600 -0.201 0.000 0.994 163 E CA 1.038 57.261 56.400 -0.296 0.000 0.801 163 E CB -0.104 29.473 29.700 -0.205 0.000 0.743 163 E HN 0.294 nan 8.360 nan 0.000 0.453 164 D N 0.135 120.420 120.400 -0.192 0.000 2.144 164 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 164 D C 1.933 178.133 176.300 -0.167 0.000 0.978 164 D CA 0.541 54.459 54.000 -0.137 0.000 0.833 164 D CB 0.120 40.876 40.800 -0.074 0.000 0.961 164 D HN -0.041 nan 8.370 nan 0.000 0.470 165 V N 1.033 120.770 119.914 -0.295 0.000 2.295 165 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 165 V C 2.652 178.765 176.094 0.031 0.000 1.049 165 V CA 1.854 64.049 62.300 -0.177 0.000 1.024 165 V CB -1.000 30.665 31.823 -0.263 0.000 0.648 165 V HN 0.263 nan 8.190 nan 0.000 0.447 166 A N -0.080 122.722 122.820 -0.030 0.000 1.908 166 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 166 A C 1.999 179.632 177.584 0.082 0.000 1.181 166 A CA 2.112 54.172 52.037 0.038 0.000 0.627 166 A CB -0.691 18.250 19.000 -0.098 0.000 0.818 166 A HN 0.551 nan 8.150 nan 0.000 0.445 167 D N -0.179 120.222 120.400 0.002 0.000 2.123 167 D HA -0.123 4.516 4.640 -0.000 0.000 0.196 167 D C 2.121 178.451 176.300 0.050 0.000 0.992 167 D CA 1.592 55.608 54.000 0.028 0.000 0.833 167 D CB -0.530 40.258 40.800 -0.019 0.000 0.954 167 D HN 0.246 nan 8.370 nan 0.000 0.455 168 V N 0.667 120.562 119.914 -0.030 0.000 2.255 168 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 168 V C 2.270 178.264 176.094 -0.167 0.000 1.051 168 V CA 1.430 63.645 62.300 -0.141 0.000 1.018 168 V CB -0.696 30.971 31.823 -0.260 0.000 0.641 168 V HN 0.046 nan 8.190 nan 0.000 0.445 169 F N -0.676 119.254 119.950 -0.033 0.000 2.134 169 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 169 F C 2.173 177.942 175.800 -0.051 0.000 1.097 169 F CA 1.909 59.872 58.000 -0.062 0.000 1.264 169 F CB -0.776 38.192 39.000 -0.053 0.000 1.001 169 F HN 0.115 nan 8.300 nan 0.000 0.479 170 F N 0.640 120.632 119.950 0.070 0.000 2.102 170 F HA -0.162 4.365 4.527 0.000 0.000 0.298 170 F C 2.359 178.142 175.800 -0.028 0.000 1.105 170 F CA 1.438 59.443 58.000 0.009 0.000 1.239 170 F CB -0.747 38.246 39.000 -0.011 0.000 0.991 170 F HN -0.091 nan 8.300 nan 0.000 0.474 171 A N -0.077 122.770 122.820 0.046 0.000 1.972 171 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 171 A C 2.050 179.530 177.584 -0.174 0.000 1.169 171 A CA 1.737 53.733 52.037 -0.067 0.000 0.635 171 A CB -1.081 17.917 19.000 -0.003 0.000 0.810 171 A HN 0.515 nan 8.150 nan 0.000 0.446 172 L N -0.995 120.111 121.223 -0.194 0.000 2.068 172 L HA 0.126 4.466 4.340 -0.000 0.000 0.204 172 L C 1.861 178.592 176.870 -0.233 0.000 1.076 172 L CA 1.726 56.408 54.840 -0.263 0.000 0.753 172 L CB -0.238 41.598 42.059 -0.371 0.000 0.910 172 L HN 0.325 nan 8.230 nan 0.000 0.439 173 L N -0.762 120.330 121.223 -0.218 0.000 2.616 173 L HA 0.156 4.496 4.340 -0.000 0.000 0.229 173 L C 0.776 177.562 176.870 -0.139 0.000 1.110 173 L CA -0.142 54.580 54.840 -0.197 0.000 0.884 173 L CB -0.394 41.436 42.059 -0.381 0.000 1.115 173 L HN 0.290 nan 8.230 nan 0.000 0.481 174 N N 1.372 119.874 118.700 -0.330 0.000 2.483 174 N HA -0.063 4.677 4.740 -0.000 0.000 0.264 174 N C -0.971 174.404 175.510 -0.226 0.000 1.197 174 N CA 0.216 53.017 53.050 -0.415 0.000 0.927 174 N CB 0.776 38.601 38.487 -1.104 0.000 1.065 174 N HN -0.039 nan 8.380 nan 0.000 0.461 175 D N 4.688 125.029 120.400 -0.099 0.000 2.462 175 D HA 0.338 4.978 4.640 -0.000 0.000 0.249 175 D C -1.780 174.504 176.300 -0.026 0.000 1.117 175 D CA -2.116 51.870 54.000 -0.023 0.000 0.900 175 D CB 1.461 42.318 40.800 0.094 0.000 1.039 175 D HN 0.358 nan 8.370 nan 0.000 0.516 176 P HA -0.118 nan 4.420 nan 0.000 0.215 176 P C 0.788 178.092 177.300 0.007 0.000 1.153 176 P CA 1.020 64.111 63.100 -0.016 0.000 0.853 176 P CB 0.137 31.831 31.700 -0.010 0.000 0.788 177 R N -0.675 119.836 120.500 0.019 0.000 2.335 177 R HA 0.263 4.603 4.340 -0.000 0.000 0.223 177 R C 1.904 178.233 176.300 0.048 0.000 0.940 177 R CA 0.490 56.613 56.100 0.038 0.000 1.086 177 R CB -1.331 28.997 30.300 0.046 0.000 1.073 177 R HN -0.007 nan 8.270 nan 0.000 0.504 178 G N 1.912 110.731 108.800 0.032 0.000 2.839 178 G HA2 -0.440 3.520 3.960 -0.000 0.000 0.221 178 G HA3 -0.440 3.520 3.960 -0.000 0.000 0.221 178 G C 1.280 176.132 174.900 -0.080 0.000 1.271 178 G CA 1.212 46.318 45.100 0.010 0.000 0.789 178 G HN 0.536 nan 8.290 nan 0.000 0.659 179 A N -0.172 122.553 122.820 -0.158 0.000 2.291 179 A HA 0.525 4.845 4.320 -0.000 0.000 0.220 179 A C 1.369 178.902 177.584 -0.085 0.000 1.262 179 A CA 0.936 52.847 52.037 -0.211 0.000 0.867 179 A CB -0.428 18.452 19.000 -0.200 0.000 0.888 179 A HN 0.515 nan 8.150 nan 0.000 0.487 180 S N 0.302 116.004 115.700 0.002 0.000 2.544 180 S HA 0.079 4.549 4.470 -0.000 0.000 0.290 180 S C 1.121 175.749 174.600 0.046 0.000 1.276 180 S CA 0.487 58.742 58.200 0.090 0.000 1.075 180 S CB 0.207 63.507 63.200 0.166 0.000 0.849 180 S HN 0.706 nan 8.310 nan 0.000 0.494 181 Q N 2.497 122.349 119.800 0.088 0.000 2.171 181 Q HA 0.285 4.625 4.340 -0.000 0.000 0.218 181 Q C -0.493 175.650 176.000 0.239 0.000 0.822 181 Q CA -0.331 55.477 55.803 0.007 0.000 0.987 181 Q CB -0.008 28.795 28.738 0.108 0.000 1.144 181 Q HN 0.702 nan 8.270 nan 0.000 0.494 182 E N 1.177 121.563 120.200 0.310 0.000 2.491 182 E HA 0.156 4.506 4.350 -0.000 0.000 0.250 182 E C 0.581 177.349 176.600 0.280 0.000 1.061 182 E CA 0.931 57.487 56.400 0.260 0.000 0.942 182 E CB 0.148 29.963 29.700 0.191 0.000 0.957 182 E HN 0.581 nan 8.360 nan 0.000 0.480 183 G N 3.103 112.002 108.800 0.165 0.000 2.259 183 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.217 183 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.217 183 G C -0.209 174.678 174.900 -0.022 0.000 1.001 183 G CA -0.134 45.035 45.100 0.115 0.000 0.627 183 G HN 0.569 nan 8.290 nan 0.000 0.501 184 Y N 3.716 123.973 120.300 -0.071 0.000 2.346 184 Y HA 0.656 5.206 4.550 -0.000 0.000 0.330 184 Y C 0.189 175.686 175.900 -0.671 0.000 1.178 184 Y CA -0.175 57.791 58.100 -0.223 0.000 1.331 184 Y CB 0.592 38.855 38.460 -0.328 0.000 1.253 184 Y HN 0.305 nan 8.280 nan 0.000 0.529 185 H N 5.071 123.415 119.070 -1.210 0.000 2.954 185 H HA 0.275 4.831 4.556 -0.000 0.000 0.361 185 H C -2.609 172.079 175.328 -1.066 0.000 1.122 185 H CA -1.912 53.591 56.048 -0.909 0.000 1.217 185 H CB 1.738 31.298 29.762 -0.337 0.000 1.776 185 H HN 0.538 nan 8.280 nan 0.000 0.533 186 P HA 0.072 nan 4.420 nan 0.000 0.269 186 P C -0.219 177.062 177.300 -0.033 0.000 1.215 186 P CA -0.035 62.996 63.100 -0.115 0.000 0.780 186 P CB 0.620 32.331 31.700 0.018 0.000 0.898 187 T N 2.776 117.373 114.554 0.072 0.000 3.253 187 T HA 0.334 4.684 4.350 -0.000 0.000 0.391 187 T C -2.345 172.388 174.700 0.055 0.000 1.527 187 T CA -1.360 60.772 62.100 0.054 0.000 1.268 187 T CB -0.060 68.854 68.868 0.076 0.000 1.126 187 T HN 0.261 nan 8.240 nan 0.000 0.620 188 P HA 0.451 nan 4.420 nan 0.000 0.267 188 P C 0.496 177.791 177.300 -0.009 0.000 1.201 188 P CA 0.583 63.696 63.100 0.022 0.000 0.775 188 P CB 0.539 32.251 31.700 0.019 0.000 0.854 189 G N 0.180 108.954 108.800 -0.042 0.000 2.337 189 G HA2 0.166 4.126 3.960 -0.000 0.000 0.298 189 G HA3 0.166 4.126 3.960 -0.000 0.000 0.298 189 G C -1.505 173.234 174.900 -0.268 0.000 1.335 189 G CA -1.039 43.995 45.100 -0.109 0.000 0.875 189 G HN 0.582 nan 8.290 nan 0.000 0.579 190 R N -0.403 119.859 120.500 -0.396 0.000 2.537 190 R HA 0.435 4.775 4.340 -0.000 0.000 0.280 190 R C 0.348 175.929 176.300 -1.198 0.000 1.058 190 R CA 0.431 56.003 56.100 -0.879 0.000 1.057 190 R CB -0.131 29.688 30.300 -0.802 0.000 0.973 190 R HN 1.036 nan 8.270 nan 0.000 0.438 191 Y N -0.375 118.613 120.300 -2.187 0.000 4.929 191 Y HA -0.289 4.260 4.550 -0.000 0.000 0.253 191 Y C -0.287 174.813 175.900 -1.334 0.000 0.946 191 Y CA 0.745 57.508 58.100 -2.227 0.000 1.905 191 Y CB -1.329 36.455 38.460 -1.127 0.000 1.400 191 Y HN 0.523 nan 8.280 nan 0.000 0.531 192 K N 1.254 121.247 120.400 -0.679 0.000 2.183 192 K HA 0.352 4.672 4.320 -0.000 0.000 0.274 192 K C -0.053 176.653 176.600 0.177 0.000 1.009 192 K CA -0.797 55.424 56.287 -0.110 0.000 0.888 192 K CB 0.767 33.245 32.500 -0.038 0.000 1.078 192 K HN 0.069 nan 8.250 nan 0.000 0.459 193 F N 2.483 122.527 119.950 0.156 0.000 2.563 193 F HA 0.045 4.572 4.527 -0.000 0.000 0.363 193 F C 0.298 176.240 175.800 0.236 0.000 1.123 193 F CA 0.809 58.943 58.000 0.222 0.000 1.307 193 F CB 0.513 39.605 39.000 0.154 0.000 1.115 193 F HN 0.533 nan 8.300 nan 0.000 0.592 194 D N 2.407 122.333 120.400 -0.791 0.000 2.713 194 D HA 0.161 4.801 4.640 -0.000 0.000 0.306 194 D C -1.744 174.205 176.300 -0.586 0.000 1.299 194 D CA -0.528 53.152 54.000 -0.534 0.000 0.823 194 D CB 1.356 42.086 40.800 -0.118 0.000 1.353 194 D HN 0.415 nan 8.370 nan 0.000 0.447 195 D N 1.121 121.425 120.400 -0.161 0.000 2.488 195 D HA 0.018 4.658 4.640 -0.000 0.000 0.238 195 D C 0.078 176.341 176.300 -0.062 0.000 1.138 195 D CA 0.604 54.588 54.000 -0.027 0.000 0.873 195 D CB 0.450 41.303 40.800 0.089 0.000 1.183 195 D HN 0.247 nan 8.370 nan 0.000 0.458 196 E N 2.865 123.042 120.200 -0.039 0.000 2.415 196 E HA -0.016 4.334 4.350 -0.000 0.000 0.260 196 E C -1.283 175.309 176.600 -0.012 0.000 1.016 196 E CA -1.324 55.052 56.400 -0.040 0.000 0.924 196 E CB 0.947 30.618 29.700 -0.048 0.000 0.961 196 E HN 0.217 nan 8.360 nan 0.000 0.459 197 P HA -0.175 nan 4.420 nan 0.000 0.223 197 P C 0.848 178.105 177.300 -0.072 0.000 1.144 197 P CA 1.269 64.344 63.100 -0.043 0.000 0.783 197 P CB 0.143 31.809 31.700 -0.056 0.000 0.771 198 T N -5.406 109.085 114.554 -0.104 0.000 3.065 198 T HA 0.052 4.402 4.350 -0.000 0.000 0.252 198 T C 0.367 174.743 174.700 -0.540 0.000 1.099 198 T CA 0.292 62.235 62.100 -0.262 0.000 1.063 198 T CB -0.613 68.109 68.868 -0.243 0.000 0.948 198 T HN 0.206 nan 8.240 nan 0.000 0.506 199 H N 0.931 120.007 119.070 0.011 0.000 2.696 199 H HA 0.287 4.843 4.556 -0.000 0.000 0.221 199 H C -2.229 173.234 175.328 0.225 0.000 1.399 199 H CA -1.284 54.840 56.048 0.126 0.000 1.408 199 H CB 1.351 31.126 29.762 0.023 0.000 1.853 199 H HN 0.067 nan 8.280 nan 0.000 0.546 200 P HA -0.048 nan 4.420 nan 0.000 0.225 200 P C 0.212 177.637 177.300 0.207 0.000 1.156 200 P CA 0.651 63.862 63.100 0.187 0.000 0.787 200 P CB 1.306 33.058 31.700 0.085 0.000 0.802 201 V N -0.632 119.383 119.914 0.168 0.000 3.178 201 V HA 0.425 4.545 4.120 -0.000 0.000 0.302 201 V C -1.574 174.392 176.094 -0.213 0.000 1.262 201 V CA -1.025 61.243 62.300 -0.053 0.000 1.030 201 V CB 2.633 34.445 31.823 -0.019 0.000 1.074 201 V HN -0.223 nan 8.190 nan 0.000 0.438 202 V N 4.262 123.903 119.914 -0.454 0.000 2.769 202 V HA 0.619 4.739 4.120 -0.000 0.000 0.312 202 V C -0.548 175.463 176.094 -0.137 0.000 1.061 202 V CA -0.816 61.245 62.300 -0.398 0.000 0.931 202 V CB 1.790 33.197 31.823 -0.694 0.000 1.010 202 V HN 0.717 nan 8.190 nan 0.000 0.433 203 L N 5.207 126.393 121.223 -0.062 0.000 2.277 203 L HA 0.603 4.943 4.340 -0.000 0.000 0.284 203 L C -0.296 176.565 176.870 -0.016 0.000 1.028 203 L CA -0.262 54.567 54.840 -0.018 0.000 0.835 203 L CB 0.963 43.020 42.059 -0.004 0.000 1.215 203 L HN 0.700 nan 8.230 nan 0.000 0.425 204 I N 1.644 122.204 120.570 -0.017 0.000 2.525 204 I HA 0.644 4.814 4.170 -0.000 0.000 0.301 204 I C -2.404 173.687 176.117 -0.043 0.000 0.992 204 I CA -2.612 58.666 61.300 -0.035 0.000 1.162 204 I CB 1.961 39.919 38.000 -0.070 0.000 1.332 204 I HN 0.256 nan 8.210 nan 0.000 0.458 205 P HA 0.024 nan 4.420 nan 0.000 0.268 205 P C 0.867 178.137 177.300 -0.049 0.000 1.205 205 P CA -0.205 62.874 63.100 -0.034 0.000 0.771 205 P CB 1.705 33.390 31.700 -0.025 0.000 0.858 206 V N 0.950 120.842 119.914 -0.037 0.000 2.515 206 V HA -0.135 3.985 4.120 -0.000 0.000 0.250 206 V C 1.086 177.157 176.094 -0.038 0.000 1.058 206 V CA 1.993 64.269 62.300 -0.040 0.000 1.064 206 V CB -0.995 30.814 31.823 -0.024 0.000 0.675 206 V HN 0.608 nan 8.190 nan 0.000 0.461 207 D N -0.313 120.071 120.400 -0.027 0.000 2.471 207 D HA 0.244 4.884 4.640 -0.000 0.000 0.245 207 D C -1.581 174.707 176.300 -0.019 0.000 1.116 207 D CA -2.438 51.550 54.000 -0.019 0.000 0.853 207 D CB 2.170 42.964 40.800 -0.010 0.000 1.123 207 D HN 0.026 nan 8.370 nan 0.000 0.540 208 P HA -0.116 nan 4.420 nan 0.000 0.219 208 P C 0.557 177.851 177.300 -0.010 0.000 1.146 208 P CA 0.664 63.751 63.100 -0.022 0.000 0.808 208 P CB 0.494 32.180 31.700 -0.024 0.000 0.779 209 N N -0.274 118.426 118.700 -0.000 0.000 2.461 209 N HA -0.042 4.698 4.740 -0.000 0.000 0.188 209 N C 0.393 175.904 175.510 0.002 0.000 1.134 209 N CA 0.537 53.591 53.050 0.006 0.000 0.878 209 N CB -0.435 38.062 38.487 0.016 0.000 0.972 209 N HN 0.155 nan 8.380 nan 0.000 0.456 210 N N 0.633 119.331 118.700 -0.003 0.000 2.752 210 N HA 0.178 4.918 4.740 -0.000 0.000 0.260 210 N C -2.078 173.428 175.510 -0.007 0.000 1.562 210 N CA -1.754 51.294 53.050 -0.004 0.000 0.788 210 N CB 1.026 39.511 38.487 -0.003 0.000 1.192 210 N HN -0.086 nan 8.380 nan 0.000 0.503 211 P HA -0.033 nan 4.420 nan 0.000 0.225 211 P C -0.117 177.180 177.300 -0.005 0.000 1.148 211 P CA 1.011 64.107 63.100 -0.007 0.000 0.779 211 P CB 0.408 32.104 31.700 -0.005 0.000 0.780 212 N N -0.770 117.927 118.700 -0.004 0.000 2.236 212 N HA 0.136 4.876 4.740 -0.000 0.000 0.196 212 N C 1.255 176.763 175.510 -0.003 0.000 1.114 212 N CA -0.014 53.034 53.050 -0.003 0.000 0.859 212 N CB 0.203 38.688 38.487 -0.003 0.000 0.982 212 N HN 0.107 nan 8.380 nan 0.000 0.493 213 G N 1.304 110.101 108.800 -0.004 0.000 2.531 213 G HA2 0.245 4.205 3.960 -0.000 0.000 0.253 213 G HA3 0.245 4.205 3.960 -0.000 0.000 0.253 213 G C -2.257 172.640 174.900 -0.004 0.000 1.439 213 G CA -0.780 44.318 45.100 -0.004 0.000 1.056 213 G HN -0.059 nan 8.290 nan 0.000 0.555 214 P HA 0.212 nan 4.420 nan 0.000 0.268 214 P C -0.794 176.501 177.300 -0.007 0.000 1.205 214 P CA 0.204 63.301 63.100 -0.004 0.000 0.771 214 P CB 1.073 32.772 31.700 -0.003 0.000 0.858 215 K N 2.786 123.183 120.400 -0.005 0.000 2.258 215 K HA 0.706 5.026 4.320 -0.000 0.000 0.236 215 K C 0.310 176.908 176.600 -0.004 0.000 1.008 215 K CA -0.844 55.438 56.287 -0.008 0.000 0.869 215 K CB 1.557 34.054 32.500 -0.004 0.000 1.171 215 K HN 0.652 nan 8.250 nan 0.000 0.447 216 M N -0.445 119.152 119.600 -0.004 0.000 2.378 216 M HA 0.447 4.927 4.480 -0.000 0.000 0.289 216 M C -2.853 173.468 176.300 0.034 0.000 1.136 216 M CA -1.977 53.330 55.300 0.012 0.000 0.917 216 M CB 2.722 35.324 32.600 0.003 0.000 1.669 216 M HN 0.086 nan 8.290 nan 0.000 0.461 217 P HA 0.266 nan 4.420 nan 0.000 0.271 217 P C -1.629 175.763 177.300 0.154 0.000 1.216 217 P CA 0.285 63.421 63.100 0.060 0.000 0.776 217 P CB 0.644 32.370 31.700 0.044 0.000 0.881 218 F N 2.861 122.743 119.950 -0.114 0.000 2.601 218 F HA 0.476 5.003 4.527 -0.000 0.000 0.309 218 F C -0.693 174.992 175.800 -0.192 0.000 1.089 218 F CA -1.160 56.770 58.000 -0.117 0.000 0.940 218 F CB 2.291 41.215 39.000 -0.127 0.000 1.273 218 F HN 0.165 nan 8.300 nan 0.000 0.450 219 R N 4.264 124.264 120.500 -0.834 0.000 2.371 219 R HA 0.380 4.720 4.340 -0.000 0.000 0.312 219 R C -0.993 174.605 176.300 -1.170 0.000 0.980 219 R CA -0.717 54.952 56.100 -0.718 0.000 0.867 219 R CB 1.799 31.923 30.300 -0.294 0.000 1.163 219 R HN 0.659 nan 8.270 nan 0.000 0.492 220 Q N 2.061 121.393 119.800 -0.779 0.000 2.259 220 Q HA 0.316 4.656 4.340 -0.000 0.000 0.246 220 Q C -1.100 174.631 176.000 -0.449 0.000 0.920 220 Q CA -0.292 55.236 55.803 -0.459 0.000 0.895 220 Q CB 1.413 30.259 28.738 0.181 0.000 1.220 220 Q HN 0.431 nan 8.270 nan 0.000 0.439 221 Y N -0.045 120.432 120.300 0.295 0.000 2.322 221 Y HA 0.150 4.701 4.550 0.000 0.000 0.324 221 Y C -0.727 175.360 175.900 0.313 0.000 1.027 221 Y CA -0.958 57.388 58.100 0.410 0.000 1.179 221 Y CB 0.982 39.622 38.460 0.301 0.000 1.136 221 Y HN 0.656 nan 8.280 nan 0.000 0.449 222 H N 3.549 122.972 119.070 0.587 0.000 3.160 222 H HA 0.464 5.020 4.556 0.000 0.000 0.257 222 H C 0.575 176.151 175.328 0.413 0.000 1.140 222 H CA 0.412 56.755 56.048 0.493 0.000 1.492 222 H CB 0.035 30.190 29.762 0.656 0.000 1.529 222 H HN 0.868 nan 8.280 nan 0.000 0.490 223 A N 5.800 128.419 122.820 -0.336 0.000 2.362 223 A HA -0.153 4.167 4.320 -0.000 0.000 0.290 223 A C -1.377 175.836 177.584 -0.618 0.000 1.441 223 A CA 0.364 52.148 52.037 -0.423 0.000 0.743 223 A CB -1.225 17.447 19.000 -0.547 0.000 1.125 223 A HN 0.748 nan 8.150 nan 0.000 0.378 224 P HA -0.038 nan 4.420 nan 0.000 0.226 224 P C 0.799 177.367 177.300 -1.221 0.000 1.153 224 P CA 1.133 62.803 63.100 -2.383 0.000 0.777 224 P CB -0.108 29.927 31.700 -2.775 0.000 0.794 225 F N -3.211 116.511 119.950 -0.381 0.000 2.717 225 F HA 0.185 4.712 4.527 0.000 0.000 0.297 225 F C 2.395 178.163 175.800 -0.053 0.000 1.113 225 F CA -1.004 56.897 58.000 -0.165 0.000 1.319 225 F CB -1.531 37.401 39.000 -0.114 0.000 1.097 225 F HN -0.210 nan 8.300 nan 0.000 0.595 226 Y N 1.872 122.145 120.300 -0.045 0.000 2.040 226 Y HA -0.233 4.317 4.550 -0.000 0.000 0.275 226 Y C 2.511 178.394 175.900 -0.028 0.000 1.171 226 Y CA 1.893 59.963 58.100 -0.049 0.000 1.123 226 Y CB -0.853 37.527 38.460 -0.135 0.000 0.963 226 Y HN 0.079 nan 8.280 nan 0.000 0.493 227 G N -0.002 108.803 108.800 0.009 0.000 2.442 227 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.219 227 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.219 227 G C 1.544 176.330 174.900 -0.190 0.000 1.141 227 G CA 1.290 46.309 45.100 -0.137 0.000 0.763 227 G HN 0.606 nan 8.290 nan 0.000 0.554 228 K N -0.117 120.244 120.400 -0.065 0.000 2.361 228 K HA 0.108 4.428 4.320 -0.000 0.000 0.196 228 K C 1.886 178.448 176.600 -0.064 0.000 1.039 228 K CA 1.482 57.742 56.287 -0.045 0.000 1.001 228 K CB 0.051 32.570 32.500 0.031 0.000 0.795 228 K HN 0.322 nan 8.250 nan 0.000 0.495 229 T N -3.347 111.156 114.554 -0.085 0.000 2.955 229 T HA 0.057 4.407 4.350 -0.000 0.000 0.251 229 T C 0.902 175.532 174.700 -0.116 0.000 1.002 229 T CA -0.132 61.924 62.100 -0.073 0.000 0.970 229 T CB 0.153 69.006 68.868 -0.025 0.000 1.091 229 T HN 0.063 nan 8.240 nan 0.000 0.495 230 T N 2.113 116.525 114.554 -0.237 0.000 2.860 230 T HA 0.278 4.628 4.350 -0.000 0.000 0.299 230 T C -0.242 174.351 174.700 -0.178 0.000 1.045 230 T CA -0.329 61.614 62.100 -0.262 0.000 1.071 230 T CB 0.328 68.814 68.868 -0.636 0.000 0.985 230 T HN 0.239 nan 8.240 nan 0.000 0.537 231 K N 3.136 123.497 120.400 -0.064 0.000 2.276 231 K HA 0.276 4.596 4.320 -0.000 0.000 0.283 231 K C 0.073 176.739 176.600 0.111 0.000 1.044 231 K CA -0.492 55.810 56.287 0.025 0.000 0.944 231 K CB 0.670 33.200 32.500 0.051 0.000 1.012 231 K HN 0.404 nan 8.250 nan 0.000 0.472 232 R N 1.606 122.181 120.500 0.125 0.000 2.615 232 R HA 0.135 4.475 4.340 -0.000 0.000 0.270 232 R C 0.680 177.259 176.300 0.465 0.000 1.081 232 R CA -0.051 56.185 56.100 0.226 0.000 1.154 232 R CB 0.105 30.525 30.300 0.200 0.000 1.063 232 R HN 0.495 nan 8.270 nan 0.000 0.519 233 F N -0.067 119.976 119.950 0.154 0.000 2.148 233 F HA 0.229 4.756 4.527 -0.000 0.000 0.285 233 F C 1.699 177.729 175.800 0.382 0.000 1.092 233 F CA 1.364 59.506 58.000 0.238 0.000 1.218 233 F CB -0.387 38.687 39.000 0.124 0.000 1.059 233 F HN 0.597 nan 8.300 nan 0.000 0.490 234 A N -0.950 122.179 122.820 0.516 0.000 2.600 234 A HA 0.250 4.570 4.320 -0.000 0.000 0.252 234 A C 0.398 178.154 177.584 0.287 0.000 1.200 234 A CA 0.135 52.423 52.037 0.417 0.000 0.981 234 A CB -1.088 18.173 19.000 0.435 0.000 1.207 234 A HN 0.207 nan 8.150 nan 0.000 0.577 235 T N -0.904 113.832 114.554 0.303 0.000 2.918 235 T HA 0.288 4.638 4.350 -0.000 0.000 0.302 235 T C 0.303 175.138 174.700 0.224 0.000 1.045 235 T CA -0.133 62.136 62.100 0.282 0.000 1.114 235 T CB 0.969 70.079 68.868 0.405 0.000 0.965 235 T HN 0.174 nan 8.240 nan 0.000 0.540 236 Q N 0.821 120.722 119.800 0.169 0.000 2.198 236 Q HA 0.264 4.604 4.340 -0.000 0.000 0.209 236 Q C 0.407 176.438 176.000 0.051 0.000 0.848 236 Q CA -0.153 55.710 55.803 0.100 0.000 0.974 236 Q CB 0.224 29.007 28.738 0.074 0.000 1.115 236 Q HN 0.964 nan 8.270 nan 0.000 0.494 237 S N -1.379 114.332 115.700 0.018 0.000 2.643 237 S HA 0.412 4.882 4.470 -0.000 0.000 0.266 237 S C -1.049 173.385 174.600 -0.277 0.000 1.130 237 S CA -0.973 57.161 58.200 -0.111 0.000 0.817 237 S CB 1.743 64.832 63.200 -0.185 0.000 1.107 237 S HN -0.097 nan 8.310 nan 0.000 0.471 238 E N 1.352 121.391 120.200 -0.269 0.000 2.313 238 E HA 0.436 4.786 4.350 -0.000 0.000 0.272 238 E C -0.690 175.384 176.600 -0.876 0.000 1.038 238 E CA -0.293 55.898 56.400 -0.349 0.000 0.863 238 E CB 0.590 30.219 29.700 -0.119 0.000 1.060 238 E HN 0.630 nan 8.360 nan 0.000 0.402 239 H N 2.051 120.592 119.070 -0.883 0.000 2.538 239 H HA 0.432 4.988 4.556 0.000 0.000 0.353 239 H C -0.558 174.342 175.328 -0.714 0.000 1.109 239 H CA -0.405 55.246 56.048 -0.662 0.000 1.192 239 H CB 0.918 30.233 29.762 -0.745 0.000 1.555 239 H HN 0.291 nan 8.280 nan 0.000 0.518 240 F N 0.989 121.010 119.950 0.118 0.000 2.620 240 F HA 0.500 5.027 4.527 0.000 0.000 0.320 240 F C -0.184 175.670 175.800 0.090 0.000 1.069 240 F CA -0.818 57.202 58.000 0.033 0.000 0.953 240 F CB 1.756 40.616 39.000 -0.234 0.000 1.322 240 F HN 0.146 nan 8.300 nan 0.000 0.479 241 L N 0.952 122.342 121.223 0.279 0.000 2.301 241 L HA 0.815 5.155 4.340 -0.000 0.000 0.264 241 L C -0.171 176.835 176.870 0.227 0.000 1.016 241 L CA -1.366 53.629 54.840 0.259 0.000 0.821 241 L CB 1.897 44.065 42.059 0.181 0.000 1.346 241 L HN 0.788 nan 8.230 nan 0.000 0.429 242 A N 0.199 123.151 122.820 0.220 0.000 2.425 242 A HA 0.189 4.509 4.320 -0.000 0.000 0.242 242 A C -0.563 176.952 177.584 -0.115 0.000 1.077 242 A CA -0.409 51.691 52.037 0.105 0.000 0.781 242 A CB -0.024 19.033 19.000 0.094 0.000 1.020 242 A HN 0.669 nan 8.150 nan 0.000 0.494 243 D N 2.459 122.722 120.400 -0.229 0.000 2.424 243 D HA 0.251 4.890 4.640 -0.000 0.000 0.244 243 D C -2.044 173.748 176.300 -0.847 0.000 1.134 243 D CA -0.461 53.210 54.000 -0.549 0.000 0.881 243 D CB 0.479 41.109 40.800 -0.284 0.000 1.191 243 D HN 0.328 nan 8.370 nan 0.000 0.445 244 P HA 0.176 nan 4.420 nan 0.000 0.272 244 P C -2.673 173.855 177.300 -1.286 0.000 1.230 244 P CA -1.447 60.604 63.100 -1.748 0.000 0.788 244 P CB -0.143 30.082 31.700 -2.458 0.000 0.949 245 P HA 0.037 nan 4.420 nan 0.000 0.261 245 P C 1.055 177.886 177.300 -0.781 0.000 1.183 245 P CA 1.646 64.232 63.100 -0.856 0.000 0.761 245 P CB -0.318 30.905 31.700 -0.795 0.000 0.785 246 G N 2.163 110.544 108.800 -0.698 0.000 2.232 246 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.226 246 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.226 246 G C -0.210 174.102 174.900 -0.981 0.000 0.996 246 G CA -0.449 44.012 45.100 -1.065 0.000 0.626 246 G HN 0.457 nan 8.290 nan 0.000 0.509 247 L N 0.173 121.005 121.223 -0.653 0.000 2.342 247 L HA 0.704 5.044 4.340 -0.000 0.000 0.271 247 L C 1.583 178.293 176.870 -0.266 0.000 1.008 247 L CA -1.011 53.593 54.840 -0.394 0.000 0.818 247 L CB 1.635 43.538 42.059 -0.261 0.000 1.296 247 L HN 0.384 nan 8.230 nan 0.000 0.427 248 R N 0.425 120.837 120.500 -0.146 0.000 3.707 248 R HA -0.323 4.017 4.340 -0.000 0.000 0.504 248 R C 1.615 177.850 176.300 -0.107 0.000 0.241 248 R CA 1.855 57.903 56.100 -0.087 0.000 1.576 248 R CB -1.570 28.715 30.300 -0.025 0.000 0.924 248 R HN 0.866 nan 8.270 nan 0.000 0.597 249 S N 0.749 116.395 115.700 -0.090 0.000 2.442 249 S HA -0.064 4.406 4.470 -0.000 0.000 0.236 249 S C 1.048 175.576 174.600 -0.121 0.000 1.007 249 S CA 1.546 59.696 58.200 -0.083 0.000 0.965 249 S CB -0.122 63.048 63.200 -0.050 0.000 0.773 249 S HN 0.434 nan 8.310 nan 0.000 0.504 250 N N 1.150 119.736 118.700 -0.189 0.000 2.321 250 N HA 0.446 5.186 4.740 -0.000 0.000 0.242 250 N C 1.070 176.415 175.510 -0.274 0.000 1.141 250 N CA 0.590 53.499 53.050 -0.234 0.000 0.864 250 N CB 0.544 38.844 38.487 -0.311 0.000 1.100 250 N HN 0.535 nan 8.380 nan 0.000 0.510 251 A N 0.880 123.560 122.820 -0.232 0.000 2.067 251 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 251 A C 1.729 179.207 177.584 -0.177 0.000 1.158 251 A CA 1.233 53.124 52.037 -0.243 0.000 0.661 251 A CB -0.114 18.783 19.000 -0.171 0.000 0.801 251 A HN 0.355 nan 8.150 nan 0.000 0.452 252 D N 0.026 120.346 120.400 -0.134 0.000 2.347 252 D HA -0.080 4.560 4.640 -0.000 0.000 0.213 252 D C 0.196 176.447 176.300 -0.080 0.000 0.985 252 D CA 0.284 54.231 54.000 -0.088 0.000 0.879 252 D CB -0.445 40.315 40.800 -0.067 0.000 0.919 252 D HN 0.542 nan 8.370 nan 0.000 0.526 253 E N 1.465 121.596 120.200 -0.116 0.000 2.346 253 E HA 0.031 4.381 4.350 -0.000 0.000 0.317 253 E C 0.937 177.514 176.600 -0.038 0.000 1.404 253 E CA -0.086 56.261 56.400 -0.088 0.000 1.534 253 E CB 0.069 29.686 29.700 -0.138 0.000 1.309 253 E HN 0.377 nan 8.360 nan 0.000 0.499 254 T N -2.449 112.103 114.554 -0.002 0.000 2.951 254 T HA -0.074 4.276 4.350 -0.000 0.000 0.268 254 T C 1.975 176.738 174.700 0.105 0.000 1.073 254 T CA 0.702 62.844 62.100 0.069 0.000 1.134 254 T CB 0.132 69.027 68.868 0.045 0.000 0.884 254 T HN 0.250 nan 8.240 nan 0.000 0.479 255 A N 1.853 124.711 122.820 0.065 0.000 1.898 255 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 255 A C 2.318 179.960 177.584 0.098 0.000 1.181 255 A CA 1.778 53.857 52.037 0.070 0.000 0.620 255 A CB -0.722 18.300 19.000 0.038 0.000 0.819 255 A HN 0.547 nan 8.150 nan 0.000 0.442 256 E N -1.021 119.236 120.200 0.096 0.000 2.047 256 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 256 E C 1.790 178.494 176.600 0.174 0.000 0.987 256 E CA 1.642 58.122 56.400 0.134 0.000 0.799 256 E CB -0.615 29.125 29.700 0.067 0.000 0.752 256 E HN 0.612 nan 8.360 nan 0.000 0.449 257 Y N 1.286 121.611 120.300 0.041 0.000 2.145 257 Y HA -0.195 4.356 4.550 0.000 0.000 0.286 257 Y C 1.724 177.717 175.900 0.155 0.000 1.145 257 Y CA 2.368 60.522 58.100 0.090 0.000 1.148 257 Y CB -0.399 38.083 38.460 0.036 0.000 0.981 257 Y HN 0.097 nan 8.280 nan 0.000 0.507 258 D N -0.181 120.286 120.400 0.111 0.000 2.123 258 D HA -0.182 4.458 4.640 -0.000 0.000 0.196 258 D C 1.758 178.102 176.300 0.074 0.000 0.992 258 D CA 1.802 55.843 54.000 0.069 0.000 0.833 258 D CB -0.506 40.366 40.800 0.119 0.000 0.954 258 D HN 0.452 nan 8.370 nan 0.000 0.455 259 D N -0.313 120.147 120.400 0.100 0.000 2.183 259 D HA -0.006 4.634 4.640 -0.000 0.000 0.203 259 D C 1.897 178.264 176.300 0.111 0.000 0.969 259 D CA 1.106 55.174 54.000 0.114 0.000 0.842 259 D CB 0.002 40.891 40.800 0.149 0.000 0.957 259 D HN 0.099 nan 8.370 nan 0.000 0.484 260 A N -0.281 122.609 122.820 0.117 0.000 1.933 260 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 260 A C 2.407 180.091 177.584 0.167 0.000 1.175 260 A CA 1.288 53.425 52.037 0.166 0.000 0.628 260 A CB -0.692 18.462 19.000 0.257 0.000 0.814 260 A HN 0.194 nan 8.150 nan 0.000 0.444 261 V N -0.357 119.596 119.914 0.065 0.000 2.295 261 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 261 V C 2.613 178.666 176.094 -0.069 0.000 1.049 261 V CA 2.334 64.654 62.300 0.034 0.000 1.024 261 V CB -0.774 31.028 31.823 -0.035 0.000 0.648 261 V HN 0.576 nan 8.190 nan 0.000 0.447 262 R N -0.157 120.335 120.500 -0.013 0.000 2.094 262 R HA -0.160 4.180 4.340 -0.000 0.000 0.239 262 R C 2.180 178.462 176.300 -0.031 0.000 1.137 262 R CA 1.929 58.015 56.100 -0.023 0.000 0.943 262 R CB -0.717 29.598 30.300 0.025 0.000 0.850 262 R HN 0.384 nan 8.270 nan 0.000 0.433 263 V N 0.564 120.486 119.914 0.013 0.000 2.343 263 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 263 V C 2.323 178.423 176.094 0.010 0.000 1.051 263 V CA 1.894 64.211 62.300 0.028 0.000 1.036 263 V CB -0.856 30.997 31.823 0.049 0.000 0.654 263 V HN 0.546 nan 8.190 nan 0.000 0.451 264 A N 0.142 122.931 122.820 -0.051 0.000 1.892 264 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 264 A C 2.189 179.694 177.584 -0.132 0.000 1.188 264 A CA 2.243 54.202 52.037 -0.131 0.000 0.631 264 A CB -0.578 18.213 19.000 -0.348 0.000 0.822 264 A HN 0.514 nan 8.150 nan 0.000 0.447 265 I N -0.471 119.886 120.570 -0.354 0.000 2.142 265 I HA -0.278 3.892 4.170 -0.000 0.000 0.240 265 I C 3.005 179.180 176.117 0.097 0.000 1.078 265 I CA 1.190 62.285 61.300 -0.342 0.000 1.343 265 I CB -0.440 37.269 38.000 -0.486 0.000 1.046 265 I HN 0.366 nan 8.210 nan 0.000 0.405 266 A N 0.471 123.320 122.820 0.048 0.000 1.902 266 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 266 A C 2.232 179.907 177.584 0.152 0.000 1.181 266 A CA 1.516 53.612 52.037 0.099 0.000 0.623 266 A CB -0.292 18.747 19.000 0.064 0.000 0.818 266 A HN 0.318 nan 8.150 nan 0.000 0.443 267 M N -1.416 118.292 119.600 0.179 0.000 2.501 267 M HA 0.126 4.606 4.480 -0.000 0.000 0.261 267 M C 1.735 178.204 176.300 0.282 0.000 1.129 267 M CA 1.116 56.570 55.300 0.257 0.000 1.126 267 M CB -0.816 31.980 32.600 0.327 0.000 1.359 267 M HN 0.436 nan 8.290 nan 0.000 0.471 268 G N -0.239 108.730 108.800 0.281 0.000 3.596 268 G HA2 0.425 4.385 3.960 -0.000 0.000 0.274 268 G HA3 0.425 4.385 3.960 -0.000 0.000 0.274 268 G C 0.593 175.611 174.900 0.197 0.000 1.007 268 G CA -0.083 45.165 45.100 0.247 0.000 0.825 268 G HN 0.479 nan 8.290 nan 0.000 0.508 269 G N 0.073 109.050 108.800 0.295 0.000 2.599 269 G HA2 0.542 4.502 3.960 -0.000 0.000 0.264 269 G HA3 0.542 4.502 3.960 -0.000 0.000 0.264 269 G C 0.532 175.380 174.900 -0.087 0.000 1.200 269 G CA 0.201 45.346 45.100 0.074 0.000 0.896 269 G HN 0.558 nan 8.290 nan 0.000 0.536 270 A N -0.145 122.548 122.820 -0.212 0.000 2.520 270 A HA 0.179 4.499 4.320 -0.000 0.000 0.235 270 A C 1.499 179.049 177.584 -0.056 0.000 1.065 270 A CA 0.270 52.220 52.037 -0.145 0.000 0.764 270 A CB 0.191 19.091 19.000 -0.167 0.000 1.002 270 A HN 0.821 nan 8.150 nan 0.000 0.502 271 Q N 1.140 120.914 119.800 -0.044 0.000 2.112 271 Q HA -0.246 4.094 4.340 -0.000 0.000 0.206 271 Q C 1.936 177.932 176.000 -0.007 0.000 0.987 271 Q CA 1.975 57.767 55.803 -0.018 0.000 0.858 271 Q CB -0.226 28.500 28.738 -0.021 0.000 0.905 271 Q HN 0.912 nan 8.270 nan 0.000 0.420 272 A N 0.048 122.859 122.820 -0.014 0.000 2.278 272 A HA 0.170 4.490 4.320 -0.000 0.000 0.212 272 A C 0.556 178.144 177.584 0.006 0.000 1.213 272 A CA -0.112 51.922 52.037 -0.005 0.000 0.840 272 A CB -0.033 18.960 19.000 -0.012 0.000 0.866 272 A HN 0.163 nan 8.150 nan 0.000 0.489 273 L N 0.516 121.749 121.223 0.016 0.000 2.380 273 L HA 0.131 4.471 4.340 -0.000 0.000 0.273 273 L C 0.831 177.734 176.870 0.055 0.000 1.138 273 L CA -0.768 54.098 54.840 0.043 0.000 0.832 273 L CB 0.455 42.559 42.059 0.075 0.000 1.124 273 L HN 0.255 nan 8.230 nan 0.000 0.454 274 N N 0.833 119.564 118.700 0.052 0.000 2.364 274 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 274 N C 1.619 177.165 175.510 0.059 0.000 1.022 274 N CA 1.381 54.459 53.050 0.046 0.000 0.883 274 N CB 0.048 38.557 38.487 0.037 0.000 0.965 274 N HN 0.687 nan 8.380 nan 0.000 0.438 275 S N -1.103 114.648 115.700 0.086 0.000 2.562 275 S HA 0.055 4.525 4.470 -0.000 0.000 0.221 275 S C 0.780 175.446 174.600 0.110 0.000 0.975 275 S CA -0.107 58.150 58.200 0.093 0.000 0.918 275 S CB -0.188 63.081 63.200 0.114 0.000 0.772 275 S HN -0.009 nan 8.310 nan 0.000 0.531 276 T N 3.498 118.119 114.554 0.113 0.000 2.761 276 T HA 0.317 4.667 4.350 -0.000 0.000 0.296 276 T C 0.567 175.315 174.700 0.079 0.000 0.934 276 T CA -0.506 61.662 62.100 0.113 0.000 1.091 276 T CB 0.986 69.912 68.868 0.096 0.000 0.896 276 T HN 0.104 nan 8.240 nan 0.000 0.515 277 K N 1.794 122.244 120.400 0.084 0.000 2.374 277 K HA 0.136 4.456 4.320 -0.000 0.000 0.202 277 K C 0.849 177.486 176.600 0.062 0.000 1.040 277 K CA -0.249 56.078 56.287 0.067 0.000 1.085 277 K CB 0.455 32.996 32.500 0.067 0.000 0.873 277 K HN 0.425 nan 8.250 nan 0.000 0.539 278 R N 2.547 123.084 120.500 0.063 0.000 2.570 278 R HA 0.028 4.368 4.340 -0.000 0.000 0.277 278 R C 0.096 176.387 176.300 -0.016 0.000 1.039 278 R CA 0.284 56.394 56.100 0.016 0.000 1.065 278 R CB 0.504 30.812 30.300 0.013 0.000 0.964 278 R HN 0.099 nan 8.270 nan 0.000 0.428 279 S N 4.082 119.756 115.700 -0.043 0.000 2.632 279 S HA 0.254 4.724 4.470 -0.000 0.000 0.271 279 S C -1.863 172.726 174.600 -0.019 0.000 1.260 279 S CA -1.339 56.858 58.200 -0.004 0.000 1.010 279 S CB 1.653 64.878 63.200 0.042 0.000 0.965 279 S HN 0.496 nan 8.310 nan 0.000 0.534 280 P HA -0.124 nan 4.420 nan 0.000 0.216 280 P C 1.213 178.555 177.300 0.070 0.000 1.150 280 P CA 1.217 64.344 63.100 0.045 0.000 0.843 280 P CB -0.081 31.665 31.700 0.076 0.000 0.787 281 W N 0.510 121.762 121.300 -0.079 0.000 2.388 281 W HA -0.156 4.504 4.660 0.000 0.000 0.294 281 W C 1.722 178.154 176.519 -0.144 0.000 1.212 281 W CA 1.229 58.524 57.345 -0.082 0.000 1.271 281 W CB -0.278 29.145 29.460 -0.062 0.000 1.126 281 W HN 0.037 nan 8.180 nan 0.000 0.535 282 Q N -0.390 119.205 119.800 -0.341 0.000 2.167 282 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 282 Q C 2.078 177.699 176.000 -0.632 0.000 0.970 282 Q CA 2.177 57.503 55.803 -0.794 0.000 0.855 282 Q CB -0.413 27.695 28.738 -1.050 0.000 0.911 282 Q HN 0.105 nan 8.270 nan 0.000 0.438 283 T N 0.866 115.222 114.554 -0.329 0.000 2.746 283 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 283 T C 1.923 176.537 174.700 -0.144 0.000 1.039 283 T CA 1.203 63.207 62.100 -0.160 0.000 1.142 283 T CB -0.274 68.543 68.868 -0.085 0.000 0.866 283 T HN 0.390 nan 8.240 nan 0.000 0.444 284 A N 1.562 124.243 122.820 -0.231 0.000 1.877 284 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 284 A C 2.297 179.729 177.584 -0.253 0.000 1.186 284 A CA 1.625 53.512 52.037 -0.250 0.000 0.620 284 A CB -0.715 18.060 19.000 -0.375 0.000 0.822 284 A HN 0.558 nan 8.150 nan 0.000 0.443 285 Q N -0.737 118.814 119.800 -0.416 0.000 2.135 285 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 285 Q C 2.203 178.348 176.000 0.241 0.000 0.981 285 Q CA 1.203 56.929 55.803 -0.129 0.000 0.856 285 Q CB -0.467 28.191 28.738 -0.132 0.000 0.902 285 Q HN 0.697 nan 8.270 nan 0.000 0.425 286 G N 1.078 110.010 108.800 0.220 0.000 2.433 286 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 286 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 286 G C 1.407 176.432 174.900 0.208 0.000 1.186 286 G CA 0.569 45.838 45.100 0.282 0.000 0.779 286 G HN 0.166 nan 8.290 nan 0.000 0.543 287 L N -1.043 120.247 121.223 0.113 0.000 2.056 287 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 287 L C 2.583 179.496 176.870 0.072 0.000 1.078 287 L CA 1.219 56.095 54.840 0.061 0.000 0.749 287 L CB -0.705 41.353 42.059 -0.003 0.000 0.901 287 L HN 0.266 nan 8.230 nan 0.000 0.433 288 Y N 0.097 120.364 120.300 -0.054 0.000 2.132 288 Y HA -0.307 4.243 4.550 -0.000 0.000 0.280 288 Y C 1.859 177.625 175.900 -0.223 0.000 1.193 288 Y CA 1.996 59.990 58.100 -0.176 0.000 1.157 288 Y CB -0.311 38.018 38.460 -0.218 0.000 0.966 288 Y HN 0.103 nan 8.280 nan 0.000 0.511 289 W N -1.029 120.417 121.300 0.243 0.000 3.278 289 W HA 0.330 4.990 4.660 0.000 0.000 0.308 289 W C 2.129 178.740 176.519 0.152 0.000 1.253 289 W CA 0.331 57.817 57.345 0.235 0.000 1.759 289 W CB -0.476 29.170 29.460 0.311 0.000 1.093 289 W HN 0.109 nan 8.180 nan 0.000 0.648 290 A N 0.221 123.201 122.820 0.267 0.000 1.849 290 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 290 A C 0.475 178.183 177.584 0.207 0.000 1.225 290 A CA 1.397 53.543 52.037 0.183 0.000 0.653 290 A CB -1.473 17.558 19.000 0.051 0.000 0.844 290 A HN 0.366 nan 8.150 nan 0.000 0.453 291 Y N -0.105 120.098 120.300 -0.161 0.000 2.981 291 Y HA -0.182 4.368 4.550 -0.000 0.000 0.204 291 Y C 0.060 175.878 175.900 -0.137 0.000 1.265 291 Y CA 0.900 58.881 58.100 -0.197 0.000 0.941 291 Y CB -2.039 36.280 38.460 -0.235 0.000 1.254 291 Y HN 0.503 nan 8.280 nan 0.000 0.469 292 D N 0.614 120.984 120.400 -0.051 0.000 2.870 292 D HA 0.393 5.033 4.640 -0.000 0.000 0.241 292 D C 1.283 177.530 176.300 -0.088 0.000 1.234 292 D CA 1.018 54.997 54.000 -0.034 0.000 0.844 292 D CB -0.338 40.442 40.800 -0.033 0.000 1.051 292 D HN 0.688 nan 8.370 nan 0.000 0.469 293 G N 0.241 108.935 108.800 -0.176 0.000 2.176 293 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.252 293 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.252 293 G C 0.504 175.324 174.900 -0.133 0.000 1.024 293 G CA 0.155 45.120 45.100 -0.224 0.000 0.755 293 G HN 0.371 nan 8.290 nan 0.000 0.507 294 S N 0.189 115.774 115.700 -0.192 0.000 2.600 294 S HA 0.375 4.845 4.470 -0.000 0.000 0.265 294 S C 0.712 175.186 174.600 -0.210 0.000 1.325 294 S CA -0.671 57.413 58.200 -0.194 0.000 1.002 294 S CB 0.530 63.585 63.200 -0.243 0.000 0.921 294 S HN 0.436 nan 8.310 nan 0.000 0.554 295 N N 1.517 120.069 118.700 -0.246 0.000 2.411 295 N HA 0.067 4.807 4.740 -0.000 0.000 0.261 295 N C 0.727 176.029 175.510 -0.346 0.000 1.248 295 N CA 0.313 53.157 53.050 -0.344 0.000 0.885 295 N CB -0.284 37.841 38.487 -0.603 0.000 1.062 295 N HN 0.665 nan 8.380 nan 0.000 0.471 296 L N 0.632 121.692 121.223 -0.273 0.000 4.884 296 L HA -0.308 4.032 4.340 -0.000 0.000 0.430 296 L C 0.726 177.464 176.870 -0.220 0.000 1.087 296 L CA 0.597 55.309 54.840 -0.213 0.000 1.033 296 L CB -1.467 40.463 42.059 -0.216 0.000 2.030 296 L HN 0.602 nan 8.230 nan 0.000 0.762 297 I N -1.988 118.423 120.570 -0.265 0.000 3.873 297 I HA 0.378 4.548 4.170 -0.000 0.000 0.284 297 I C 1.583 177.536 176.117 -0.273 0.000 1.186 297 I CA 0.737 61.814 61.300 -0.372 0.000 1.362 297 I CB 0.673 38.325 38.000 -0.579 0.000 1.432 297 I HN 0.432 nan 8.210 nan 0.000 0.454 298 G N 1.579 110.222 108.800 -0.262 0.000 2.568 298 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.222 298 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.222 298 G C 0.004 174.661 174.900 -0.405 0.000 1.321 298 G CA -0.154 44.737 45.100 -0.349 0.000 0.893 298 G HN 0.390 nan 8.290 nan 0.000 0.569 299 T N -1.575 112.734 114.554 -0.408 0.000 2.937 299 T HA 0.711 5.061 4.350 -0.000 0.000 0.283 299 T C -1.387 173.241 174.700 -0.120 0.000 1.012 299 T CA -0.727 61.226 62.100 -0.245 0.000 0.997 299 T CB 2.135 70.834 68.868 -0.281 0.000 1.136 299 T HN 0.340 nan 8.240 nan 0.000 0.551 300 P HA -0.032 nan 4.420 nan 0.000 0.216 300 P C -1.554 175.251 177.300 -0.825 0.000 1.153 300 P CA 1.361 64.208 63.100 -0.421 0.000 0.858 300 P CB -1.203 30.426 31.700 -0.118 0.000 0.789 301 P HA -0.173 nan 4.420 nan 0.000 0.217 301 P C 1.527 178.658 177.300 -0.281 0.000 1.148 301 P CA 1.467 64.306 63.100 -0.435 0.000 0.828 301 P CB -0.315 31.127 31.700 -0.430 0.000 0.783 302 R N -1.527 118.834 120.500 -0.232 0.000 2.066 302 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 302 R C 2.106 178.335 176.300 -0.119 0.000 1.131 302 R CA 1.272 57.314 56.100 -0.098 0.000 0.955 302 R CB -0.914 29.387 30.300 0.002 0.000 0.851 302 R HN 0.043 nan 8.270 nan 0.000 0.432 303 F N 0.674 120.249 119.950 -0.625 0.000 2.134 303 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 303 F C 1.489 177.089 175.800 -0.334 0.000 1.097 303 F CA 1.100 58.622 58.000 -0.797 0.000 1.264 303 F CB -0.690 37.356 39.000 -1.590 0.000 1.001 303 F HN 0.014 nan 8.300 nan 0.000 0.479 304 Y N 0.494 120.666 120.300 -0.214 0.000 2.207 304 Y HA -0.241 4.308 4.550 -0.000 0.000 0.287 304 Y C 2.543 178.333 175.900 -0.183 0.000 1.156 304 Y CA 1.264 59.220 58.100 -0.239 0.000 1.182 304 Y CB -1.690 36.590 38.460 -0.300 0.000 0.979 304 Y HN 0.201 nan 8.280 nan 0.000 0.521 305 N N 0.011 118.723 118.700 0.019 0.000 2.142 305 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 305 N C 1.750 177.328 175.510 0.114 0.000 1.023 305 N CA 1.152 54.261 53.050 0.099 0.000 0.852 305 N CB -0.196 38.361 38.487 0.117 0.000 0.998 305 N HN 0.549 nan 8.380 nan 0.000 0.424 306 Q N 0.756 120.585 119.800 0.048 0.000 2.096 306 Q HA -0.104 4.236 4.340 -0.000 0.000 0.204 306 Q C 2.201 178.222 176.000 0.036 0.000 0.982 306 Q CA 1.082 56.930 55.803 0.075 0.000 0.850 306 Q CB -0.083 28.729 28.738 0.123 0.000 0.901 306 Q HN 0.432 nan 8.270 nan 0.000 0.422 307 I N -0.011 120.497 120.570 -0.104 0.000 2.179 307 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 307 I C 2.245 178.390 176.117 0.046 0.000 1.088 307 I CA 0.876 62.130 61.300 -0.077 0.000 1.357 307 I CB -0.329 37.586 38.000 -0.142 0.000 1.051 307 I HN 0.036 nan 8.210 nan 0.000 0.409 308 V N 0.951 120.897 119.914 0.054 0.000 2.469 308 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 308 V C 2.548 178.656 176.094 0.025 0.000 1.064 308 V CA 1.771 64.068 62.300 -0.006 0.000 1.066 308 V CB -0.842 30.873 31.823 -0.180 0.000 0.667 308 V HN 0.381 nan 8.190 nan 0.000 0.461 309 R N -0.194 120.412 120.500 0.177 0.000 2.083 309 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 309 R C 2.536 178.887 176.300 0.085 0.000 1.137 309 R CA 1.925 58.156 56.100 0.217 0.000 0.951 309 R CB -0.433 30.042 30.300 0.291 0.000 0.851 309 R HN 0.453 nan 8.270 nan 0.000 0.434 310 R N 1.110 121.725 120.500 0.192 0.000 2.073 310 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 310 R C 2.162 178.490 176.300 0.047 0.000 1.134 310 R CA 1.442 57.657 56.100 0.192 0.000 0.952 310 R CB -0.255 30.159 30.300 0.189 0.000 0.850 310 R HN 0.172 nan 8.270 nan 0.000 0.433 311 I N 1.008 121.610 120.570 0.053 0.000 2.163 311 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 311 I C 2.636 178.798 176.117 0.075 0.000 1.085 311 I CA 1.391 62.733 61.300 0.070 0.000 1.347 311 I CB -0.527 37.512 38.000 0.064 0.000 1.044 311 I HN 0.353 nan 8.210 nan 0.000 0.408 312 A N 0.542 123.392 122.820 0.049 0.000 1.865 312 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 312 A C 2.415 180.061 177.584 0.103 0.000 1.191 312 A CA 2.206 54.315 52.037 0.119 0.000 0.623 312 A CB -1.085 17.814 19.000 -0.168 0.000 0.826 312 A HN 0.257 nan 8.150 nan 0.000 0.444 313 V N -0.323 119.480 119.914 -0.184 0.000 2.427 313 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 313 V C 2.707 178.759 176.094 -0.070 0.000 1.051 313 V CA 2.358 64.549 62.300 -0.182 0.000 1.048 313 V CB -1.294 30.148 31.823 -0.636 0.000 0.666 313 V HN 0.622 nan 8.190 nan 0.000 0.456 314 T N -0.793 113.676 114.554 -0.142 0.000 2.746 314 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 314 T C 1.234 175.657 174.700 -0.462 0.000 1.039 314 T CA 1.663 63.562 62.100 -0.333 0.000 1.142 314 T CB -0.307 68.246 68.868 -0.525 0.000 0.866 314 T HN 0.533 nan 8.240 nan 0.000 0.444 315 Y N 2.215 122.546 120.300 0.053 0.000 2.708 315 Y HA 0.301 4.851 4.550 -0.000 0.000 0.287 315 Y C 0.758 176.799 175.900 0.235 0.000 1.145 315 Y CA -1.173 56.983 58.100 0.094 0.000 1.249 315 Y CB -0.395 38.024 38.460 -0.069 0.000 1.152 315 Y HN 0.190 nan 8.280 nan 0.000 0.532 316 K N -0.142 120.440 120.400 0.304 0.000 2.295 316 K HA 0.145 4.465 4.320 -0.000 0.000 0.270 316 K C 0.384 177.107 176.600 0.205 0.000 1.011 316 K CA -0.350 56.121 56.287 0.308 0.000 0.953 316 K CB 1.115 33.797 32.500 0.304 0.000 0.956 316 K HN 0.156 nan 8.250 nan 0.000 0.477 317 K N 0.948 121.443 120.400 0.159 0.000 2.103 317 K HA -0.058 4.262 4.320 -0.000 0.000 0.204 317 K C 0.063 176.711 176.600 0.080 0.000 1.052 317 K CA 1.221 57.578 56.287 0.117 0.000 0.945 317 K CB 0.129 32.685 32.500 0.094 0.000 0.722 317 K HN 0.635 nan 8.250 nan 0.000 0.443 318 E N 0.067 120.300 120.200 0.055 0.000 2.227 318 E HA 0.105 4.455 4.350 -0.000 0.000 0.268 318 E C 0.072 176.704 176.600 0.052 0.000 0.907 318 E CA -0.454 55.973 56.400 0.045 0.000 0.786 318 E CB 1.729 31.444 29.700 0.024 0.000 1.191 318 E HN -0.014 nan 8.360 nan 0.000 0.411 319 E N 0.674 120.905 120.200 0.051 0.000 2.208 319 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 319 E C -0.035 176.599 176.600 0.057 0.000 0.988 319 E CA 0.776 57.210 56.400 0.056 0.000 0.828 319 E CB -0.027 29.702 29.700 0.050 0.000 0.763 319 E HN 0.402 nan 8.360 nan 0.000 0.478 320 D N 0.563 120.992 120.400 0.048 0.000 2.344 320 D HA 0.054 4.694 4.640 -0.000 0.000 0.253 320 D C 1.071 177.403 176.300 0.054 0.000 1.255 320 D CA 0.020 54.050 54.000 0.050 0.000 0.894 320 D CB 0.442 41.268 40.800 0.043 0.000 1.067 320 D HN -0.050 nan 8.370 nan 0.000 0.492 321 L N 3.118 124.387 121.223 0.077 0.000 2.093 321 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 321 L C 2.259 179.181 176.870 0.086 0.000 1.085 321 L CA 1.050 55.954 54.840 0.107 0.000 0.755 321 L CB -0.220 41.913 42.059 0.124 0.000 0.904 321 L HN 0.481 nan 8.230 nan 0.000 0.435 322 A N 0.323 123.190 122.820 0.078 0.000 1.841 322 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 322 A C 1.668 179.308 177.584 0.095 0.000 1.195 322 A CA 1.595 53.683 52.037 0.085 0.000 0.611 322 A CB -0.358 18.686 19.000 0.074 0.000 0.835 322 A HN 0.472 nan 8.150 nan 0.000 0.443 323 N N -0.215 118.531 118.700 0.077 0.000 2.238 323 N HA 0.074 4.814 4.740 -0.000 0.000 0.222 323 N C -0.188 175.362 175.510 0.066 0.000 1.133 323 N CA 0.209 53.311 53.050 0.086 0.000 0.854 323 N CB 0.606 39.138 38.487 0.075 0.000 1.041 323 N HN 0.276 nan 8.380 nan 0.000 0.510 324 S N 1.166 116.885 115.700 0.032 0.000 2.411 324 S HA 0.129 4.599 4.470 -0.000 0.000 0.294 324 S C 1.164 175.758 174.600 -0.010 0.000 1.115 324 S CA -0.435 57.769 58.200 0.007 0.000 1.071 324 S CB 0.945 64.132 63.200 -0.022 0.000 0.967 324 S HN 0.016 nan 8.310 nan 0.000 0.488 325 E N 3.749 123.977 120.200 0.046 0.000 2.204 325 E HA -0.071 4.279 4.350 -0.000 0.000 0.194 325 E C 2.006 178.638 176.600 0.054 0.000 0.989 325 E CA 0.732 57.189 56.400 0.094 0.000 0.824 325 E CB -0.210 29.574 29.700 0.140 0.000 0.756 325 E HN 0.602 nan 8.360 nan 0.000 0.477 326 V N 2.248 122.172 119.914 0.016 0.000 2.295 326 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 326 V C 1.963 177.987 176.094 -0.117 0.000 1.049 326 V CA 1.696 63.998 62.300 0.004 0.000 1.024 326 V CB -0.496 31.335 31.823 0.012 0.000 0.648 326 V HN 0.201 nan 8.190 nan 0.000 0.447 327 N N 0.724 119.276 118.700 -0.247 0.000 2.120 327 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 327 N C 1.678 176.687 175.510 -0.835 0.000 1.024 327 N CA 1.417 54.078 53.050 -0.648 0.000 0.852 327 N CB -0.633 37.509 38.487 -0.575 0.000 1.003 327 N HN 0.455 nan 8.380 nan 0.000 0.424 328 N N 1.188 119.601 118.700 -0.478 0.000 2.069 328 N HA -0.102 4.638 4.740 -0.000 0.000 0.191 328 N C 1.650 176.833 175.510 -0.545 0.000 1.031 328 N CA 1.410 54.152 53.050 -0.513 0.000 0.852 328 N CB -0.597 37.615 38.487 -0.459 0.000 1.018 328 N HN 0.254 nan 8.380 nan 0.000 0.423 329 A N 0.757 123.397 122.820 -0.299 0.000 1.902 329 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 329 A C 2.052 179.766 177.584 0.216 0.000 1.181 329 A CA 1.859 53.902 52.037 0.010 0.000 0.623 329 A CB -0.760 18.484 19.000 0.407 0.000 0.818 329 A HN 0.283 nan 8.150 nan 0.000 0.443 330 D N -0.866 119.581 120.400 0.079 0.000 2.087 330 D HA -0.163 4.477 4.640 -0.000 0.000 0.192 330 D C 1.648 178.121 176.300 0.288 0.000 0.993 330 D CA 1.558 55.666 54.000 0.180 0.000 0.828 330 D CB -0.315 40.486 40.800 0.002 0.000 0.968 330 D HN 0.308 nan 8.370 nan 0.000 0.448 331 F N 0.988 121.023 119.950 0.142 0.000 2.134 331 F HA 0.048 4.575 4.527 -0.000 0.000 0.299 331 F C 2.562 178.514 175.800 0.254 0.000 1.097 331 F CA 0.767 58.897 58.000 0.215 0.000 1.264 331 F CB -1.488 37.611 39.000 0.166 0.000 1.001 331 F HN 0.022 nan 8.300 nan 0.000 0.479 332 A N -0.012 122.964 122.820 0.260 0.000 1.902 332 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 332 A C 2.331 180.178 177.584 0.438 0.000 1.181 332 A CA 2.013 54.179 52.037 0.216 0.000 0.623 332 A CB -0.644 18.213 19.000 -0.239 0.000 0.818 332 A HN 0.240 nan 8.150 nan 0.000 0.443 333 R N -0.451 120.335 120.500 0.477 0.000 2.062 333 R HA -0.027 4.313 4.340 -0.000 0.000 0.229 333 R C 1.933 178.247 176.300 0.022 0.000 1.128 333 R CA 1.591 57.919 56.100 0.380 0.000 0.960 333 R CB -1.026 29.453 30.300 0.297 0.000 0.855 333 R HN 0.418 nan 8.270 nan 0.000 0.432 334 L N -0.172 120.938 121.223 -0.189 0.000 1.989 334 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 334 L C 1.901 178.519 176.870 -0.420 0.000 1.071 334 L CA 1.891 56.362 54.840 -0.615 0.000 0.749 334 L CB -0.720 40.968 42.059 -0.618 0.000 0.890 334 L HN 0.207 nan 8.230 nan 0.000 0.431 335 F N -0.300 119.539 119.950 -0.185 0.000 2.234 335 F HA -0.104 4.422 4.527 -0.000 0.000 0.299 335 F C 2.427 178.068 175.800 -0.264 0.000 1.087 335 F CA 1.120 58.919 58.000 -0.336 0.000 1.340 335 F CB -0.975 37.663 39.000 -0.603 0.000 1.031 335 F HN 0.223 nan 8.300 nan 0.000 0.500 336 A N 0.310 123.180 122.820 0.083 0.000 1.858 336 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 336 A C 2.228 179.772 177.584 -0.067 0.000 1.190 336 A CA 1.418 53.480 52.037 0.041 0.000 0.617 336 A CB -1.061 17.959 19.000 0.033 0.000 0.827 336 A HN 0.341 nan 8.150 nan 0.000 0.443 337 L N -0.625 120.540 121.223 -0.097 0.000 1.989 337 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 337 L C 2.589 179.404 176.870 -0.091 0.000 1.071 337 L CA 1.388 56.182 54.840 -0.077 0.000 0.749 337 L CB -0.704 41.318 42.059 -0.062 0.000 0.890 337 L HN 0.248 nan 8.230 nan 0.000 0.431 338 V N -0.184 119.626 119.914 -0.174 0.000 2.287 338 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 338 V C 2.060 178.069 176.094 -0.142 0.000 1.053 338 V CA 2.095 64.275 62.300 -0.199 0.000 1.027 338 V CB -0.495 31.133 31.823 -0.324 0.000 0.646 338 V HN 0.466 nan 8.190 nan 0.000 0.447 339 D N -0.611 119.726 120.400 -0.105 0.000 2.224 339 D HA -0.062 4.578 4.640 -0.000 0.000 0.205 339 D C 2.080 178.350 176.300 -0.051 0.000 0.965 339 D CA 0.816 54.783 54.000 -0.054 0.000 0.852 339 D CB 0.105 40.920 40.800 0.024 0.000 0.947 339 D HN 0.322 nan 8.370 nan 0.000 0.494 340 V N 1.289 121.184 119.914 -0.032 0.000 2.379 340 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 340 V C 2.527 178.606 176.094 -0.025 0.000 1.044 340 V CA 1.607 63.906 62.300 -0.002 0.000 1.036 340 V CB -0.551 31.296 31.823 0.040 0.000 0.664 340 V HN 0.149 nan 8.190 nan 0.000 0.453 341 A N -1.232 121.576 122.820 -0.020 0.000 1.933 341 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 341 A C 2.393 179.967 177.584 -0.017 0.000 1.175 341 A CA 2.066 54.094 52.037 -0.015 0.000 0.628 341 A CB -1.176 17.803 19.000 -0.036 0.000 0.814 341 A HN 0.581 nan 8.150 nan 0.000 0.444 342 C N -1.034 118.240 119.300 -0.044 0.000 2.429 342 C HA -0.085 4.375 4.460 -0.000 0.000 0.277 342 C C 3.022 178.044 174.990 0.052 0.000 1.262 342 C CA 1.929 60.951 59.018 0.007 0.000 1.733 342 C CB -1.460 26.216 27.740 -0.107 0.000 2.010 342 C HN 0.634 nan 8.230 nan 0.000 0.483 343 T N 0.468 114.958 114.554 -0.105 0.000 2.652 343 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 343 T C 1.352 175.964 174.700 -0.147 0.000 1.039 343 T CA 2.009 63.965 62.100 -0.241 0.000 1.153 343 T CB -0.453 67.987 68.868 -0.713 0.000 0.863 343 T HN 0.550 nan 8.240 nan 0.000 0.428 344 D N 1.120 121.461 120.400 -0.098 0.000 2.178 344 D HA 0.018 4.658 4.640 -0.000 0.000 0.201 344 D C 2.307 178.708 176.300 0.168 0.000 0.980 344 D CA 1.045 55.078 54.000 0.056 0.000 0.842 344 D CB -0.405 40.500 40.800 0.175 0.000 0.948 344 D HN 0.396 nan 8.370 nan 0.000 0.472 345 A N 0.784 123.681 122.820 0.127 0.000 1.902 345 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 345 A C 2.384 180.009 177.584 0.067 0.000 1.181 345 A CA 2.029 54.124 52.037 0.098 0.000 0.623 345 A CB -1.016 18.039 19.000 0.091 0.000 0.818 345 A HN 0.304 nan 8.150 nan 0.000 0.443 346 G N -0.028 108.879 108.800 0.177 0.000 2.422 346 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 346 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 346 G C 1.524 176.528 174.900 0.174 0.000 1.146 346 G CA 1.080 46.280 45.100 0.166 0.000 0.769 346 G HN 0.481 nan 8.290 nan 0.000 0.547 347 I N -0.279 120.327 120.570 0.060 0.000 2.142 347 I HA -0.129 4.041 4.170 -0.000 0.000 0.240 347 I C 2.442 178.430 176.117 -0.215 0.000 1.078 347 I CA 1.081 62.280 61.300 -0.168 0.000 1.343 347 I CB -0.306 37.397 38.000 -0.495 0.000 1.046 347 I HN 0.071 nan 8.210 nan 0.000 0.405 348 F N 1.132 121.094 119.950 0.019 0.000 2.234 348 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 348 F C 2.930 178.725 175.800 -0.008 0.000 1.087 348 F CA 1.460 59.450 58.000 -0.016 0.000 1.340 348 F CB -0.852 38.114 39.000 -0.057 0.000 1.031 348 F HN 0.124 nan 8.300 nan 0.000 0.500 349 S N -0.824 114.960 115.700 0.141 0.000 2.383 349 S HA -0.215 4.255 4.470 -0.000 0.000 0.227 349 S C 2.041 176.661 174.600 0.032 0.000 1.026 349 S CA 0.677 58.890 58.200 0.022 0.000 0.981 349 S CB -1.119 62.036 63.200 -0.075 0.000 0.818 349 S HN 0.498 nan 8.310 nan 0.000 0.472 350 W N 2.310 123.584 121.300 -0.044 0.000 2.388 350 W HA 0.030 4.690 4.660 -0.000 0.000 0.294 350 W C 2.553 179.152 176.519 0.134 0.000 1.212 350 W CA 1.303 58.683 57.345 0.059 0.000 1.271 350 W CB -0.191 29.355 29.460 0.145 0.000 1.126 350 W HN 0.416 nan 8.180 nan 0.000 0.535 351 K N 0.655 121.173 120.400 0.198 0.000 2.009 351 K HA -0.211 4.109 4.320 -0.000 0.000 0.210 351 K C 1.727 178.369 176.600 0.071 0.000 1.049 351 K CA 1.571 57.922 56.287 0.106 0.000 0.929 351 K CB -0.132 32.368 32.500 -0.000 0.000 0.714 351 K HN -0.091 nan 8.250 nan 0.000 0.440 352 E N 0.922 121.151 120.200 0.049 0.000 2.106 352 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 352 E C 1.955 178.596 176.600 0.068 0.000 0.984 352 E CA 1.051 57.479 56.400 0.047 0.000 0.806 352 E CB -0.044 29.739 29.700 0.139 0.000 0.750 352 E HN 0.326 nan 8.360 nan 0.000 0.458 353 K N -0.138 120.212 120.400 -0.083 0.000 2.001 353 K HA -0.180 4.140 4.320 -0.000 0.000 0.214 353 K C 2.023 178.437 176.600 -0.311 0.000 1.050 353 K CA 1.755 57.873 56.287 -0.282 0.000 0.934 353 K CB -0.310 31.736 32.500 -0.758 0.000 0.718 353 K HN 0.185 nan 8.250 nan 0.000 0.443 354 W N 0.953 122.165 121.300 -0.147 0.000 2.800 354 W HA -0.070 4.589 4.660 -0.000 0.000 0.249 354 W C 2.145 178.631 176.519 -0.055 0.000 1.294 354 W CA 0.312 57.579 57.345 -0.130 0.000 1.402 354 W CB 0.055 29.406 29.460 -0.181 0.000 1.126 354 W HN 0.240 nan 8.180 nan 0.000 0.652 355 E N 0.386 120.619 120.200 0.053 0.000 2.028 355 E HA -0.165 4.185 4.350 -0.000 0.000 0.190 355 E C 1.578 178.083 176.600 -0.157 0.000 0.984 355 E CA 1.627 57.945 56.400 -0.137 0.000 0.800 355 E CB -0.739 28.706 29.700 -0.424 0.000 0.758 355 E HN 0.214 nan 8.360 nan 0.000 0.448 356 F N 0.843 120.873 119.950 0.134 0.000 2.335 356 F HA 0.242 4.769 4.527 -0.000 0.000 0.296 356 F C 0.702 176.609 175.800 0.178 0.000 1.091 356 F CA 1.060 59.148 58.000 0.147 0.000 1.399 356 F CB -0.235 38.873 39.000 0.179 0.000 1.067 356 F HN -0.003 nan 8.300 nan 0.000 0.520 357 E N -0.336 120.040 120.200 0.294 0.000 2.360 357 E HA -0.281 4.069 4.350 -0.000 0.000 0.238 357 E C -0.292 176.516 176.600 0.348 0.000 1.186 357 E CA -0.098 56.435 56.400 0.222 0.000 0.719 357 E CB -1.822 28.059 29.700 0.302 0.000 1.236 357 E HN 0.244 nan 8.360 nan 0.000 0.386 358 F N 1.578 121.674 119.950 0.244 0.000 2.484 358 F HA 0.204 4.731 4.527 -0.000 0.000 0.360 358 F C 0.854 176.967 175.800 0.521 0.000 1.101 358 F CA -0.590 57.593 58.000 0.305 0.000 1.251 358 F CB 0.422 39.597 39.000 0.292 0.000 1.132 358 F HN 0.110 nan 8.300 nan 0.000 0.570 359 W N 6.317 127.634 121.300 0.028 0.000 2.126 359 W HA 0.416 5.076 4.660 0.001 0.000 0.346 359 W C -0.509 176.281 176.519 0.453 0.000 1.279 359 W CA -1.577 55.897 57.345 0.216 0.000 1.259 359 W CB -0.209 29.300 29.460 0.080 0.000 1.133 359 W HN 0.388 nan 8.180 nan 0.000 0.592 360 R N 2.088 122.854 120.500 0.445 0.000 2.615 360 R HA 0.148 4.488 4.340 -0.000 0.000 0.270 360 R C -1.368 174.803 176.300 -0.215 0.000 1.081 360 R CA -1.898 54.272 56.100 0.118 0.000 1.154 360 R CB -0.316 29.958 30.300 -0.043 0.000 1.063 360 R HN 0.197 nan 8.270 nan 0.000 0.519 361 P HA -0.175 nan 4.420 nan 0.000 0.216 361 P C 1.386 178.471 177.300 -0.359 0.000 1.150 361 P CA 0.852 63.317 63.100 -1.059 0.000 0.843 361 P CB 0.144 31.258 31.700 -0.976 0.000 0.787 362 L N -0.540 120.612 121.223 -0.119 0.000 1.990 362 L HA -0.197 4.142 4.340 -0.000 0.000 0.213 362 L C 2.135 178.939 176.870 -0.110 0.000 1.072 362 L CA 2.160 57.013 54.840 0.022 0.000 0.755 362 L CB -1.380 40.616 42.059 -0.105 0.000 0.889 362 L HN -0.116 nan 8.230 nan 0.000 0.432 363 S N -0.410 115.141 115.700 -0.249 0.000 2.371 363 S HA -0.042 4.427 4.470 -0.000 0.000 0.224 363 S C 1.897 176.006 174.600 -0.819 0.000 1.029 363 S CA 0.869 58.849 58.200 -0.366 0.000 0.978 363 S CB -0.921 62.150 63.200 -0.213 0.000 0.833 363 S HN 0.696 nan 8.310 nan 0.000 0.466 364 G N 1.530 109.634 108.800 -1.161 0.000 2.446 364 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 364 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 364 G C 1.436 176.044 174.900 -0.487 0.000 1.168 364 G CA 1.147 45.449 45.100 -1.331 0.000 0.771 364 G HN 0.427 nan 8.290 nan 0.000 0.551 365 V N 0.437 120.147 119.914 -0.340 0.000 2.379 365 V HA -0.103 4.016 4.120 -0.000 0.000 0.245 365 V C 2.899 178.883 176.094 -0.185 0.000 1.044 365 V CA 1.866 64.002 62.300 -0.273 0.000 1.036 365 V CB -0.453 31.065 31.823 -0.508 0.000 0.664 365 V HN 0.286 nan 8.190 nan 0.000 0.453 366 R N 0.180 120.583 120.500 -0.161 0.000 2.075 366 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 366 R C 1.495 177.699 176.300 -0.161 0.000 1.126 366 R CA 1.508 57.520 56.100 -0.148 0.000 0.963 366 R CB -0.236 29.989 30.300 -0.125 0.000 0.858 366 R HN 0.488 nan 8.270 nan 0.000 0.435 367 D N -0.022 120.267 120.400 -0.186 0.000 2.325 367 D HA -0.042 4.598 4.640 -0.000 0.000 0.225 367 D C 0.699 177.005 176.300 0.011 0.000 1.096 367 D CA 0.344 54.298 54.000 -0.076 0.000 0.844 367 D CB 0.173 40.979 40.800 0.011 0.000 0.925 367 D HN 0.177 nan 8.370 nan 0.000 0.513 368 D N 0.581 120.967 120.400 -0.022 0.000 2.133 368 D HA -0.184 4.456 4.640 -0.000 0.000 0.195 368 D C 1.844 178.188 176.300 0.074 0.000 0.997 368 D CA 2.595 56.645 54.000 0.084 0.000 0.840 368 D CB 0.125 40.969 40.800 0.074 0.000 0.947 368 D HN 0.264 nan 8.370 nan 0.000 0.452 369 G N -0.623 108.198 108.800 0.035 0.000 2.299 369 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.237 369 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.237 369 G C 0.329 175.256 174.900 0.045 0.000 1.027 369 G CA 0.227 45.345 45.100 0.031 0.000 0.619 369 G HN 0.450 nan 8.290 nan 0.000 0.513 370 R N 1.352 121.897 120.500 0.076 0.000 2.196 370 R HA 0.412 4.752 4.340 -0.000 0.000 0.340 370 R C -1.502 174.870 176.300 0.120 0.000 1.043 370 R CA -1.581 54.591 56.100 0.120 0.000 0.883 370 R CB 1.237 31.652 30.300 0.193 0.000 1.078 370 R HN 0.115 nan 8.270 nan 0.000 0.462 371 P HA -0.238 nan 4.420 nan 0.000 0.217 371 P C 0.370 177.690 177.300 0.033 0.000 1.151 371 P CA 1.373 64.504 63.100 0.052 0.000 0.849 371 P CB 0.180 31.907 31.700 0.044 0.000 0.787 372 D N -3.269 117.147 120.400 0.027 0.000 2.325 372 D HA -0.062 4.578 4.640 -0.000 0.000 0.225 372 D C 1.076 177.210 176.300 -0.277 0.000 1.096 372 D CA 0.505 54.446 54.000 -0.098 0.000 0.844 372 D CB -0.511 40.214 40.800 -0.125 0.000 0.925 372 D HN 0.330 nan 8.370 nan 0.000 0.513 373 H N -0.579 118.491 119.070 -0.000 0.000 2.602 373 H HA 0.243 4.799 4.556 0.000 0.000 0.222 373 H C 1.208 176.506 175.328 -0.050 0.000 0.886 373 H CA 0.411 56.453 56.048 -0.011 0.000 1.008 373 H CB 0.762 30.539 29.762 0.024 0.000 1.380 373 H HN 0.164 nan 8.280 nan 0.000 0.417 374 G N 0.384 109.235 108.800 0.086 0.000 2.557 374 G HA2 0.298 4.258 3.960 -0.000 0.000 0.292 374 G HA3 0.298 4.258 3.960 -0.000 0.000 0.292 374 G C -0.970 173.901 174.900 -0.048 0.000 1.237 374 G CA -0.088 45.002 45.100 -0.016 0.000 0.978 374 G HN 0.149 nan 8.290 nan 0.000 0.498 375 D N -0.596 119.756 120.400 -0.080 0.000 2.323 375 D HA 0.321 4.961 4.640 -0.000 0.000 0.242 375 D C -2.033 174.216 176.300 -0.085 0.000 1.347 375 D CA -1.650 52.337 54.000 -0.021 0.000 0.988 375 D CB 1.919 42.732 40.800 0.023 0.000 1.314 375 D HN -0.049 nan 8.370 nan 0.000 0.564 376 P HA 0.007 nan 4.420 nan 0.000 0.226 376 P C 0.255 177.030 177.300 -0.874 0.000 1.146 376 P CA 0.873 63.583 63.100 -0.650 0.000 0.773 376 P CB -0.034 31.092 31.700 -0.956 0.000 0.772 377 F N -4.704 115.291 119.950 0.074 0.000 2.764 377 F HA 0.304 4.831 4.527 0.000 0.000 0.310 377 F C 0.601 176.464 175.800 0.106 0.000 1.124 377 F CA -1.252 56.785 58.000 0.062 0.000 1.252 377 F CB -0.687 38.336 39.000 0.038 0.000 1.010 377 F HN -0.145 nan 8.300 nan 0.000 0.518 378 W N 2.821 124.119 121.300 -0.004 0.000 2.158 378 W HA 0.533 5.193 4.660 -0.000 0.000 0.339 378 W C -1.021 175.474 176.519 -0.041 0.000 1.294 378 W CA -0.588 56.743 57.345 -0.023 0.000 1.231 378 W CB 0.497 29.912 29.460 -0.075 0.000 1.143 378 W HN -0.125 nan 8.180 nan 0.000 0.571 379 L N 5.495 126.270 121.223 -0.747 0.000 2.431 379 L HA 0.374 4.714 4.340 -0.000 0.000 0.266 379 L C 0.513 176.679 176.870 -1.173 0.000 0.978 379 L CA -1.002 53.402 54.840 -0.727 0.000 0.822 379 L CB 2.113 43.960 42.059 -0.353 0.000 1.310 379 L HN 0.506 nan 8.230 nan 0.000 0.409 380 T N -1.301 112.667 114.554 -0.978 0.000 2.824 380 T HA 0.275 4.625 4.350 -0.000 0.000 0.277 380 T C 0.736 175.195 174.700 -0.402 0.000 0.975 380 T CA -0.666 60.947 62.100 -0.813 0.000 0.966 380 T CB 1.456 69.963 68.868 -0.602 0.000 1.054 380 T HN 0.462 nan 8.240 nan 0.000 0.533 381 L N 1.289 122.362 121.223 -0.250 0.000 2.109 381 L HA 0.351 4.691 4.340 -0.000 0.000 0.207 381 L C 1.238 178.027 176.870 -0.135 0.000 1.086 381 L CA 2.268 57.024 54.840 -0.140 0.000 0.760 381 L CB -1.497 40.525 42.059 -0.061 0.000 0.910 381 L HN 1.418 nan 8.230 nan 0.000 0.437 382 G N -1.152 107.557 108.800 -0.151 0.000 2.814 382 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.677 382 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.677 382 G C -0.112 174.732 174.900 -0.093 0.000 1.429 382 G CA -0.392 44.626 45.100 -0.138 0.000 0.868 382 G HN 0.987 nan 8.290 nan 0.000 0.553 383 A N 2.115 124.876 122.820 -0.098 0.000 2.404 383 A HA 0.668 4.988 4.320 -0.000 0.000 0.273 383 A C -0.840 176.696 177.584 -0.080 0.000 1.144 383 A CA -0.299 51.694 52.037 -0.072 0.000 0.806 383 A CB -0.008 18.944 19.000 -0.079 0.000 1.080 383 A HN 0.923 nan 8.150 nan 0.000 0.509 384 P HA 0.127 nan 4.420 nan 0.000 0.264 384 P C -0.234 177.003 177.300 -0.104 0.000 1.193 384 P CA 0.318 63.366 63.100 -0.086 0.000 0.763 384 P CB 0.808 32.454 31.700 -0.089 0.000 0.810 385 A N 3.717 126.480 122.820 -0.095 0.000 3.094 385 A HA 0.331 4.651 4.320 -0.000 0.000 0.288 385 A C 0.587 178.107 177.584 -0.106 0.000 1.519 385 A CA -0.333 51.645 52.037 -0.098 0.000 1.227 385 A CB -0.782 18.175 19.000 -0.072 0.000 1.175 385 A HN 0.477 nan 8.150 nan 0.000 0.568 386 T N 1.921 116.390 114.554 -0.142 0.000 2.919 386 T HA 0.203 4.553 4.350 -0.000 0.000 0.302 386 T C 0.552 175.147 174.700 -0.175 0.000 1.031 386 T CA -0.055 61.948 62.100 -0.161 0.000 1.127 386 T CB 0.176 68.915 68.868 -0.215 0.000 0.952 386 T HN 0.675 nan 8.240 nan 0.000 0.540 387 N N 0.250 118.860 118.700 -0.149 0.000 2.754 387 N HA -0.148 4.592 4.740 -0.000 0.000 0.248 387 N C -0.296 175.138 175.510 -0.128 0.000 1.093 387 N CA 1.275 54.230 53.050 -0.159 0.000 0.699 387 N CB -1.308 37.008 38.487 -0.284 0.000 1.016 387 N HN 0.786 nan 8.380 nan 0.000 0.552 388 T N -0.823 113.696 114.554 -0.057 0.000 2.853 388 T HA 0.357 4.707 4.350 -0.000 0.000 0.311 388 T C 0.612 175.314 174.700 0.004 0.000 1.307 388 T CA -0.398 61.699 62.100 -0.005 0.000 1.019 388 T CB 0.799 69.651 68.868 -0.028 0.000 1.264 388 T HN 0.207 nan 8.240 nan 0.000 0.497 389 N N 1.846 120.560 118.700 0.024 0.000 2.336 389 N HA 0.091 4.831 4.740 -0.000 0.000 0.189 389 N C -0.056 175.461 175.510 0.011 0.000 1.113 389 N CA 0.083 53.142 53.050 0.015 0.000 0.858 389 N CB 0.165 38.665 38.487 0.021 0.000 0.970 389 N HN 0.799 nan 8.380 nan 0.000 0.471 390 D N -0.342 120.067 120.400 0.015 0.000 2.744 390 D HA 0.232 4.872 4.640 -0.000 0.000 0.304 390 D C -0.643 175.672 176.300 0.025 0.000 1.179 390 D CA -0.668 53.347 54.000 0.025 0.000 1.024 390 D CB 0.889 41.715 40.800 0.043 0.000 1.453 390 D HN -0.201 nan 8.370 nan 0.000 0.529 391 I N 1.190 121.798 120.570 0.063 0.000 2.310 391 I HA 0.292 4.461 4.170 -0.000 0.000 0.287 391 I C -2.295 173.878 176.117 0.095 0.000 1.073 391 I CA -1.768 59.572 61.300 0.066 0.000 1.216 391 I CB -0.235 37.849 38.000 0.141 0.000 1.415 391 I HN 0.051 nan 8.210 nan 0.000 0.480 392 P HA 0.088 nan 4.420 nan 0.000 0.273 392 P C -0.403 176.794 177.300 -0.171 0.000 1.250 392 P CA -0.299 62.804 63.100 0.005 0.000 0.793 392 P CB 0.522 32.227 31.700 0.010 0.000 1.011 393 F N 1.577 121.432 119.950 -0.157 0.000 2.472 393 F HA 0.254 4.781 4.527 -0.000 0.000 0.364 393 F C 0.143 175.852 175.800 -0.152 0.000 1.090 393 F CA 0.009 57.885 58.000 -0.208 0.000 1.188 393 F CB 0.241 39.245 39.000 0.007 0.000 1.105 393 F HN 0.042 nan 8.300 nan 0.000 0.536 394 K N 7.533 127.610 120.400 -0.538 0.000 2.221 394 K HA 0.376 4.696 4.320 -0.000 0.000 0.258 394 K C -2.581 173.762 176.600 -0.427 0.000 0.944 394 K CA -1.980 54.133 56.287 -0.291 0.000 0.823 394 K CB 1.482 33.834 32.500 -0.247 0.000 1.113 394 K HN 0.358 nan 8.250 nan 0.000 0.431 395 P HA -0.038 nan 4.420 nan 0.000 0.256 395 P C -2.376 175.017 177.300 0.156 0.000 1.173 395 P CA -0.491 62.703 63.100 0.158 0.000 0.768 395 P CB -0.094 31.773 31.700 0.278 0.000 0.758 396 P HA 0.365 nan 4.420 nan 0.000 0.279 396 P C -0.997 176.588 177.300 0.474 0.000 1.252 396 P CA -0.180 63.005 63.100 0.142 0.000 0.811 396 P CB 0.819 32.656 31.700 0.227 0.000 1.035 397 F N -3.098 116.914 119.950 0.102 0.000 2.719 397 F HA 0.600 5.127 4.527 -0.000 0.000 0.309 397 F C -3.134 172.133 175.800 -0.888 0.000 1.138 397 F CA -3.115 54.531 58.000 -0.590 0.000 0.943 397 F CB -0.031 38.816 39.000 -0.256 0.000 1.304 397 F HN 0.056 nan 8.300 nan 0.000 0.445 398 P HA 0.171 nan 4.420 nan 0.000 0.270 398 P C 0.075 177.308 177.300 -0.113 0.000 1.221 398 P CA 0.712 63.448 63.100 -0.606 0.000 0.788 398 P CB 0.808 32.087 31.700 -0.701 0.000 0.904 399 A N 1.185 124.148 122.820 0.238 0.000 1.878 399 A HA -0.075 4.245 4.320 -0.000 0.000 0.213 399 A C 0.582 178.459 177.584 0.488 0.000 1.192 399 A CA 1.208 53.514 52.037 0.450 0.000 0.619 399 A CB -1.041 18.381 19.000 0.703 0.000 0.837 399 A HN 0.592 nan 8.150 nan 0.000 0.446 400 Y N 2.368 122.857 120.300 0.314 0.000 2.350 400 Y HA 0.455 5.005 4.550 -0.000 0.000 0.340 400 Y C -2.538 173.403 175.900 0.068 0.000 1.006 400 Y CA -2.872 55.319 58.100 0.152 0.000 1.166 400 Y CB 1.274 39.750 38.460 0.027 0.000 1.168 400 Y HN 0.159 nan 8.280 nan 0.000 0.502 401 P HA 0.126 nan 4.420 nan 0.000 0.283 401 P C -0.910 176.195 177.300 -0.326 0.000 1.278 401 P CA -0.670 62.117 63.100 -0.522 0.000 0.834 401 P CB 1.630 32.961 31.700 -0.615 0.000 1.150 402 S N -0.335 115.104 115.700 -0.436 0.000 2.516 402 S HA 0.199 4.669 4.470 -0.000 0.000 0.282 402 S C 1.824 176.201 174.600 -0.371 0.000 1.286 402 S CA 0.233 58.013 58.200 -0.699 0.000 1.066 402 S CB -0.805 61.882 63.200 -0.856 0.000 0.884 402 S HN 0.566 nan 8.310 nan 0.000 0.491 403 G N 4.183 112.867 108.800 -0.193 0.000 2.421 403 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.216 403 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.216 403 G C 1.604 176.343 174.900 -0.270 0.000 1.171 403 G CA 0.742 45.729 45.100 -0.187 0.000 0.775 403 G HN 1.002 nan 8.290 nan 0.000 0.543 404 A N 1.173 124.036 122.820 0.071 0.000 1.902 404 A HA 0.251 4.571 4.320 -0.000 0.000 0.217 404 A C 2.819 180.431 177.584 0.047 0.000 1.181 404 A CA 2.270 54.475 52.037 0.280 0.000 0.623 404 A CB -0.789 18.398 19.000 0.313 0.000 0.818 404 A HN 0.797 nan 8.150 nan 0.000 0.443 405 A N -0.796 121.937 122.820 -0.144 0.000 1.877 405 A HA -0.106 4.213 4.320 -0.000 0.000 0.216 405 A C 2.326 179.760 177.584 -0.251 0.000 1.186 405 A CA 2.391 54.286 52.037 -0.237 0.000 0.620 405 A CB -1.308 17.520 19.000 -0.288 0.000 0.822 405 A HN 0.452 nan 8.150 nan 0.000 0.443 406 T N -0.372 114.023 114.554 -0.266 0.000 2.737 406 T HA -0.093 4.257 4.350 -0.000 0.000 0.265 406 T C 1.572 176.159 174.700 -0.188 0.000 1.038 406 T CA 1.504 63.447 62.100 -0.261 0.000 1.144 406 T CB -0.447 68.243 68.868 -0.296 0.000 0.866 406 T HN 0.331 nan 8.240 nan 0.000 0.434 407 F N 1.894 121.769 119.950 -0.125 0.000 2.065 407 F HA -0.004 4.523 4.527 0.000 0.000 0.298 407 F C 2.763 178.259 175.800 -0.508 0.000 1.112 407 F CA 0.909 58.798 58.000 -0.184 0.000 1.212 407 F CB -1.438 37.603 39.000 0.069 0.000 0.975 407 F HN 0.245 nan 8.300 nan 0.000 0.476 408 G N -0.592 107.955 108.800 -0.422 0.000 2.418 408 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 408 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 408 G C 2.074 176.743 174.900 -0.385 0.000 1.158 408 G CA 0.911 45.619 45.100 -0.653 0.000 0.771 408 G HN 0.564 nan 8.290 nan 0.000 0.545 409 G N 1.160 109.789 108.800 -0.285 0.000 2.446 409 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.217 409 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.217 409 G C 2.063 176.849 174.900 -0.190 0.000 1.168 409 G CA 1.723 46.681 45.100 -0.237 0.000 0.771 409 G HN 0.668 nan 8.290 nan 0.000 0.551 410 A N -0.059 122.642 122.820 -0.198 0.000 1.855 410 A HA 0.108 4.428 4.320 -0.000 0.000 0.215 410 A C 2.637 180.096 177.584 -0.209 0.000 1.191 410 A CA 1.878 53.821 52.037 -0.157 0.000 0.613 410 A CB -0.759 18.179 19.000 -0.104 0.000 0.829 410 A HN 0.261 nan 8.150 nan 0.000 0.442 411 V N -0.936 118.753 119.914 -0.375 0.000 2.255 411 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 411 V C 2.366 178.177 176.094 -0.473 0.000 1.051 411 V CA 2.264 64.246 62.300 -0.530 0.000 1.018 411 V CB -1.009 30.266 31.823 -0.915 0.000 0.641 411 V HN 0.558 nan 8.190 nan 0.000 0.445 412 F N -0.096 119.742 119.950 -0.187 0.000 2.259 412 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 412 F C 2.455 178.224 175.800 -0.052 0.000 1.088 412 F CA 1.242 59.164 58.000 -0.130 0.000 1.358 412 F CB -0.888 38.006 39.000 -0.176 0.000 1.040 412 F HN 0.162 nan 8.300 nan 0.000 0.505 413 Q N 0.240 120.088 119.800 0.080 0.000 2.167 413 Q HA -0.182 4.157 4.340 -0.000 0.000 0.202 413 Q C 2.090 178.107 176.000 0.028 0.000 0.970 413 Q CA 1.479 57.336 55.803 0.090 0.000 0.855 413 Q CB -0.390 28.381 28.738 0.055 0.000 0.911 413 Q HN 0.317 nan 8.270 nan 0.000 0.438 414 M N -1.022 118.563 119.600 -0.024 0.000 2.086 414 M HA -0.085 4.395 4.480 -0.000 0.000 0.261 414 M C 1.792 178.085 176.300 -0.010 0.000 1.067 414 M CA 1.321 56.589 55.300 -0.053 0.000 1.116 414 M CB -0.532 32.030 32.600 -0.063 0.000 1.348 414 M HN 0.117 nan 8.290 nan 0.000 0.407 415 V N 0.216 120.166 119.914 0.061 0.000 2.287 415 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 415 V C 2.418 178.716 176.094 0.339 0.000 1.053 415 V CA 2.199 64.631 62.300 0.220 0.000 1.027 415 V CB -0.710 31.263 31.823 0.250 0.000 0.646 415 V HN 0.470 nan 8.190 nan 0.000 0.447 416 R N -0.543 120.107 120.500 0.250 0.000 2.070 416 R HA -0.118 4.222 4.340 -0.000 0.000 0.233 416 R C 2.585 179.099 176.300 0.358 0.000 1.137 416 R CA 1.353 57.673 56.100 0.367 0.000 0.945 416 R CB -0.381 30.069 30.300 0.251 0.000 0.845 416 R HN 0.348 nan 8.270 nan 0.000 0.430 417 R N -0.208 120.291 120.500 -0.002 0.000 2.091 417 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 417 R C 2.102 178.110 176.300 -0.485 0.000 1.136 417 R CA 1.471 57.311 56.100 -0.433 0.000 0.959 417 R CB -0.836 28.831 30.300 -1.056 0.000 0.856 417 R HN 0.373 nan 8.270 nan 0.000 0.437 418 Y N -0.121 119.936 120.300 -0.406 0.000 2.242 418 Y HA -0.202 4.348 4.550 -0.000 0.000 0.291 418 Y C 1.376 177.146 175.900 -0.216 0.000 1.137 418 Y CA 1.445 59.416 58.100 -0.214 0.000 1.181 418 Y CB -0.094 38.241 38.460 -0.209 0.000 0.989 418 Y HN -0.017 nan 8.280 nan 0.000 0.527 419 Y N -0.464 119.933 120.300 0.163 0.000 2.466 419 Y HA 0.098 4.648 4.550 -0.000 0.000 0.272 419 Y C 0.742 176.610 175.900 -0.053 0.000 1.169 419 Y CA -0.278 57.888 58.100 0.110 0.000 1.285 419 Y CB -0.421 38.171 38.460 0.220 0.000 1.078 419 Y HN -0.031 nan 8.280 nan 0.000 0.523 420 N N 0.692 119.302 118.700 -0.150 0.000 2.454 420 N HA 0.137 4.877 4.740 -0.000 0.000 0.260 420 N C 1.220 176.422 175.510 -0.513 0.000 1.218 420 N CA 1.598 54.148 53.050 -0.833 0.000 0.904 420 N CB 0.831 38.842 38.487 -0.794 0.000 1.065 420 N HN 0.549 nan 8.380 nan 0.000 0.462 421 G N 3.121 111.592 108.800 -0.548 0.000 2.299 421 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.237 421 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.237 421 G C 1.150 175.960 174.900 -0.149 0.000 1.027 421 G CA 0.658 45.589 45.100 -0.282 0.000 0.619 421 G HN 0.644 nan 8.290 nan 0.000 0.513 422 R N 0.164 120.602 120.500 -0.103 0.000 2.062 422 R HA 0.374 4.714 4.340 -0.000 0.000 0.218 422 R C 2.525 178.868 176.300 0.072 0.000 1.161 422 R CA 1.466 57.579 56.100 0.021 0.000 0.994 422 R CB -0.146 30.206 30.300 0.087 0.000 0.888 422 R HN 0.328 nan 8.270 nan 0.000 0.442 423 V N -0.051 119.921 119.914 0.097 0.000 2.788 423 V HA 0.241 4.361 4.120 -0.000 0.000 0.251 423 V C 1.046 177.226 176.094 0.143 0.000 1.068 423 V CA 1.212 63.547 62.300 0.058 0.000 1.090 423 V CB 0.529 32.271 31.823 -0.136 0.000 0.710 423 V HN 0.663 nan 8.190 nan 0.000 0.467 424 G N -1.164 107.719 108.800 0.139 0.000 2.348 424 G HA2 0.443 4.403 3.960 -0.000 0.000 0.296 424 G HA3 0.443 4.403 3.960 -0.000 0.000 0.296 424 G C -1.287 173.519 174.900 -0.157 0.000 1.258 424 G CA -0.032 45.145 45.100 0.130 0.000 0.868 424 G HN -0.071 nan 8.290 nan 0.000 0.488 425 T N 0.778 115.286 114.554 -0.075 0.000 2.879 425 T HA 0.672 5.022 4.350 -0.000 0.000 0.290 425 T C -1.325 173.341 174.700 -0.057 0.000 0.993 425 T CA -0.153 61.769 62.100 -0.297 0.000 0.975 425 T CB 1.131 69.895 68.868 -0.173 0.000 0.981 425 T HN 0.997 nan 8.240 nan 0.000 0.439 426 W N 0.791 122.049 121.300 -0.070 0.000 3.137 426 W HA 0.813 5.473 4.660 -0.000 0.000 0.324 426 W C -1.253 175.204 176.519 -0.103 0.000 1.253 426 W CA -1.361 55.923 57.345 -0.101 0.000 1.183 426 W CB 0.518 29.897 29.460 -0.135 0.000 1.424 426 W HN 0.237 nan 8.180 nan 0.000 0.566 427 K N 1.582 122.052 120.400 0.117 0.000 2.295 427 K HA 0.101 4.420 4.320 -0.000 0.000 0.270 427 K C 0.807 177.480 176.600 0.121 0.000 1.011 427 K CA 0.061 56.372 56.287 0.040 0.000 0.953 427 K CB 0.412 32.911 32.500 -0.001 0.000 0.956 427 K HN 0.441 nan 8.250 nan 0.000 0.477 428 D N 1.179 121.622 120.400 0.072 0.000 2.354 428 D HA -0.145 4.495 4.640 -0.000 0.000 0.216 428 D C 0.264 176.612 176.300 0.081 0.000 0.970 428 D CA 1.129 55.193 54.000 0.108 0.000 0.905 428 D CB 0.093 40.932 40.800 0.065 0.000 0.903 428 D HN 0.598 nan 8.370 nan 0.000 0.508 429 D N -0.632 119.769 120.400 0.003 0.000 2.535 429 D HA 0.066 4.706 4.640 -0.000 0.000 0.229 429 D C 0.090 176.193 176.300 -0.330 0.000 1.238 429 D CA -0.161 53.820 54.000 -0.033 0.000 0.824 429 D CB 0.193 41.035 40.800 0.070 0.000 1.045 429 D HN 0.060 nan 8.370 nan 0.000 0.500 430 E N 1.119 121.034 120.200 -0.476 0.000 2.336 430 E HA 0.388 4.738 4.350 -0.000 0.000 0.267 430 E C -2.640 173.350 176.600 -1.017 0.000 0.906 430 E CA -2.380 53.619 56.400 -0.667 0.000 0.781 430 E CB 2.308 31.837 29.700 -0.285 0.000 1.261 430 E HN -0.049 nan 8.360 nan 0.000 0.436 431 P HA -0.093 nan 4.420 nan 0.000 0.265 431 P C -0.914 176.005 177.300 -0.635 0.000 1.187 431 P CA 0.421 62.961 63.100 -0.935 0.000 0.766 431 P CB 0.642 32.020 31.700 -0.537 0.000 0.820 432 D N 2.236 122.171 120.400 -0.776 0.000 2.539 432 D HA 0.096 4.736 4.640 -0.000 0.000 0.276 432 D C 0.368 176.309 176.300 -0.597 0.000 1.206 432 D CA -0.471 52.806 54.000 -1.204 0.000 1.081 432 D CB 0.598 40.186 40.800 -2.020 0.000 1.142 432 D HN 0.362 nan 8.370 nan 0.000 0.595 433 N N -0.455 117.916 118.700 -0.549 0.000 2.365 433 N HA 0.103 4.843 4.740 -0.000 0.000 0.257 433 N C -0.393 175.010 175.510 -0.177 0.000 1.287 433 N CA -0.367 52.567 53.050 -0.194 0.000 0.882 433 N CB 0.001 38.482 38.487 -0.010 0.000 1.250 433 N HN 0.367 nan 8.380 nan 0.000 0.507 434 I N 1.686 122.065 120.570 -0.318 0.000 2.349 434 I HA 0.213 4.382 4.170 -0.000 0.000 0.302 434 I C 0.569 176.648 176.117 -0.064 0.000 1.180 434 I CA -0.342 60.790 61.300 -0.279 0.000 1.405 434 I CB 0.055 37.854 38.000 -0.335 0.000 1.474 434 I HN 0.146 nan 8.210 nan 0.000 0.632 435 A N 8.135 131.009 122.820 0.091 0.000 2.293 435 A HA 0.907 5.227 4.320 -0.000 0.000 0.302 435 A C -0.238 177.421 177.584 0.126 0.000 1.119 435 A CA -0.459 51.628 52.037 0.084 0.000 0.823 435 A CB 0.881 19.960 19.000 0.131 0.000 1.097 435 A HN 0.738 nan 8.150 nan 0.000 0.491 436 I N -1.378 119.175 120.570 -0.027 0.000 3.006 436 I HA 0.846 5.016 4.170 -0.000 0.000 0.306 436 I C -1.613 174.487 176.117 -0.029 0.000 1.250 436 I CA -1.082 60.234 61.300 0.027 0.000 0.996 436 I CB 2.770 40.819 38.000 0.081 0.000 1.261 436 I HN 0.660 nan 8.210 nan 0.000 0.442 437 D N 2.777 123.245 120.400 0.113 0.000 2.610 437 D HA 0.580 5.220 4.640 -0.000 0.000 0.271 437 D C -0.163 176.227 176.300 0.149 0.000 1.174 437 D CA -0.945 53.168 54.000 0.188 0.000 0.949 437 D CB 1.403 42.405 40.800 0.337 0.000 1.430 437 D HN 0.813 nan 8.370 nan 0.000 0.467 438 M N -1.765 117.919 119.600 0.141 0.000 2.576 438 M HA -0.219 4.261 4.480 -0.000 0.000 0.200 438 M C -0.687 175.696 176.300 0.138 0.000 0.487 438 M CA 0.285 55.654 55.300 0.115 0.000 0.553 438 M CB -1.172 31.478 32.600 0.083 0.000 2.042 438 M HN 0.527 nan 8.290 nan 0.000 0.758 439 M N 1.316 121.035 119.600 0.198 0.000 2.084 439 M HA 0.558 5.038 4.480 -0.000 0.000 0.351 439 M C -0.688 175.805 176.300 0.322 0.000 1.240 439 M CA 0.026 55.483 55.300 0.262 0.000 1.083 439 M CB 0.455 33.275 32.600 0.367 0.000 1.593 439 M HN 0.237 nan 8.290 nan 0.000 0.463 440 I N 2.692 123.400 120.570 0.229 0.000 2.474 440 I HA 0.377 4.547 4.170 -0.000 0.000 0.294 440 I C -0.189 175.951 176.117 0.038 0.000 1.005 440 I CA -0.750 60.651 61.300 0.169 0.000 1.113 440 I CB 2.100 40.153 38.000 0.088 0.000 1.289 440 I HN 0.617 nan 8.210 nan 0.000 0.436 441 S N 3.747 119.304 115.700 -0.239 0.000 2.525 441 S HA 0.225 4.695 4.470 -0.000 0.000 0.278 441 S C 0.828 175.214 174.600 -0.357 0.000 1.234 441 S CA -0.449 57.362 58.200 -0.648 0.000 1.058 441 S CB 1.006 63.381 63.200 -1.376 0.000 0.983 441 S HN 0.676 nan 8.310 nan 0.000 0.495 442 E N 2.105 122.113 120.200 -0.320 0.000 2.472 442 E HA -0.072 4.278 4.350 -0.000 0.000 0.200 442 E C 1.105 177.480 176.600 -0.375 0.000 1.046 442 E CA 0.486 56.702 56.400 -0.307 0.000 0.871 442 E CB 0.183 29.688 29.700 -0.325 0.000 0.806 442 E HN 0.622 nan 8.360 nan 0.000 0.533 443 E N -0.173 119.769 120.200 -0.430 0.000 2.299 443 E HA -0.007 4.343 4.350 -0.000 0.000 0.193 443 E C 0.540 177.021 176.600 -0.199 0.000 0.998 443 E CA 0.638 56.837 56.400 -0.336 0.000 0.851 443 E CB 0.462 29.971 29.700 -0.318 0.000 0.795 443 E HN 0.239 nan 8.360 nan 0.000 0.492 444 L N 2.343 123.466 121.223 -0.166 0.000 2.551 444 L HA 0.203 4.543 4.340 -0.000 0.000 0.248 444 L C 0.167 177.012 176.870 -0.042 0.000 1.509 444 L CA -0.339 54.461 54.840 -0.066 0.000 0.842 444 L CB 0.499 42.566 42.059 0.013 0.000 1.087 444 L HN -0.069 nan 8.230 nan 0.000 0.512 445 N N -0.263 118.398 118.700 -0.065 0.000 2.177 445 N HA 0.117 4.857 4.740 -0.000 0.000 0.218 445 N C 1.034 176.526 175.510 -0.029 0.000 1.182 445 N CA 0.312 53.337 53.050 -0.042 0.000 0.882 445 N CB 1.048 39.496 38.487 -0.066 0.000 1.052 445 N HN 0.354 nan 8.380 nan 0.000 0.519 446 G N -0.404 108.379 108.800 -0.028 0.000 2.155 446 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 446 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 446 G C 0.405 175.289 174.900 -0.027 0.000 0.983 446 G CA 0.736 45.824 45.100 -0.020 0.000 0.676 446 G HN 0.319 nan 8.290 nan 0.000 0.528 447 V N -0.766 119.124 119.914 -0.040 0.000 3.102 447 V HA 0.221 4.341 4.120 -0.000 0.000 0.225 447 V C 1.327 177.391 176.094 -0.050 0.000 1.301 447 V CA 0.584 62.860 62.300 -0.040 0.000 1.308 447 V CB -0.115 31.683 31.823 -0.041 0.000 1.129 447 V HN 0.310 nan 8.190 nan 0.000 0.502 448 N N 2.543 121.197 118.700 -0.077 0.000 2.444 448 N HA 0.347 5.087 4.740 -0.000 0.000 0.255 448 N C -0.011 175.451 175.510 -0.081 0.000 1.255 448 N CA 0.175 53.167 53.050 -0.096 0.000 0.933 448 N CB 0.535 38.931 38.487 -0.152 0.000 1.143 448 N HN 0.483 nan 8.380 nan 0.000 0.453 449 R N -0.493 119.960 120.500 -0.078 0.000 2.829 449 R HA 0.384 4.724 4.340 -0.000 0.000 0.267 449 R C -1.815 174.449 176.300 -0.060 0.000 1.051 449 R CA -0.677 55.387 56.100 -0.060 0.000 0.927 449 R CB 0.713 30.991 30.300 -0.036 0.000 1.292 449 R HN 0.286 nan 8.270 nan 0.000 0.445 450 D N 1.801 122.174 120.400 -0.044 0.000 2.427 450 D HA 0.358 4.998 4.640 -0.000 0.000 0.226 450 D C 0.044 176.332 176.300 -0.019 0.000 1.076 450 D CA -0.388 53.589 54.000 -0.038 0.000 0.849 450 D CB 1.585 42.362 40.800 -0.038 0.000 1.052 450 D HN 0.232 nan 8.370 nan 0.000 0.515 451 L N 2.125 123.344 121.223 -0.008 0.000 2.452 451 L HA 0.189 4.529 4.340 -0.000 0.000 0.267 451 L C 2.021 178.894 176.870 0.005 0.000 1.188 451 L CA -0.533 54.313 54.840 0.009 0.000 0.821 451 L CB 0.999 43.080 42.059 0.036 0.000 1.102 451 L HN 0.159 nan 8.230 nan 0.000 0.470 452 R N 0.726 121.230 120.500 0.005 0.000 2.173 452 R HA 0.043 4.383 4.340 -0.000 0.000 0.208 452 R C 0.245 176.548 176.300 0.005 0.000 1.035 452 R CA 0.466 56.568 56.100 0.002 0.000 1.004 452 R CB 0.044 30.343 30.300 -0.002 0.000 0.917 452 R HN 0.674 nan 8.270 nan 0.000 0.462 453 Q N 0.355 120.161 119.800 0.010 0.000 2.528 453 Q HA 0.520 4.859 4.340 -0.000 0.000 0.289 453 Q C -2.964 173.051 176.000 0.025 0.000 1.091 453 Q CA -2.802 53.008 55.803 0.010 0.000 0.797 453 Q CB 0.886 29.625 28.738 0.000 0.000 1.466 453 Q HN -0.247 nan 8.270 nan 0.000 0.436 454 P HA -0.014 nan 4.420 nan 0.000 0.267 454 P C -0.906 176.433 177.300 0.064 0.000 1.200 454 P CA 0.020 63.149 63.100 0.048 0.000 0.772 454 P CB -0.019 31.699 31.700 0.029 0.000 0.855 455 Y N 2.718 123.007 120.300 -0.019 0.000 2.721 455 Y HA 0.006 4.556 4.550 -0.000 0.000 0.329 455 Y C 0.320 176.208 175.900 -0.021 0.000 1.211 455 Y CA 0.031 58.117 58.100 -0.023 0.000 1.512 455 Y CB -0.168 38.275 38.460 -0.028 0.000 1.249 455 Y HN 0.270 nan 8.280 nan 0.000 0.549 456 D N 9.144 129.141 120.400 -0.673 0.000 2.396 456 D HA 0.232 4.871 4.640 -0.000 0.000 0.225 456 D C -1.961 173.725 176.300 -1.024 0.000 1.121 456 D CA -2.611 51.025 54.000 -0.608 0.000 0.853 456 D CB 1.327 41.943 40.800 -0.305 0.000 1.043 456 D HN 0.403 nan 8.370 nan 0.000 0.500 457 P HA -0.079 nan 4.420 nan 0.000 0.234 457 P C 0.823 177.990 177.300 -0.222 0.000 1.167 457 P CA 0.768 63.567 63.100 -0.502 0.000 0.763 457 P CB 0.070 31.680 31.700 -0.150 0.000 0.835 458 T N -4.261 110.162 114.554 -0.219 0.000 3.060 458 T HA 0.477 4.827 4.350 -0.000 0.000 0.249 458 T C 0.790 175.431 174.700 -0.097 0.000 1.079 458 T CA -0.177 61.853 62.100 -0.117 0.000 1.013 458 T CB 0.002 68.814 68.868 -0.093 0.000 0.975 458 T HN 0.050 nan 8.240 nan 0.000 0.518 459 A N 2.598 125.339 122.820 -0.132 0.000 2.374 459 A HA 0.792 5.112 4.320 -0.000 0.000 0.317 459 A C -2.860 174.702 177.584 -0.036 0.000 1.094 459 A CA -2.302 49.688 52.037 -0.078 0.000 0.765 459 A CB 1.260 20.209 19.000 -0.085 0.000 1.268 459 A HN 0.179 nan 8.150 nan 0.000 0.438 460 P HA 0.072 nan 4.420 nan 0.000 0.271 460 P C 0.792 178.115 177.300 0.039 0.000 1.218 460 P CA -0.206 62.908 63.100 0.024 0.000 0.780 460 P CB 0.747 32.453 31.700 0.009 0.000 0.901 461 I N 2.554 123.165 120.570 0.069 0.000 2.315 461 I HA -0.283 3.887 4.170 -0.000 0.000 0.251 461 I C 1.674 177.808 176.117 0.030 0.000 1.125 461 I CA 1.841 63.184 61.300 0.072 0.000 1.392 461 I CB -0.772 37.256 38.000 0.046 0.000 1.065 461 I HN 0.323 nan 8.210 nan 0.000 0.424 462 E N -0.100 120.108 120.200 0.012 0.000 2.338 462 E HA -0.144 4.206 4.350 -0.000 0.000 0.197 462 E C 1.363 177.963 176.600 0.000 0.000 1.007 462 E CA 1.015 57.416 56.400 0.002 0.000 0.849 462 E CB -0.314 29.384 29.700 -0.003 0.000 0.774 462 E HN 0.482 nan 8.360 nan 0.000 0.506 463 D N 0.352 120.753 120.400 0.001 0.000 2.339 463 D HA 0.013 4.653 4.640 -0.000 0.000 0.217 463 D C -0.172 176.124 176.300 -0.008 0.000 1.050 463 D CA 0.274 54.270 54.000 -0.007 0.000 0.856 463 D CB 0.160 40.952 40.800 -0.013 0.000 0.922 463 D HN 0.254 nan 8.370 nan 0.000 0.518 464 Q N 1.137 120.938 119.800 0.002 0.000 2.290 464 Q HA 0.374 4.714 4.340 -0.000 0.000 0.259 464 Q C -2.488 173.515 176.000 0.006 0.000 0.941 464 Q CA -1.997 53.808 55.803 0.004 0.000 0.912 464 Q CB 1.697 30.449 28.738 0.025 0.000 1.244 464 Q HN -0.109 nan 8.270 nan 0.000 0.441 465 P HA 0.139 nan 4.420 nan 0.000 0.265 465 P C -0.366 176.935 177.300 0.001 0.000 1.193 465 P CA 0.287 63.386 63.100 -0.002 0.000 0.765 465 P CB 0.699 32.397 31.700 -0.005 0.000 0.823 466 G N 1.923 110.721 108.800 -0.003 0.000 2.328 466 G HA2 0.310 4.270 3.960 -0.000 0.000 0.295 466 G HA3 0.310 4.270 3.960 -0.000 0.000 0.295 466 G C -1.585 173.308 174.900 -0.011 0.000 1.413 466 G CA -0.791 44.306 45.100 -0.006 0.000 0.817 466 G HN 0.364 nan 8.290 nan 0.000 0.546 467 I N 1.296 121.857 120.570 -0.015 0.000 2.337 467 I HA 0.248 4.418 4.170 -0.000 0.000 0.291 467 I C 0.548 176.652 176.117 -0.023 0.000 1.046 467 I CA -0.679 60.611 61.300 -0.017 0.000 1.324 467 I CB 1.274 39.263 38.000 -0.018 0.000 1.409 467 I HN 0.143 nan 8.210 nan 0.000 0.494 468 V N 7.285 127.187 119.914 -0.020 0.000 2.637 468 V HA 0.123 4.243 4.120 -0.000 0.000 0.296 468 V C 0.835 176.913 176.094 -0.027 0.000 1.046 468 V CA -0.591 61.694 62.300 -0.025 0.000 1.066 468 V CB 0.312 32.124 31.823 -0.019 0.000 0.968 468 V HN 0.606 nan 8.190 nan 0.000 0.483 469 R N 2.788 123.265 120.500 -0.038 0.000 2.401 469 R HA 0.209 4.549 4.340 -0.000 0.000 0.299 469 R C 0.308 176.595 176.300 -0.023 0.000 1.064 469 R CA -0.131 55.946 56.100 -0.039 0.000 1.000 469 R CB 0.327 30.588 30.300 -0.064 0.000 0.973 469 R HN 0.732 nan 8.270 nan 0.000 0.438 470 T N 3.494 118.043 114.554 -0.007 0.000 2.933 470 T HA -0.044 4.306 4.350 -0.000 0.000 0.306 470 T C 0.830 175.542 174.700 0.019 0.000 1.045 470 T CA 0.274 62.381 62.100 0.011 0.000 1.143 470 T CB 0.393 69.278 68.868 0.027 0.000 1.003 470 T HN 0.285 nan 8.240 nan 0.000 0.540 471 R N 3.278 123.792 120.500 0.024 0.000 2.248 471 R HA 0.378 4.717 4.340 -0.000 0.000 0.328 471 R C -0.745 175.594 176.300 0.065 0.000 1.067 471 R CA -0.217 55.903 56.100 0.033 0.000 0.924 471 R CB 0.008 30.322 30.300 0.022 0.000 1.013 471 R HN 0.597 nan 8.270 nan 0.000 0.454 472 I N 5.476 126.104 120.570 0.098 0.000 2.410 472 I HA 0.215 4.385 4.170 -0.000 0.000 0.286 472 I C -0.622 175.596 176.117 0.168 0.000 1.009 472 I CA -1.085 60.301 61.300 0.142 0.000 1.111 472 I CB 2.077 40.184 38.000 0.179 0.000 1.262 472 I HN 0.301 nan 8.210 nan 0.000 0.443 473 V N 6.855 126.847 119.914 0.128 0.000 2.364 473 V HA 0.440 4.560 4.120 -0.000 0.000 0.272 473 V C 0.341 176.497 176.094 0.104 0.000 1.036 473 V CA -0.638 61.738 62.300 0.125 0.000 0.880 473 V CB 0.885 32.758 31.823 0.083 0.000 0.991 473 V HN 0.609 nan 8.190 nan 0.000 0.460 474 R N 2.697 123.264 120.500 0.112 0.000 2.720 474 R HA 0.561 4.901 4.340 -0.000 0.000 0.272 474 R C -0.614 175.650 176.300 -0.060 0.000 0.991 474 R CA -0.695 55.367 56.100 -0.064 0.000 1.010 474 R CB 1.820 31.945 30.300 -0.292 0.000 1.141 474 R HN 0.854 nan 8.270 nan 0.000 0.494 475 H N 1.262 120.123 119.070 -0.349 0.000 2.679 475 H HA 0.443 4.999 4.556 -0.000 0.000 0.360 475 H C -1.391 173.663 175.328 -0.458 0.000 1.105 475 H CA -0.524 55.396 56.048 -0.213 0.000 1.196 475 H CB 1.143 30.844 29.762 -0.102 0.000 1.636 475 H HN 0.322 nan 8.280 nan 0.000 0.531 476 F N 2.505 122.099 119.950 -0.594 0.000 2.540 476 F HA 0.189 4.716 4.527 -0.000 0.000 0.317 476 F C 1.084 176.617 175.800 -0.444 0.000 1.104 476 F CA -0.730 57.077 58.000 -0.321 0.000 0.913 476 F CB 1.871 40.785 39.000 -0.143 0.000 1.170 476 F HN 0.512 nan 8.300 nan 0.000 0.450 477 D N 0.383 120.811 120.400 0.047 0.000 2.289 477 D HA 0.022 4.662 4.640 -0.000 0.000 0.207 477 D C 0.397 176.715 176.300 0.030 0.000 0.966 477 D CA 0.987 55.035 54.000 0.081 0.000 0.868 477 D CB 0.373 41.255 40.800 0.137 0.000 0.943 477 D HN 0.444 nan 8.370 nan 0.000 0.514 478 S N -1.901 113.815 115.700 0.026 0.000 2.615 478 S HA 0.568 5.038 4.470 -0.000 0.000 0.268 478 S C 0.484 175.020 174.600 -0.107 0.000 1.146 478 S CA -0.272 57.889 58.200 -0.065 0.000 0.818 478 S CB 1.473 64.630 63.200 -0.073 0.000 1.111 478 S HN -0.086 nan 8.310 nan 0.000 0.465 479 A N 0.448 123.164 122.820 -0.173 0.000 2.066 479 A HA 0.106 4.425 4.320 -0.000 0.000 0.218 479 A C 1.611 179.110 177.584 -0.142 0.000 1.157 479 A CA 0.851 52.741 52.037 -0.246 0.000 0.670 479 A CB -0.954 17.983 19.000 -0.105 0.000 0.804 479 A HN 0.885 nan 8.150 nan 0.000 0.453 480 W N 0.659 121.818 121.300 -0.235 0.000 2.388 480 W HA -0.159 4.501 4.660 -0.000 0.000 0.294 480 W C 1.956 178.429 176.519 -0.077 0.000 1.212 480 W CA 1.757 59.021 57.345 -0.134 0.000 1.271 480 W CB 0.034 29.406 29.460 -0.147 0.000 1.126 480 W HN 0.616 nan 8.180 nan 0.000 0.535 481 E N 0.438 120.677 120.200 0.065 0.000 2.047 481 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 481 E C 2.390 178.956 176.600 -0.057 0.000 0.987 481 E CA 1.311 57.766 56.400 0.092 0.000 0.799 481 E CB -0.536 29.297 29.700 0.222 0.000 0.752 481 E HN 0.232 nan 8.360 nan 0.000 0.449 482 L N 0.578 121.598 121.223 -0.339 0.000 2.013 482 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 482 L C 2.897 179.312 176.870 -0.759 0.000 1.073 482 L CA 1.637 56.050 54.840 -0.711 0.000 0.753 482 L CB -0.471 40.825 42.059 -1.271 0.000 0.890 482 L HN 0.349 nan 8.230 nan 0.000 0.432 483 M N -0.971 118.278 119.600 -0.584 0.000 2.108 483 M HA -0.280 4.200 4.480 -0.000 0.000 0.261 483 M C 2.319 178.398 176.300 -0.367 0.000 1.066 483 M CA 1.995 57.088 55.300 -0.346 0.000 1.107 483 M CB -0.154 32.296 32.600 -0.250 0.000 1.356 483 M HN 0.223 nan 8.290 nan 0.000 0.406 484 F N 0.890 120.575 119.950 -0.441 0.000 2.084 484 F HA -0.186 4.341 4.527 -0.000 0.000 0.296 484 F C 2.266 177.837 175.800 -0.381 0.000 1.111 484 F CA 2.251 60.041 58.000 -0.350 0.000 1.224 484 F CB -0.689 38.145 39.000 -0.277 0.000 0.991 484 F HN 0.244 nan 8.300 nan 0.000 0.471 485 E N -0.028 119.848 120.200 -0.541 0.000 2.110 485 E HA -0.301 4.049 4.350 -0.000 0.000 0.193 485 E C 2.036 178.074 176.600 -0.938 0.000 0.988 485 E CA 1.348 57.376 56.400 -0.620 0.000 0.804 485 E CB -0.384 29.311 29.700 -0.009 0.000 0.745 485 E HN 0.480 nan 8.360 nan 0.000 0.458 486 N N 0.186 118.055 118.700 -1.385 0.000 2.149 486 N HA -0.179 4.561 4.740 -0.000 0.000 0.188 486 N C 1.523 176.640 175.510 -0.655 0.000 1.019 486 N CA 1.769 53.940 53.050 -1.465 0.000 0.857 486 N CB -0.191 37.545 38.487 -1.253 0.000 0.997 486 N HN 0.221 nan 8.380 nan 0.000 0.426 487 A N 0.753 123.220 122.820 -0.589 0.000 1.872 487 A HA 0.007 4.327 4.320 -0.000 0.000 0.214 487 A C 2.253 179.560 177.584 -0.461 0.000 1.187 487 A CA 1.343 53.120 52.037 -0.433 0.000 0.614 487 A CB -0.903 17.866 19.000 -0.384 0.000 0.826 487 A HN 0.559 nan 8.150 nan 0.000 0.442 488 I N -1.181 118.975 120.570 -0.689 0.000 2.928 488 I HA -0.093 4.077 4.170 -0.000 0.000 0.266 488 I C 2.143 177.738 176.117 -0.869 0.000 1.234 488 I CA 1.537 62.344 61.300 -0.821 0.000 1.483 488 I CB -0.429 36.807 38.000 -1.273 0.000 1.097 488 I HN 0.281 nan 8.210 nan 0.000 0.455 489 S N 1.715 117.093 115.700 -0.537 0.000 2.400 489 S HA -0.194 4.276 4.470 -0.000 0.000 0.232 489 S C 2.080 176.608 174.600 -0.121 0.000 1.025 489 S CA 1.026 59.121 58.200 -0.175 0.000 0.993 489 S CB -0.517 62.761 63.200 0.130 0.000 0.808 489 S HN 0.425 nan 8.310 nan 0.000 0.478 490 R N 1.151 121.567 120.500 -0.140 0.000 2.152 490 R HA 0.271 4.611 4.340 -0.000 0.000 0.232 490 R C 2.078 178.342 176.300 -0.059 0.000 1.117 490 R CA 1.251 57.342 56.100 -0.016 0.000 0.981 490 R CB -0.871 29.477 30.300 0.080 0.000 0.870 490 R HN 0.588 nan 8.270 nan 0.000 0.451 491 I N -0.685 119.757 120.570 -0.213 0.000 2.286 491 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 491 I C 1.236 177.344 176.117 -0.014 0.000 1.104 491 I CA 0.852 62.057 61.300 -0.157 0.000 1.397 491 I CB -0.207 37.652 38.000 -0.236 0.000 1.072 491 I HN 0.018 nan 8.210 nan 0.000 0.417 492 F N 0.927 120.895 119.950 0.030 0.000 2.171 492 F HA -0.147 4.380 4.527 0.000 0.000 0.300 492 F C 2.249 178.054 175.800 0.009 0.000 1.090 492 F CA 1.097 59.115 58.000 0.029 0.000 1.293 492 F CB -1.150 37.850 39.000 0.001 0.000 1.013 492 F HN -0.006 nan 8.300 nan 0.000 0.486 493 L N -0.793 120.522 121.223 0.153 0.000 2.376 493 L HA 0.102 4.442 4.340 -0.000 0.000 0.219 493 L C 1.913 178.773 176.870 -0.016 0.000 1.133 493 L CA 0.882 55.754 54.840 0.053 0.000 0.816 493 L CB -0.984 41.093 42.059 0.030 0.000 0.933 493 L HN 0.401 nan 8.230 nan 0.000 0.449 494 G N 0.071 108.874 108.800 0.006 0.000 2.143 494 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 494 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 494 G C 0.783 175.603 174.900 -0.133 0.000 0.991 494 G CA 0.493 45.587 45.100 -0.011 0.000 0.689 494 G HN 0.313 nan 8.290 nan 0.000 0.522 495 V N -4.228 115.582 119.914 -0.173 0.000 3.471 495 V HA 0.440 4.560 4.120 -0.000 0.000 0.258 495 V C 0.838 176.626 176.094 -0.512 0.000 1.192 495 V CA 0.863 62.966 62.300 -0.328 0.000 1.116 495 V CB -0.026 31.607 31.823 -0.317 0.000 0.792 495 V HN 0.420 nan 8.190 nan 0.000 0.459 496 H N -1.511 117.457 119.070 -0.170 0.000 2.821 496 H HA 0.423 4.979 4.556 -0.000 0.000 0.373 496 H C -1.410 173.787 175.328 -0.218 0.000 1.165 496 H CA -1.214 54.745 56.048 -0.149 0.000 1.154 496 H CB 1.394 31.121 29.762 -0.058 0.000 1.765 496 H HN 0.360 nan 8.280 nan 0.000 0.549 497 W N 2.416 123.682 121.300 -0.057 0.000 2.129 497 W HA 0.192 4.852 4.660 0.000 0.000 0.349 497 W C 2.011 178.283 176.519 -0.411 0.000 1.279 497 W CA -0.621 56.491 57.345 -0.388 0.000 1.306 497 W CB 0.964 29.824 29.460 -1.000 0.000 1.140 497 W HN 0.659 nan 8.180 nan 0.000 0.613 498 R N 0.583 121.006 120.500 -0.129 0.000 2.105 498 R HA -0.228 4.112 4.340 -0.000 0.000 0.239 498 R C 1.469 177.763 176.300 -0.009 0.000 1.135 498 R CA 2.028 58.097 56.100 -0.051 0.000 0.967 498 R CB -1.242 29.063 30.300 0.009 0.000 0.861 498 R HN 0.614 nan 8.270 nan 0.000 0.442 499 F N 0.721 120.766 119.950 0.158 0.000 2.699 499 F HA 0.216 4.743 4.527 0.000 0.000 0.298 499 F C 0.899 176.823 175.800 0.207 0.000 1.154 499 F CA -0.085 57.984 58.000 0.115 0.000 1.457 499 F CB -0.284 38.713 39.000 -0.005 0.000 1.106 499 F HN -0.163 nan 8.300 nan 0.000 0.585 500 D N 1.278 121.798 120.400 0.199 0.000 2.224 500 D HA -0.010 4.630 4.640 -0.000 0.000 0.205 500 D C 2.301 178.563 176.300 -0.062 0.000 0.965 500 D CA 1.344 55.446 54.000 0.169 0.000 0.852 500 D CB -0.186 40.679 40.800 0.109 0.000 0.947 500 D HN 0.403 nan 8.370 nan 0.000 0.494 501 A N 0.181 122.966 122.820 -0.058 0.000 1.861 501 A HA 0.509 4.829 4.320 -0.000 0.000 0.212 501 A C 1.115 178.648 177.584 -0.084 0.000 1.199 501 A CA 1.423 53.383 52.037 -0.127 0.000 0.613 501 A CB 0.065 18.986 19.000 -0.131 0.000 0.846 501 A HN 0.259 nan 8.150 nan 0.000 0.446 502 A N -2.883 119.959 122.820 0.036 0.000 2.511 502 A HA 0.636 4.955 4.320 -0.000 0.000 0.293 502 A C -0.280 177.401 177.584 0.162 0.000 1.098 502 A CA -0.160 51.934 52.037 0.095 0.000 0.643 502 A CB -0.422 18.688 19.000 0.184 0.000 1.302 502 A HN 1.656 nan 8.150 nan 0.000 0.446 503 A N 0.001 122.923 122.820 0.170 0.000 2.520 503 A HA 0.524 4.844 4.320 -0.000 0.000 0.245 503 A C 1.458 179.096 177.584 0.090 0.000 1.072 503 A CA 0.698 52.818 52.037 0.138 0.000 0.761 503 A CB -0.306 18.768 19.000 0.123 0.000 1.004 503 A HN 2.345 nan 8.150 nan 0.000 0.499 504 A N 2.598 125.444 122.820 0.043 0.000 1.948 504 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 504 A C 2.143 179.545 177.584 -0.305 0.000 1.177 504 A CA 1.877 53.813 52.037 -0.167 0.000 0.636 504 A CB -0.388 18.472 19.000 -0.234 0.000 0.815 504 A HN 0.907 nan 8.150 nan 0.000 0.449 505 R N -0.678 119.788 120.500 -0.056 0.000 2.237 505 R HA -0.116 4.224 4.340 -0.000 0.000 0.219 505 R C 0.536 176.862 176.300 0.043 0.000 1.080 505 R CA 1.366 57.512 56.100 0.076 0.000 0.995 505 R CB -0.107 30.300 30.300 0.178 0.000 0.875 505 R HN 0.460 nan 8.270 nan 0.000 0.462 506 D N -0.425 119.990 120.400 0.026 0.000 2.354 506 D HA -0.019 4.621 4.640 -0.000 0.000 0.209 506 D C 1.535 177.817 176.300 -0.029 0.000 1.015 506 D CA 0.766 54.766 54.000 -0.001 0.000 0.867 506 D CB 0.395 41.212 40.800 0.027 0.000 0.933 506 D HN 0.494 nan 8.370 nan 0.000 0.520 507 I N -3.578 117.011 120.570 0.032 0.000 4.471 507 I HA 0.205 4.375 4.170 -0.000 0.000 0.326 507 I C 0.390 176.596 176.117 0.149 0.000 1.300 507 I CA -0.158 61.230 61.300 0.147 0.000 1.237 507 I CB 0.427 38.642 38.000 0.358 0.000 1.195 507 I HN -0.278 nan 8.210 nan 0.000 0.427 508 L N 1.997 123.183 121.223 -0.062 0.000 2.387 508 L HA 0.474 4.814 4.340 -0.000 0.000 0.266 508 L C -0.199 176.697 176.870 0.044 0.000 1.059 508 L CA -1.048 53.703 54.840 -0.147 0.000 0.801 508 L CB 1.815 43.564 42.059 -0.518 0.000 1.223 508 L HN -0.025 nan 8.230 nan 0.000 0.456 509 I N 3.432 124.071 120.570 0.114 0.000 2.337 509 I HA 0.220 4.390 4.170 -0.000 0.000 0.291 509 I C -1.937 174.364 176.117 0.307 0.000 1.046 509 I CA -2.077 59.325 61.300 0.169 0.000 1.324 509 I CB 0.687 38.744 38.000 0.094 0.000 1.409 509 I HN 0.245 nan 8.210 nan 0.000 0.494 510 P HA 0.224 nan 4.420 nan 0.000 0.276 510 P C -0.253 177.021 177.300 -0.045 0.000 1.244 510 P CA -0.052 63.077 63.100 0.049 0.000 0.801 510 P CB 1.291 33.023 31.700 0.054 0.000 1.006 511 T N -3.483 110.978 114.554 -0.156 0.000 2.841 511 T HA 0.330 4.680 4.350 -0.000 0.000 0.276 511 T C 1.307 175.949 174.700 -0.097 0.000 1.003 511 T CA -0.202 61.841 62.100 -0.096 0.000 0.995 511 T CB -0.177 68.634 68.868 -0.095 0.000 1.260 511 T HN 0.404 nan 8.240 nan 0.000 0.581 512 T N -1.052 113.464 114.554 -0.064 0.000 3.113 512 T HA 0.120 4.470 4.350 -0.000 0.000 0.263 512 T C 0.686 175.347 174.700 -0.064 0.000 1.143 512 T CA 0.308 62.377 62.100 -0.052 0.000 1.090 512 T CB -0.677 68.172 68.868 -0.032 0.000 0.922 512 T HN 0.661 nan 8.240 nan 0.000 0.521 513 T N 2.678 117.178 114.554 -0.089 0.000 2.749 513 T HA 0.326 4.676 4.350 -0.000 0.000 0.287 513 T C -0.143 174.474 174.700 -0.139 0.000 0.970 513 T CA -0.799 61.248 62.100 -0.089 0.000 0.980 513 T CB 1.644 70.468 68.868 -0.073 0.000 0.924 513 T HN 0.234 nan 8.240 nan 0.000 0.456 514 K N 2.684 123.022 120.400 -0.103 0.000 2.489 514 K HA -0.040 4.280 4.320 -0.000 0.000 0.278 514 K C 0.068 176.592 176.600 -0.127 0.000 1.000 514 K CA 0.304 56.523 56.287 -0.113 0.000 1.012 514 K CB 0.205 32.673 32.500 -0.054 0.000 0.903 514 K HN 0.653 nan 8.250 nan 0.000 0.485 515 D N 0.421 120.713 120.400 -0.180 0.000 2.946 515 D HA -0.160 4.480 4.640 -0.000 0.000 0.202 515 D C -0.673 175.542 176.300 -0.141 0.000 1.068 515 D CA 0.846 54.804 54.000 -0.071 0.000 1.011 515 D CB -0.943 39.884 40.800 0.045 0.000 1.105 515 D HN 0.217 nan 8.370 nan 0.000 0.425 516 V N 1.312 121.013 119.914 -0.355 0.000 2.384 516 V HA 0.420 4.540 4.120 -0.000 0.000 0.287 516 V C -0.011 175.795 176.094 -0.480 0.000 1.020 516 V CA -0.640 61.525 62.300 -0.226 0.000 0.850 516 V CB 1.232 32.990 31.823 -0.109 0.000 0.987 516 V HN -0.038 nan 8.190 nan 0.000 0.436 517 Y N 2.062 122.366 120.300 0.007 0.000 2.534 517 Y HA 0.730 5.280 4.550 -0.000 0.000 0.329 517 Y C 0.742 176.631 175.900 -0.019 0.000 1.154 517 Y CA -0.636 57.458 58.100 -0.010 0.000 1.192 517 Y CB 1.263 39.709 38.460 -0.023 0.000 1.275 517 Y HN 0.700 nan 8.280 nan 0.000 0.491 518 A N 1.152 124.041 122.820 0.117 0.000 2.425 518 A HA 0.581 4.901 4.320 -0.000 0.000 0.242 518 A C -0.437 177.169 177.584 0.038 0.000 1.077 518 A CA -0.159 51.912 52.037 0.055 0.000 0.781 518 A CB -0.110 18.919 19.000 0.048 0.000 1.020 518 A HN 0.854 nan 8.150 nan 0.000 0.494 519 V N -0.376 119.555 119.914 0.029 0.000 3.078 519 V HA 0.695 4.814 4.120 -0.000 0.000 0.311 519 V C -0.533 175.580 176.094 0.032 0.000 1.138 519 V CA -0.669 61.647 62.300 0.026 0.000 1.007 519 V CB 1.773 33.613 31.823 0.028 0.000 1.045 519 V HN 1.001 nan 8.190 nan 0.000 0.432 520 D N 1.805 122.230 120.400 0.040 0.000 2.425 520 D HA 0.207 4.847 4.640 -0.000 0.000 0.274 520 D C 0.750 177.070 176.300 0.034 0.000 1.242 520 D CA 0.092 54.117 54.000 0.042 0.000 1.060 520 D CB 0.011 40.843 40.800 0.054 0.000 1.112 520 D HN 0.562 nan 8.370 nan 0.000 0.561 521 N N -0.876 117.843 118.700 0.032 0.000 2.149 521 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 521 N C 0.880 176.406 175.510 0.027 0.000 1.019 521 N CA 1.412 54.478 53.050 0.026 0.000 0.857 521 N CB -0.500 38.001 38.487 0.024 0.000 0.997 521 N HN 0.461 nan 8.380 nan 0.000 0.426 522 N N -0.796 117.924 118.700 0.033 0.000 2.461 522 N HA 0.130 4.870 4.740 -0.000 0.000 0.188 522 N C 0.844 176.376 175.510 0.037 0.000 1.134 522 N CA 0.487 53.557 53.050 0.034 0.000 0.878 522 N CB 0.418 38.928 38.487 0.039 0.000 0.972 522 N HN 0.297 nan 8.380 nan 0.000 0.456 523 G N -0.103 108.720 108.800 0.037 0.000 2.157 523 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.248 523 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.248 523 G C 0.116 175.045 174.900 0.047 0.000 0.979 523 G CA 0.033 45.155 45.100 0.037 0.000 0.650 523 G HN 0.532 nan 8.290 nan 0.000 0.529 524 A N 0.448 123.303 122.820 0.057 0.000 2.363 524 A HA 0.720 5.040 4.320 -0.000 0.000 0.270 524 A C 0.834 178.455 177.584 0.063 0.000 1.121 524 A CA 0.764 52.849 52.037 0.078 0.000 0.800 524 A CB 0.418 19.474 19.000 0.094 0.000 1.052 524 A HN 0.769 nan 8.150 nan 0.000 0.493 525 T N 1.809 116.391 114.554 0.047 0.000 2.928 525 T HA 0.328 4.678 4.350 -0.000 0.000 0.305 525 T C 0.251 174.864 174.700 -0.146 0.000 1.035 525 T CA 0.182 62.234 62.100 -0.079 0.000 1.145 525 T CB 0.247 69.009 68.868 -0.177 0.000 0.963 525 T HN 0.423 nan 8.240 nan 0.000 0.545 526 V N 4.353 124.162 119.914 -0.176 0.000 2.427 526 V HA 0.502 4.622 4.120 -0.000 0.000 0.286 526 V C -0.350 175.613 176.094 -0.217 0.000 1.034 526 V CA -0.776 61.480 62.300 -0.074 0.000 0.893 526 V CB 0.851 32.692 31.823 0.030 0.000 0.982 526 V HN 0.696 nan 8.190 nan 0.000 0.452 527 F N 1.555 121.615 119.950 0.184 0.000 2.470 527 F HA 0.501 5.028 4.527 -0.000 0.000 0.329 527 F C 0.760 176.628 175.800 0.114 0.000 1.072 527 F CA -0.639 57.479 58.000 0.195 0.000 0.989 527 F CB 1.164 40.389 39.000 0.375 0.000 1.193 527 F HN 0.428 nan 8.300 nan 0.000 0.481 528 Q N 1.177 121.111 119.800 0.223 0.000 2.492 528 Q HA 0.114 4.454 4.340 -0.000 0.000 0.238 528 Q C -0.424 175.565 176.000 -0.018 0.000 1.045 528 Q CA -0.519 55.324 55.803 0.066 0.000 0.934 528 Q CB 0.405 29.141 28.738 -0.003 0.000 1.276 528 Q HN 0.471 nan 8.270 nan 0.000 0.521 529 N N 0.303 118.985 118.700 -0.030 0.000 2.513 529 N HA -0.040 4.700 4.740 -0.000 0.000 0.268 529 N C 0.948 176.355 175.510 -0.172 0.000 1.180 529 N CA 0.030 53.045 53.050 -0.057 0.000 0.948 529 N CB 1.121 39.602 38.487 -0.009 0.000 1.083 529 N HN 0.343 nan 8.380 nan 0.000 0.455 530 V N 2.510 122.286 119.914 -0.229 0.000 2.324 530 V HA -0.256 3.864 4.120 -0.000 0.000 0.250 530 V C 1.979 178.084 176.094 0.018 0.000 1.060 530 V CA 1.731 63.873 62.300 -0.264 0.000 1.042 530 V CB -0.426 31.331 31.823 -0.109 0.000 0.650 530 V HN 0.671 nan 8.190 nan 0.000 0.450 531 E N -0.300 119.914 120.200 0.023 0.000 2.204 531 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 531 E C 1.694 178.295 176.600 0.002 0.000 0.990 531 E CA 1.221 57.634 56.400 0.023 0.000 0.821 531 E CB -0.122 29.574 29.700 -0.006 0.000 0.750 531 E HN 0.663 nan 8.360 nan 0.000 0.477 532 D N 0.227 120.618 120.400 -0.015 0.000 2.305 532 D HA 0.036 4.676 4.640 -0.000 0.000 0.206 532 D C 0.678 176.961 176.300 -0.029 0.000 0.974 532 D CA 0.243 54.229 54.000 -0.024 0.000 0.871 532 D CB 0.269 41.053 40.800 -0.027 0.000 0.947 532 D HN 0.143 nan 8.370 nan 0.000 0.516 533 I N 2.355 122.898 120.570 -0.046 0.000 2.662 533 I HA -0.024 4.146 4.170 -0.000 0.000 0.285 533 I C 0.374 176.463 176.117 -0.047 0.000 1.161 533 I CA 0.420 61.630 61.300 -0.149 0.000 1.415 533 I CB 0.280 38.046 38.000 -0.390 0.000 1.385 533 I HN -0.351 nan 8.210 nan 0.000 0.552 534 R N 6.325 126.721 120.500 -0.174 0.000 2.502 534 R HA 0.270 4.610 4.340 -0.000 0.000 0.298 534 R C -1.418 174.789 176.300 -0.155 0.000 1.018 534 R CA -0.930 55.140 56.100 -0.050 0.000 0.899 534 R CB 1.208 31.517 30.300 0.016 0.000 1.181 534 R HN 0.392 nan 8.270 nan 0.000 0.444 535 Y N 1.781 122.185 120.300 0.173 0.000 2.568 535 Y HA 0.076 4.626 4.550 -0.000 0.000 0.338 535 Y C 1.644 177.599 175.900 0.091 0.000 1.245 535 Y CA -0.068 58.089 58.100 0.095 0.000 1.667 535 Y CB 0.249 38.742 38.460 0.055 0.000 1.568 535 Y HN 0.548 nan 8.280 nan 0.000 0.471 536 T N -4.117 110.531 114.554 0.158 0.000 2.955 536 T HA 0.071 4.421 4.350 -0.000 0.000 0.251 536 T C 0.675 175.433 174.700 0.096 0.000 1.002 536 T CA -0.145 62.026 62.100 0.117 0.000 0.970 536 T CB -0.078 68.838 68.868 0.080 0.000 1.091 536 T HN 0.276 nan 8.240 nan 0.000 0.495 537 T N 3.594 118.207 114.554 0.098 0.000 2.867 537 T HA 0.337 4.687 4.350 -0.000 0.000 0.297 537 T C 0.071 174.823 174.700 0.087 0.000 0.989 537 T CA 0.087 62.237 62.100 0.083 0.000 1.159 537 T CB 0.504 69.423 68.868 0.086 0.000 0.928 537 T HN 0.323 nan 8.240 nan 0.000 0.538 538 R N 1.121 121.661 120.500 0.067 0.000 2.902 538 R HA 0.783 5.123 4.340 -0.000 0.000 0.258 538 R C 0.337 176.674 176.300 0.060 0.000 1.071 538 R CA -0.998 55.145 56.100 0.071 0.000 1.024 538 R CB 1.976 32.305 30.300 0.050 0.000 1.184 538 R HN 0.743 nan 8.270 nan 0.000 0.492 539 G N -0.440 108.411 108.800 0.086 0.000 2.949 539 G HA2 0.470 4.430 3.960 -0.000 0.000 0.285 539 G HA3 0.470 4.430 3.960 -0.000 0.000 0.285 539 G C -0.914 174.065 174.900 0.131 0.000 1.395 539 G CA -0.522 44.617 45.100 0.065 0.000 0.901 539 G HN 0.535 nan 8.290 nan 0.000 0.519 540 T N -1.966 112.643 114.554 0.093 0.000 2.944 540 T HA 0.769 5.119 4.350 -0.000 0.000 0.284 540 T C -0.190 174.588 174.700 0.129 0.000 1.010 540 T CA -0.728 61.461 62.100 0.149 0.000 1.025 540 T CB 2.016 70.924 68.868 0.065 0.000 1.079 540 T HN 0.494 nan 8.240 nan 0.000 0.516 541 R N 0.149 120.739 120.500 0.150 0.000 2.686 541 R HA 0.311 4.651 4.340 -0.000 0.000 0.286 541 R C 1.033 177.339 176.300 0.011 0.000 0.969 541 R CA -0.694 55.413 56.100 0.012 0.000 0.898 541 R CB 2.036 32.201 30.300 -0.225 0.000 1.183 541 R HN 0.980 nan 8.270 nan 0.000 0.456 542 E N 1.481 121.676 120.200 -0.007 0.000 2.072 542 E HA -0.190 4.160 4.350 -0.000 0.000 0.190 542 E C 0.627 177.212 176.600 -0.026 0.000 0.982 542 E CA 1.723 58.116 56.400 -0.012 0.000 0.803 542 E CB 0.302 29.995 29.700 -0.011 0.000 0.755 542 E HN 0.621 nan 8.360 nan 0.000 0.453 543 D N -0.189 120.178 120.400 -0.055 0.000 2.355 543 D HA -0.018 4.622 4.640 -0.000 0.000 0.218 543 D C -0.031 176.206 176.300 -0.106 0.000 1.004 543 D CA 0.396 54.347 54.000 -0.082 0.000 0.880 543 D CB 0.055 40.791 40.800 -0.106 0.000 0.911 543 D HN 0.158 nan 8.370 nan 0.000 0.528 544 E N 0.034 120.178 120.200 -0.095 0.000 2.340 544 E HA 0.244 4.594 4.350 -0.000 0.000 0.273 544 E C -0.687 175.994 176.600 0.135 0.000 0.891 544 E CA -0.838 55.542 56.400 -0.034 0.000 0.757 544 E CB 2.055 31.654 29.700 -0.170 0.000 1.231 544 E HN -0.033 nan 8.360 nan 0.000 0.439 545 E N 0.782 121.053 120.200 0.118 0.000 2.343 545 E HA 0.507 4.857 4.350 -0.000 0.000 0.269 545 E C 0.335 176.990 176.600 0.092 0.000 1.047 545 E CA 0.182 56.639 56.400 0.095 0.000 0.874 545 E CB 1.539 31.258 29.700 0.031 0.000 1.033 545 E HN 0.781 nan 8.360 nan 0.000 0.409 546 G N 0.996 109.797 108.800 0.001 0.000 2.384 546 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.668 546 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.668 546 G C -1.304 173.430 174.900 -0.277 0.000 1.280 546 G CA -0.948 44.027 45.100 -0.209 0.000 0.992 546 G HN 0.340 nan 8.290 nan 0.000 0.512 547 L N -0.156 120.792 121.223 -0.459 0.000 2.322 547 L HA 0.783 5.123 4.340 -0.000 0.000 0.281 547 L C -0.579 175.982 176.870 -0.515 0.000 1.014 547 L CA -0.691 53.978 54.840 -0.285 0.000 0.815 547 L CB 1.513 43.490 42.059 -0.137 0.000 1.247 547 L HN 0.454 nan 8.230 nan 0.000 0.421 548 F N 2.619 122.601 119.950 0.053 0.000 2.579 548 F HA 0.601 5.128 4.527 -0.000 0.000 0.324 548 F C -2.077 173.769 175.800 0.077 0.000 1.058 548 F CA -2.303 55.747 58.000 0.084 0.000 0.944 548 F CB 1.465 40.539 39.000 0.123 0.000 1.245 548 F HN 0.257 nan 8.300 nan 0.000 0.477 549 P HA 0.257 nan 4.420 nan 0.000 0.272 549 P C -0.782 176.618 177.300 0.167 0.000 1.230 549 P CA 0.078 63.279 63.100 0.169 0.000 0.788 549 P CB 1.253 33.027 31.700 0.122 0.000 0.949 550 I N 0.409 121.058 120.570 0.132 0.000 2.389 550 I HA 0.571 4.741 4.170 -0.000 0.000 0.288 550 I C 0.708 176.894 176.117 0.115 0.000 0.999 550 I CA -0.187 61.208 61.300 0.158 0.000 1.129 550 I CB 1.159 39.241 38.000 0.136 0.000 1.288 550 I HN 0.658 nan 8.210 nan 0.000 0.444 551 G N 3.739 112.578 108.800 0.066 0.000 2.707 551 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.686 551 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.686 551 G C 0.534 175.308 174.900 -0.210 0.000 1.315 551 G CA -0.361 44.694 45.100 -0.075 0.000 0.832 551 G HN 0.933 nan 8.290 nan 0.000 0.573 552 G N -1.083 107.559 108.800 -0.262 0.000 2.408 552 G HA2 0.159 4.118 3.960 -0.000 0.000 0.217 552 G HA3 0.159 4.118 3.960 -0.000 0.000 0.217 552 G C 1.923 176.654 174.900 -0.280 0.000 1.150 552 G CA 2.227 47.160 45.100 -0.278 0.000 0.776 552 G HN 1.373 nan 8.290 nan 0.000 0.542 553 V N 1.986 121.699 119.914 -0.335 0.000 2.255 553 V HA -0.121 3.998 4.120 -0.000 0.000 0.247 553 V C 0.386 176.219 176.094 -0.435 0.000 1.051 553 V CA 2.253 64.271 62.300 -0.470 0.000 1.018 553 V CB -1.178 30.185 31.823 -0.766 0.000 0.641 553 V HN 0.275 nan 8.190 nan 0.000 0.445 554 P HA -0.150 nan 4.420 nan 0.000 0.216 554 P C 1.903 179.127 177.300 -0.127 0.000 1.150 554 P CA 1.147 64.134 63.100 -0.187 0.000 0.837 554 P CB -0.065 31.600 31.700 -0.058 0.000 0.786 555 L N -0.301 120.837 121.223 -0.142 0.000 2.046 555 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 555 L C 2.241 179.000 176.870 -0.184 0.000 1.077 555 L CA 2.365 57.122 54.840 -0.137 0.000 0.747 555 L CB -1.618 40.359 42.059 -0.136 0.000 0.896 555 L HN -0.051 nan 8.230 nan 0.000 0.432 556 G N -0.329 108.355 108.800 -0.193 0.000 2.421 556 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 556 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 556 G C 1.643 176.452 174.900 -0.152 0.000 1.171 556 G CA 1.095 46.087 45.100 -0.180 0.000 0.775 556 G HN 0.464 nan 8.290 nan 0.000 0.543 557 I N 0.486 120.972 120.570 -0.139 0.000 2.163 557 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 557 I C 2.673 178.764 176.117 -0.044 0.000 1.085 557 I CA 1.620 62.883 61.300 -0.062 0.000 1.347 557 I CB -0.267 37.722 38.000 -0.019 0.000 1.044 557 I HN 0.318 nan 8.210 nan 0.000 0.408 558 E N 1.521 121.680 120.200 -0.068 0.000 2.058 558 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 558 E C 2.328 178.840 176.600 -0.146 0.000 0.997 558 E CA 1.501 57.865 56.400 -0.059 0.000 0.801 558 E CB -0.035 29.638 29.700 -0.045 0.000 0.746 558 E HN 0.446 nan 8.360 nan 0.000 0.450 559 I N 0.841 121.232 120.570 -0.297 0.000 2.142 559 I HA -0.278 3.892 4.170 -0.000 0.000 0.240 559 I C 2.628 178.674 176.117 -0.119 0.000 1.078 559 I CA 1.095 62.176 61.300 -0.365 0.000 1.343 559 I CB -0.407 37.377 38.000 -0.360 0.000 1.046 559 I HN 0.208 nan 8.210 nan 0.000 0.405 560 A N 0.406 123.185 122.820 -0.069 0.000 1.908 560 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 560 A C 1.972 179.599 177.584 0.071 0.000 1.181 560 A CA 2.126 54.164 52.037 0.001 0.000 0.627 560 A CB -0.634 18.352 19.000 -0.023 0.000 0.818 560 A HN 0.356 nan 8.150 nan 0.000 0.445 561 D N -0.730 119.704 120.400 0.057 0.000 2.123 561 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 561 D C 1.915 178.304 176.300 0.149 0.000 0.992 561 D CA 1.544 55.610 54.000 0.110 0.000 0.833 561 D CB -0.336 40.515 40.800 0.085 0.000 0.954 561 D HN 0.744 nan 8.370 nan 0.000 0.455 562 E N 0.291 120.555 120.200 0.105 0.000 2.051 562 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 562 E C 2.334 179.012 176.600 0.130 0.000 0.991 562 E CA 0.722 57.193 56.400 0.119 0.000 0.799 562 E CB -0.102 29.678 29.700 0.133 0.000 0.748 562 E HN 0.227 nan 8.360 nan 0.000 0.449 563 I N 0.256 120.906 120.570 0.133 0.000 2.179 563 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 563 I C 2.317 178.525 176.117 0.152 0.000 1.088 563 I CA 1.028 62.416 61.300 0.145 0.000 1.357 563 I CB -0.329 37.756 38.000 0.142 0.000 1.051 563 I HN 0.187 nan 8.210 nan 0.000 0.409 564 F N 2.169 122.146 119.950 0.045 0.000 2.102 564 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 564 F C 2.341 178.167 175.800 0.043 0.000 1.105 564 F CA 1.670 59.695 58.000 0.043 0.000 1.239 564 F CB -0.352 38.677 39.000 0.047 0.000 0.991 564 F HN 0.069 nan 8.300 nan 0.000 0.474 565 N N 0.519 119.327 118.700 0.180 0.000 2.205 565 N HA -0.186 4.554 4.740 -0.000 0.000 0.186 565 N C 1.144 176.653 175.510 -0.001 0.000 1.015 565 N CA 1.297 54.398 53.050 0.086 0.000 0.862 565 N CB -0.683 37.874 38.487 0.117 0.000 0.986 565 N HN 0.432 nan 8.380 nan 0.000 0.429 566 N N 0.157 118.864 118.700 0.012 0.000 2.398 566 N HA 0.033 4.773 4.740 -0.000 0.000 0.188 566 N C 0.520 176.011 175.510 -0.031 0.000 1.122 566 N CA 0.473 53.525 53.050 0.003 0.000 0.866 566 N CB 0.465 38.975 38.487 0.038 0.000 0.970 566 N HN 0.230 nan 8.380 nan 0.000 0.462 567 G N 1.740 110.474 108.800 -0.109 0.000 2.221 567 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.265 567 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.265 567 G C 0.136 175.006 174.900 -0.050 0.000 1.041 567 G CA 0.387 45.397 45.100 -0.150 0.000 0.807 567 G HN 0.420 nan 8.290 nan 0.000 0.502 568 L N -2.038 119.193 121.223 0.013 0.000 3.425 568 L HA -0.116 4.224 4.340 -0.000 0.000 0.686 568 L C 0.263 177.259 176.870 0.210 0.000 1.147 568 L CA 1.823 56.746 54.840 0.139 0.000 1.187 568 L CB -0.923 41.176 42.059 0.067 0.000 1.670 568 L HN 0.820 nan 8.230 nan 0.000 0.874 569 K N 4.498 124.982 120.400 0.140 0.000 2.316 569 K HA 0.755 5.075 4.320 -0.000 0.000 0.251 569 K C -2.602 173.928 176.600 -0.117 0.000 0.934 569 K CA -2.198 54.058 56.287 -0.052 0.000 0.802 569 K CB 2.046 34.524 32.500 -0.036 0.000 1.171 569 K HN 0.127 nan 8.250 nan 0.000 0.426 570 P HA 0.008 nan 4.420 nan 0.000 0.268 570 P C -0.979 176.310 177.300 -0.019 0.000 1.204 570 P CA 0.018 62.915 63.100 -0.339 0.000 0.768 570 P CB 0.531 31.967 31.700 -0.440 0.000 0.842 571 T N 6.608 121.250 114.554 0.146 0.000 2.831 571 T HA 0.095 4.444 4.350 -0.000 0.000 0.291 571 T C -1.940 172.793 174.700 0.055 0.000 0.981 571 T CA -0.590 61.590 62.100 0.134 0.000 1.174 571 T CB -0.601 68.387 68.868 0.201 0.000 0.929 571 T HN 0.359 nan 8.240 nan 0.000 0.532 572 P HA 0.078 nan 4.420 nan 0.000 0.263 572 P C -1.851 175.432 177.300 -0.028 0.000 1.195 572 P CA -1.455 61.608 63.100 -0.063 0.000 0.762 572 P CB 0.499 32.170 31.700 -0.049 0.000 0.799 573 P HA -0.182 nan 4.420 nan 0.000 0.220 573 P C 0.838 178.143 177.300 0.007 0.000 1.144 573 P CA 1.512 64.614 63.100 0.004 0.000 0.800 573 P CB 0.108 31.791 31.700 -0.029 0.000 0.772 574 E N 0.225 120.415 120.200 -0.016 0.000 2.268 574 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 574 E C 1.941 178.550 176.600 0.015 0.000 0.995 574 E CA 0.822 57.220 56.400 -0.004 0.000 0.836 574 E CB -0.775 28.917 29.700 -0.014 0.000 0.763 574 E HN 0.501 nan 8.360 nan 0.000 0.491 575 I N -2.579 118.007 120.570 0.027 0.000 4.018 575 I HA 0.159 4.329 4.170 -0.000 0.000 0.337 575 I C 0.162 176.313 176.117 0.058 0.000 1.327 575 I CA -0.477 60.850 61.300 0.045 0.000 1.100 575 I CB 0.295 38.326 38.000 0.052 0.000 1.025 575 I HN -0.197 nan 8.210 nan 0.000 0.396 576 Q N 2.851 122.683 119.800 0.054 0.000 2.394 576 Q HA 0.375 4.715 4.340 -0.000 0.000 0.248 576 Q C -1.905 174.114 176.000 0.032 0.000 0.992 576 Q CA -1.133 54.702 55.803 0.053 0.000 0.888 576 Q CB 0.302 29.078 28.738 0.064 0.000 1.257 576 Q HN 0.201 nan 8.270 nan 0.000 0.462 577 P HA 0.000 nan 4.420 nan 0.000 0.216 577 P CA 0.000 63.100 63.100 -0.001 0.000 0.800 577 P CB 0.000 31.681 31.700 -0.031 0.000 0.726