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 1e15_1_B DATA FIRST_RESID 4 DATA SEQUENCE RKAVIGYYFI PTNQINNYTE TDTSVVPFPV SNITPAKAKQ LTHINFSFLD DATA SEQUENCE INSNLECAWD PATNDAKARD VVNRLTALKA HNPSLRIMFS IGGWYYSNDL DATA SEQUENCE GVSHANYVNA VKTPASRAKF AQSCVRIMKD YGFDGVDIDW EYPQAAEVDG DATA SEQUENCE FIAALQEIRT LLNQQTITDG RQALPYQLTI AGAGGAFFLS RYYSKLAQIV DATA SEQUENCE APLDYINLMT YDLAGPWEKV TNHQAALFGD AAGPTFYNAL REANLGWSWE DATA SEQUENCE ELTRAFPSPF SLTVDAAVQQ HLMMEGVPSA KIVMGVPFYG RAFKGVSGGN DATA SEQUENCE GGQYSSHSTP GEDPYPSTDY WLVGCEECVR DKDPRIASYR QLEQMLQGNY DATA SEQUENCE GYQRLWNDKT KTPYLYHAQN GLFVTYDDAE SFKYKAKYIK QQQLGGVMFW DATA SEQUENCE HLGQDNRNGD LLAALDRYFN AADYDDSQLD MGTGLRYTGV GPGNLPIMTA DATA SEQUENCE PAYVPGTTYA QGALVSYQGY VWQTKWGYIT SAPGSDSAWL KVGRVA 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 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.273 176.300 -0.046 0.000 0.893 4 R CA 0.000 56.099 56.100 -0.002 0.000 0.921 4 R CB 0.000 30.318 30.300 0.030 0.000 0.687 5 K N 1.967 122.265 120.400 -0.170 0.000 2.237 5 K HA 0.349 4.669 4.320 0.000 0.000 0.270 5 K C -0.069 176.428 176.600 -0.172 0.000 1.015 5 K CA 0.001 56.099 56.287 -0.315 0.000 0.949 5 K CB 1.346 33.282 32.500 -0.940 0.000 0.976 5 K HN 0.667 nan 8.250 nan 0.000 0.472 6 A N 1.676 124.399 122.820 -0.162 0.000 2.371 6 A HA 0.363 4.683 4.320 0.000 0.000 0.257 6 A C -0.321 177.250 177.584 -0.021 0.000 1.089 6 A CA -0.488 51.486 52.037 -0.105 0.000 0.794 6 A CB 0.447 19.171 19.000 -0.461 0.000 1.029 6 A HN 0.356 nan 8.150 nan 0.000 0.488 7 V N 4.132 124.107 119.914 0.102 0.000 2.385 7 V HA 0.259 4.380 4.120 0.000 0.000 0.277 7 V C -0.596 175.577 176.094 0.132 0.000 1.012 7 V CA 0.061 62.478 62.300 0.194 0.000 0.832 7 V CB 0.739 32.734 31.823 0.285 0.000 1.028 7 V HN 0.708 nan 8.190 nan 0.000 0.436 8 I N 4.174 124.739 120.570 -0.009 0.000 2.330 8 I HA 0.583 4.753 4.170 0.000 0.000 0.286 8 I C 0.896 176.718 176.117 -0.491 0.000 1.025 8 I CA -0.154 61.044 61.300 -0.169 0.000 1.197 8 I CB 1.537 39.381 38.000 -0.261 0.000 1.358 8 I HN 0.639 nan 8.210 nan 0.000 0.467 9 G N 5.325 113.752 108.800 -0.621 0.000 2.356 9 G HA2 0.487 4.447 3.960 0.000 0.000 0.322 9 G HA3 0.487 4.447 3.960 0.000 0.000 0.322 9 G C -1.205 173.369 174.900 -0.543 0.000 1.125 9 G CA -0.298 44.072 45.100 -1.216 0.000 0.885 9 G HN 0.337 nan 8.290 nan 0.000 0.467 10 Y N 0.608 120.606 120.300 -0.502 0.000 2.319 10 Y HA 0.328 4.879 4.550 0.000 0.000 0.328 10 Y C -0.299 175.493 175.900 -0.181 0.000 1.133 10 Y CA 0.055 58.011 58.100 -0.240 0.000 1.265 10 Y CB 1.484 39.824 38.460 -0.200 0.000 1.218 10 Y HN 0.529 nan 8.280 nan 0.000 0.508 11 Y N 5.622 125.876 120.300 -0.076 0.000 2.388 11 Y HA 0.380 4.930 4.550 0.000 0.000 0.328 11 Y C -1.734 174.031 175.900 -0.225 0.000 0.963 11 Y CA -1.665 56.405 58.100 -0.051 0.000 1.240 11 Y CB 0.362 38.889 38.460 0.112 0.000 1.118 11 Y HN 0.509 nan 8.280 nan 0.000 0.484 12 F N 8.717 128.125 119.950 -0.902 0.000 2.411 12 F HA 0.616 5.143 4.527 0.000 0.000 0.352 12 F C -1.453 173.891 175.800 -0.760 0.000 1.123 12 F CA -1.511 55.962 58.000 -0.880 0.000 1.044 12 F CB 0.705 39.064 39.000 -1.068 0.000 1.135 12 F HN 0.478 nan 8.300 nan 0.000 0.461 13 I N 9.137 128.959 120.570 -1.246 0.000 2.497 13 I HA 0.436 4.606 4.170 0.000 0.000 0.284 13 I C -2.655 172.983 176.117 -0.798 0.000 1.060 13 I CA -2.496 58.265 61.300 -0.898 0.000 1.071 13 I CB 1.783 39.612 38.000 -0.284 0.000 1.216 13 I HN 0.411 nan 8.210 nan 0.000 0.442 14 P HA 0.155 nan 4.420 nan 0.000 0.268 14 P C 0.631 177.879 177.300 -0.087 0.000 1.208 14 P CA -0.105 62.771 63.100 -0.373 0.000 0.777 14 P CB 0.617 32.177 31.700 -0.234 0.000 0.875 15 T N 0.659 115.243 114.554 0.050 0.000 2.699 15 T HA -0.190 4.160 4.350 0.000 0.000 0.268 15 T C 1.552 176.303 174.700 0.085 0.000 1.036 15 T CA 1.924 64.099 62.100 0.126 0.000 1.147 15 T CB -0.849 68.124 68.868 0.176 0.000 0.862 15 T HN 0.649 nan 8.240 nan 0.000 0.446 16 N N 1.473 120.204 118.700 0.052 0.000 2.289 16 N HA -0.174 4.566 4.740 0.000 0.000 0.184 16 N C 1.666 177.204 175.510 0.047 0.000 1.016 16 N CA 1.336 54.412 53.050 0.044 0.000 0.872 16 N CB -0.422 38.081 38.487 0.028 0.000 0.973 16 N HN 0.508 nan 8.380 nan 0.000 0.433 17 Q N 0.035 119.857 119.800 0.037 0.000 2.137 17 Q HA 0.171 4.511 4.340 0.000 0.000 0.198 17 Q C 2.265 178.368 176.000 0.172 0.000 0.960 17 Q CA 0.689 56.535 55.803 0.071 0.000 0.847 17 Q CB 0.121 28.875 28.738 0.028 0.000 0.915 17 Q HN 0.409 nan 8.270 nan 0.000 0.448 18 I N 1.211 121.877 120.570 0.161 0.000 2.179 18 I HA -0.281 3.889 4.170 0.000 0.000 0.242 18 I C 1.603 177.806 176.117 0.143 0.000 1.088 18 I CA 0.851 62.262 61.300 0.186 0.000 1.357 18 I CB -0.226 37.875 38.000 0.168 0.000 1.051 18 I HN 0.196 nan 8.210 nan 0.000 0.409 19 N N 0.926 119.686 118.700 0.100 0.000 2.289 19 N HA -0.128 4.613 4.740 0.000 0.000 0.184 19 N C 0.808 176.365 175.510 0.078 0.000 1.016 19 N CA 1.057 54.149 53.050 0.070 0.000 0.872 19 N CB -0.290 38.230 38.487 0.056 0.000 0.973 19 N HN 0.378 nan 8.380 nan 0.000 0.433 20 N N -0.312 118.444 118.700 0.093 0.000 2.338 20 N HA -0.025 4.716 4.740 0.000 0.000 0.251 20 N C -0.654 174.910 175.510 0.091 0.000 1.199 20 N CA -0.282 52.811 53.050 0.071 0.000 0.879 20 N CB 0.225 38.734 38.487 0.037 0.000 1.159 20 N HN 0.216 nan 8.380 nan 0.000 0.514 21 Y N 2.125 122.438 120.300 0.022 0.000 2.895 21 Y HA -0.046 4.504 4.550 0.000 0.000 0.334 21 Y C 0.637 176.549 175.900 0.020 0.000 1.261 21 Y CA 1.026 59.145 58.100 0.031 0.000 1.560 21 Y CB 0.443 38.929 38.460 0.044 0.000 1.253 21 Y HN -0.084 nan 8.280 nan 0.000 0.582 22 T N 4.968 119.123 114.554 -0.665 0.000 2.942 22 T HA 0.268 4.618 4.350 0.000 0.000 0.327 22 T C -0.405 173.949 174.700 -0.577 0.000 1.360 22 T CA -0.706 61.130 62.100 -0.440 0.000 1.055 22 T CB 1.098 69.856 68.868 -0.184 0.000 1.261 22 T HN 0.753 nan 8.240 nan 0.000 0.485 23 E N 1.600 121.602 120.200 -0.330 0.000 2.476 23 E HA 0.134 4.484 4.350 0.000 0.000 0.196 23 E C 0.538 177.056 176.600 -0.137 0.000 1.029 23 E CA 0.098 56.357 56.400 -0.235 0.000 0.896 23 E CB 0.521 30.154 29.700 -0.113 0.000 1.012 23 E HN 0.703 nan 8.360 nan 0.000 0.475 24 T N -1.772 112.710 114.554 -0.120 0.000 3.339 24 T HA 0.196 4.546 4.350 0.000 0.000 0.292 24 T C -0.344 174.316 174.700 -0.067 0.000 1.012 24 T CA -0.567 61.487 62.100 -0.076 0.000 0.937 24 T CB 0.184 69.020 68.868 -0.052 0.000 1.164 24 T HN -0.135 nan 8.240 nan 0.000 0.509 25 D N 0.134 120.484 120.400 -0.083 0.000 2.362 25 D HA 0.226 4.866 4.640 0.000 0.000 0.232 25 D C 0.759 177.022 176.300 -0.061 0.000 1.329 25 D CA -0.298 53.665 54.000 -0.062 0.000 0.944 25 D CB 1.167 41.934 40.800 -0.055 0.000 1.471 25 D HN -0.063 nan 8.370 nan 0.000 0.533 26 T N 0.291 114.820 114.554 -0.042 0.000 3.077 26 T HA -0.094 4.256 4.350 0.000 0.000 0.269 26 T C 1.786 176.474 174.700 -0.020 0.000 1.146 26 T CA 1.569 63.654 62.100 -0.025 0.000 1.091 26 T CB 0.028 68.892 68.868 -0.008 0.000 0.892 26 T HN 0.468 nan 8.240 nan 0.000 0.533 27 S N 0.035 115.720 115.700 -0.026 0.000 2.470 27 S HA 0.033 4.504 4.470 0.000 0.000 0.225 27 S C 1.936 176.522 174.600 -0.023 0.000 1.006 27 S CA 0.198 58.385 58.200 -0.022 0.000 0.934 27 S CB -0.218 62.969 63.200 -0.021 0.000 0.778 27 S HN 0.340 nan 8.310 nan 0.000 0.517 28 V N 0.623 120.518 119.914 -0.032 0.000 2.521 28 V HA 0.266 4.386 4.120 0.000 0.000 0.239 28 V C 0.589 176.662 176.094 -0.035 0.000 1.053 28 V CA 0.487 62.767 62.300 -0.033 0.000 1.073 28 V CB 0.095 31.891 31.823 -0.045 0.000 0.746 28 V HN 0.396 nan 8.190 nan 0.000 0.476 29 V N 1.744 121.623 119.914 -0.058 0.000 2.325 29 V HA 0.300 4.420 4.120 0.000 0.000 0.280 29 V C -1.860 174.228 176.094 -0.011 0.000 1.016 29 V CA -0.949 61.324 62.300 -0.046 0.000 0.818 29 V CB 1.302 33.038 31.823 -0.145 0.000 1.019 29 V HN 0.297 nan 8.190 nan 0.000 0.434 30 P HA -0.093 nan 4.420 nan 0.000 0.218 30 P C 0.168 177.585 177.300 0.196 0.000 1.148 30 P CA 1.309 64.465 63.100 0.094 0.000 0.822 30 P CB 0.173 31.932 31.700 0.098 0.000 0.784 31 F N 0.376 120.354 119.950 0.048 0.000 2.769 31 F HA 0.386 4.913 4.527 0.000 0.000 0.358 31 F C -2.650 173.285 175.800 0.224 0.000 1.285 31 F CA -2.916 55.156 58.000 0.119 0.000 1.199 31 F CB 0.889 39.966 39.000 0.128 0.000 1.558 31 F HN -0.192 nan 8.300 nan 0.000 0.583 32 P HA 0.088 nan 4.420 nan 0.000 0.274 32 P C 0.979 178.292 177.300 0.022 0.000 1.256 32 P CA -0.122 63.020 63.100 0.070 0.000 0.795 32 P CB 1.737 33.360 31.700 -0.129 0.000 1.038 33 V N 0.643 120.679 119.914 0.204 0.000 2.720 33 V HA -0.214 3.906 4.120 0.000 0.000 0.256 33 V C 2.611 178.683 176.094 -0.036 0.000 1.082 33 V CA 2.529 64.832 62.300 0.005 0.000 1.101 33 V CB -1.742 30.064 31.823 -0.029 0.000 0.693 33 V HN 0.728 nan 8.190 nan 0.000 0.479 34 S N 0.787 116.476 115.700 -0.018 0.000 2.442 34 S HA -0.194 4.276 4.470 0.000 0.000 0.236 34 S C 1.620 176.168 174.600 -0.087 0.000 1.007 34 S CA 1.467 59.647 58.200 -0.033 0.000 0.965 34 S CB -0.621 62.565 63.200 -0.024 0.000 0.773 34 S HN 0.597 nan 8.310 nan 0.000 0.504 35 N N 1.414 119.981 118.700 -0.221 0.000 2.512 35 N HA 0.190 4.930 4.740 0.000 0.000 0.183 35 N C 0.016 175.477 175.510 -0.081 0.000 1.073 35 N CA 0.482 53.371 53.050 -0.268 0.000 0.911 35 N CB -0.379 37.649 38.487 -0.764 0.000 0.964 35 N HN 0.560 nan 8.380 nan 0.000 0.447 36 I N 1.658 122.214 120.570 -0.023 0.000 2.269 36 I HA 0.056 4.226 4.170 0.000 0.000 0.293 36 I C 0.645 176.806 176.117 0.072 0.000 1.106 36 I CA -0.442 60.919 61.300 0.102 0.000 1.248 36 I CB 0.111 38.192 38.000 0.134 0.000 1.444 36 I HN -0.022 nan 8.210 nan 0.000 0.497 37 T N 3.430 118.020 114.554 0.059 0.000 2.788 37 T HA 0.255 4.605 4.350 0.000 0.000 0.287 37 T C -1.411 173.281 174.700 -0.014 0.000 1.007 37 T CA -1.561 60.544 62.100 0.010 0.000 1.005 37 T CB 0.917 69.781 68.868 -0.007 0.000 1.012 37 T HN 0.278 nan 8.240 nan 0.000 0.530 38 P HA -0.081 nan 4.420 nan 0.000 0.218 38 P C 1.544 178.793 177.300 -0.087 0.000 1.148 38 P CA 1.396 64.308 63.100 -0.313 0.000 0.822 38 P CB -0.412 30.791 31.700 -0.828 0.000 0.784 39 A N 0.763 123.550 122.820 -0.056 0.000 1.877 39 A HA -0.184 4.136 4.320 0.000 0.000 0.216 39 A C 2.260 179.868 177.584 0.040 0.000 1.186 39 A CA 1.735 53.768 52.037 -0.005 0.000 0.620 39 A CB -0.985 18.012 19.000 -0.004 0.000 0.822 39 A HN 0.151 nan 8.150 nan 0.000 0.443 40 K N -0.339 120.100 120.400 0.065 0.000 2.057 40 K HA 0.016 4.336 4.320 0.000 0.000 0.206 40 K C 2.290 178.968 176.600 0.130 0.000 1.050 40 K CA 0.991 57.347 56.287 0.114 0.000 0.935 40 K CB -0.322 32.270 32.500 0.154 0.000 0.715 40 K HN 0.413 nan 8.250 nan 0.000 0.439 41 A N 2.140 125.034 122.820 0.122 0.000 1.978 41 A HA -0.200 4.121 4.320 0.000 0.000 0.220 41 A C 1.749 179.403 177.584 0.117 0.000 1.170 41 A CA 1.525 53.644 52.037 0.135 0.000 0.636 41 A CB -0.294 18.813 19.000 0.178 0.000 0.810 41 A HN 0.232 nan 8.150 nan 0.000 0.448 42 K N -0.624 119.836 120.400 0.099 0.000 2.366 42 K HA -0.049 4.271 4.320 0.000 0.000 0.198 42 K C 1.668 178.321 176.600 0.087 0.000 1.044 42 K CA 1.032 57.370 56.287 0.085 0.000 0.973 42 K CB -0.037 32.501 32.500 0.065 0.000 0.767 42 K HN 0.604 nan 8.250 nan 0.000 0.475 43 Q N 0.292 120.152 119.800 0.100 0.000 2.392 43 Q HA 0.147 4.487 4.340 0.000 0.000 0.203 43 Q C 0.024 176.115 176.000 0.152 0.000 0.917 43 Q CA 0.131 56.000 55.803 0.110 0.000 0.939 43 Q CB 0.334 29.130 28.738 0.097 0.000 1.063 43 Q HN 0.197 nan 8.270 nan 0.000 0.516 44 L N -0.283 121.032 121.223 0.154 0.000 2.344 44 L HA 0.263 4.603 4.340 0.000 0.000 0.272 44 L C 1.152 178.094 176.870 0.120 0.000 1.035 44 L CA -0.223 54.718 54.840 0.167 0.000 0.807 44 L CB 1.615 43.774 42.059 0.166 0.000 1.237 44 L HN 0.047 nan 8.230 nan 0.000 0.442 45 T N -3.600 111.034 114.554 0.133 0.000 2.978 45 T HA 0.237 4.587 4.350 0.000 0.000 0.248 45 T C 0.208 174.844 174.700 -0.107 0.000 1.018 45 T CA 0.127 62.262 62.100 0.059 0.000 1.026 45 T CB 0.079 69.045 68.868 0.164 0.000 1.032 45 T HN 0.534 nan 8.240 nan 0.000 0.485 46 H N -0.516 118.561 119.070 0.012 0.000 2.974 46 H HA 0.675 5.231 4.556 0.000 0.000 0.366 46 H C -1.405 173.897 175.328 -0.045 0.000 1.155 46 H CA -0.826 55.217 56.048 -0.008 0.000 1.186 46 H CB 1.644 31.378 29.762 -0.047 0.000 1.799 46 H HN 0.151 nan 8.280 nan 0.000 0.541 47 I N 2.287 122.912 120.570 0.093 0.000 2.436 47 I HA 0.249 4.419 4.170 0.000 0.000 0.289 47 I C -0.587 175.543 176.117 0.022 0.000 1.010 47 I CA -0.826 60.497 61.300 0.038 0.000 1.098 47 I CB 1.369 39.429 38.000 0.100 0.000 1.266 47 I HN 0.497 nan 8.210 nan 0.000 0.434 48 N N 6.395 125.003 118.700 -0.154 0.000 2.485 48 N HA 0.227 4.968 4.740 0.000 0.000 0.243 48 N C -0.732 174.752 175.510 -0.045 0.000 0.987 48 N CA -0.305 52.607 53.050 -0.230 0.000 0.940 48 N CB 0.848 38.852 38.487 -0.805 0.000 1.122 48 N HN 0.379 nan 8.380 nan 0.000 0.509 49 F N 2.523 122.481 119.950 0.013 0.000 2.495 49 F HA 0.284 4.811 4.527 0.000 0.000 0.365 49 F C 0.431 176.242 175.800 0.018 0.000 1.090 49 F CA -0.331 57.745 58.000 0.127 0.000 1.235 49 F CB 0.427 39.579 39.000 0.254 0.000 1.119 49 F HN 0.360 nan 8.300 nan 0.000 0.562 50 S N 5.179 120.432 115.700 -0.745 0.000 2.549 50 S HA 0.766 5.236 4.470 0.000 0.000 0.280 50 S C -1.328 172.929 174.600 -0.572 0.000 1.109 50 S CA -0.791 56.985 58.200 -0.706 0.000 0.905 50 S CB 1.577 64.074 63.200 -1.172 0.000 1.081 50 S HN 0.471 nan 8.310 nan 0.000 0.477 51 F N 0.618 120.642 119.950 0.124 0.000 2.563 51 F HA 0.704 5.232 4.527 0.000 0.000 0.316 51 F C -0.274 175.668 175.800 0.236 0.000 1.076 51 F CA -0.916 57.223 58.000 0.231 0.000 0.921 51 F CB 1.495 40.706 39.000 0.352 0.000 1.209 51 F HN 0.489 nan 8.300 nan 0.000 0.462 52 L N 1.070 122.515 121.223 0.370 0.000 2.440 52 L HA 0.556 4.896 4.340 0.000 0.000 0.262 52 L C -0.328 176.660 176.870 0.198 0.000 1.072 52 L CA -0.096 54.808 54.840 0.108 0.000 0.798 52 L CB 0.949 42.907 42.059 -0.168 0.000 1.307 52 L HN 0.614 nan 8.230 nan 0.000 0.475 53 D N -1.497 118.882 120.400 -0.034 0.000 2.798 53 D HA 0.545 5.186 4.640 0.000 0.000 0.308 53 D C -1.478 174.714 176.300 -0.180 0.000 1.187 53 D CA -0.347 53.556 54.000 -0.162 0.000 1.033 53 D CB 1.339 41.756 40.800 -0.638 0.000 1.445 53 D HN 0.242 nan 8.370 nan 0.000 0.550 54 I N 2.056 122.413 120.570 -0.355 0.000 2.418 54 I HA 0.314 4.484 4.170 0.000 0.000 0.287 54 I C -0.136 175.801 176.117 -0.301 0.000 1.008 54 I CA -0.932 60.128 61.300 -0.399 0.000 1.104 54 I CB 1.478 38.956 38.000 -0.870 0.000 1.264 54 I HN 0.330 nan 8.210 nan 0.000 0.438 55 N N 3.298 121.891 118.700 -0.178 0.000 2.364 55 N HA 0.092 4.833 4.740 0.000 0.000 0.264 55 N C 0.874 176.306 175.510 -0.130 0.000 1.263 55 N CA -0.523 52.449 53.050 -0.129 0.000 0.959 55 N CB 0.343 38.792 38.487 -0.062 0.000 1.204 55 N HN 0.535 nan 8.380 nan 0.000 0.550 56 S N -1.799 113.846 115.700 -0.092 0.000 2.555 56 S HA -0.028 4.442 4.470 0.000 0.000 0.230 56 S C 0.546 175.104 174.600 -0.071 0.000 0.978 56 S CA 0.121 58.270 58.200 -0.086 0.000 0.934 56 S CB -0.612 62.552 63.200 -0.060 0.000 0.766 56 S HN 0.560 nan 8.310 nan 0.000 0.533 57 N N 1.605 120.270 118.700 -0.057 0.000 2.322 57 N HA 0.267 5.007 4.740 0.000 0.000 0.194 57 N C 0.153 175.638 175.510 -0.042 0.000 1.126 57 N CA 0.234 53.261 53.050 -0.038 0.000 0.845 57 N CB -0.099 38.378 38.487 -0.016 0.000 0.976 57 N HN 0.442 nan 8.380 nan 0.000 0.475 58 L N 0.188 121.361 121.223 -0.084 0.000 3.717 58 L HA -0.250 4.090 4.340 0.000 0.000 0.411 58 L C -0.642 176.231 176.870 0.004 0.000 1.233 58 L CA 0.923 55.697 54.840 -0.110 0.000 0.917 58 L CB -1.974 40.021 42.059 -0.107 0.000 1.902 58 L HN 0.180 nan 8.230 nan 0.000 0.894 59 E N -0.601 119.615 120.200 0.027 0.000 2.312 59 E HA 0.392 4.742 4.350 0.000 0.000 0.267 59 E C -0.359 176.301 176.600 0.101 0.000 0.894 59 E CA -0.844 55.628 56.400 0.120 0.000 0.773 59 E CB 2.685 32.421 29.700 0.059 0.000 1.241 59 E HN 0.276 nan 8.360 nan 0.000 0.432 60 C N 2.248 121.644 119.300 0.159 0.000 2.642 60 C HA 0.570 5.030 4.460 0.000 0.000 0.420 60 C C 0.108 175.107 174.990 0.014 0.000 1.349 60 C CA 0.259 59.339 59.018 0.105 0.000 1.821 60 C CB -1.615 26.172 27.740 0.078 0.000 2.637 60 C HN 0.679 nan 8.230 nan 0.000 0.605 61 A N 5.073 127.872 122.820 -0.035 0.000 2.601 61 A HA 0.694 5.015 4.320 0.000 0.000 0.291 61 A C -1.534 176.021 177.584 -0.047 0.000 1.075 61 A CA -0.680 51.355 52.037 -0.004 0.000 0.671 61 A CB 0.222 19.250 19.000 0.047 0.000 1.277 61 A HN 0.908 nan 8.150 nan 0.000 0.417 62 W N 0.989 122.274 121.300 -0.025 0.000 2.215 62 W HA 0.389 5.050 4.660 0.000 0.000 0.342 62 W C 0.712 177.244 176.519 0.022 0.000 1.237 62 W CA 0.615 57.967 57.345 0.012 0.000 1.283 62 W CB 0.501 29.955 29.460 -0.010 0.000 1.131 62 W HN 0.701 nan 8.180 nan 0.000 0.606 63 D N 2.457 123.053 120.400 0.326 0.000 2.525 63 D HA -0.065 4.575 4.640 0.000 0.000 0.235 63 D C -1.332 175.094 176.300 0.210 0.000 1.137 63 D CA -0.596 53.541 54.000 0.228 0.000 0.868 63 D CB 1.374 42.377 40.800 0.338 0.000 1.180 63 D HN 0.038 nan 8.370 nan 0.000 0.465 64 P HA -0.065 nan 4.420 nan 0.000 0.221 64 P C 0.615 177.975 177.300 0.101 0.000 1.145 64 P CA 0.992 64.156 63.100 0.107 0.000 0.795 64 P CB 0.139 31.883 31.700 0.074 0.000 0.775 65 A N -1.379 121.513 122.820 0.120 0.000 2.235 65 A HA 0.050 4.371 4.320 0.000 0.000 0.208 65 A C 0.888 178.528 177.584 0.092 0.000 1.172 65 A CA 0.553 52.651 52.037 0.100 0.000 0.786 65 A CB -1.211 17.856 19.000 0.112 0.000 0.804 65 A HN 0.122 nan 8.150 nan 0.000 0.479 66 T N 1.843 116.464 114.554 0.111 0.000 2.870 66 T HA 0.098 4.448 4.350 0.000 0.000 0.300 66 T C 0.223 174.909 174.700 -0.023 0.000 0.989 66 T CA -0.373 61.767 62.100 0.066 0.000 1.139 66 T CB 0.391 69.317 68.868 0.097 0.000 0.920 66 T HN 0.390 nan 8.240 nan 0.000 0.537 67 N N 2.498 121.171 118.700 -0.044 0.000 2.401 67 N HA 0.002 4.742 4.740 0.000 0.000 0.255 67 N C 0.718 176.135 175.510 -0.155 0.000 1.110 67 N CA -0.160 52.850 53.050 -0.067 0.000 0.949 67 N CB 1.143 39.608 38.487 -0.036 0.000 1.110 67 N HN 0.607 nan 8.380 nan 0.000 0.490 68 D N 3.723 124.023 120.400 -0.168 0.000 2.149 68 D HA -0.125 4.515 4.640 0.000 0.000 0.198 68 D C 1.637 177.817 176.300 -0.201 0.000 0.990 68 D CA 1.758 55.614 54.000 -0.239 0.000 0.839 68 D CB 0.260 40.975 40.800 -0.141 0.000 0.948 68 D HN 0.670 nan 8.370 nan 0.000 0.460 69 A N 0.323 123.063 122.820 -0.133 0.000 1.902 69 A HA -0.160 4.161 4.320 0.000 0.000 0.217 69 A C 2.093 179.603 177.584 -0.123 0.000 1.181 69 A CA 1.238 53.208 52.037 -0.111 0.000 0.623 69 A CB -0.340 18.615 19.000 -0.076 0.000 0.818 69 A HN 0.069 nan 8.150 nan 0.000 0.443 70 K N -0.038 120.292 120.400 -0.116 0.000 2.097 70 K HA 0.004 4.324 4.320 0.000 0.000 0.205 70 K C 2.233 178.726 176.600 -0.177 0.000 1.050 70 K CA 1.223 57.448 56.287 -0.103 0.000 0.938 70 K CB -0.702 31.774 32.500 -0.041 0.000 0.718 70 K HN 0.449 nan 8.250 nan 0.000 0.442 71 A N 1.735 124.388 122.820 -0.279 0.000 1.898 71 A HA -0.157 4.163 4.320 0.000 0.000 0.216 71 A C 2.236 179.623 177.584 -0.328 0.000 1.181 71 A CA 1.226 52.993 52.037 -0.450 0.000 0.620 71 A CB -0.367 17.946 19.000 -1.146 0.000 0.819 71 A HN 0.243 nan 8.150 nan 0.000 0.442 72 R N -0.634 119.733 120.500 -0.221 0.000 2.096 72 R HA -0.154 4.187 4.340 0.000 0.000 0.235 72 R C 1.977 178.183 176.300 -0.158 0.000 1.127 72 R CA 1.586 57.618 56.100 -0.113 0.000 0.968 72 R CB -0.422 29.812 30.300 -0.110 0.000 0.861 72 R HN 0.707 nan 8.270 nan 0.000 0.440 73 D N 0.105 120.404 120.400 -0.167 0.000 2.117 73 D HA -0.121 4.520 4.640 0.000 0.000 0.197 73 D C 1.740 177.897 176.300 -0.239 0.000 0.987 73 D CA 0.927 54.826 54.000 -0.167 0.000 0.829 73 D CB 0.207 40.928 40.800 -0.131 0.000 0.961 73 D HN -0.067 nan 8.370 nan 0.000 0.460 74 V N -0.104 119.624 119.914 -0.311 0.000 2.343 74 V HA -0.202 3.918 4.120 0.000 0.000 0.247 74 V C 2.578 178.522 176.094 -0.250 0.000 1.051 74 V CA 1.307 63.385 62.300 -0.370 0.000 1.036 74 V CB -0.347 31.294 31.823 -0.302 0.000 0.654 74 V HN 0.186 nan 8.190 nan 0.000 0.451 75 V N 0.660 120.418 119.914 -0.260 0.000 2.407 75 V HA -0.235 3.885 4.120 0.000 0.000 0.248 75 V C 2.334 178.290 176.094 -0.231 0.000 1.055 75 V CA 2.001 64.120 62.300 -0.301 0.000 1.049 75 V CB -0.904 30.686 31.823 -0.389 0.000 0.662 75 V HN 0.566 nan 8.190 nan 0.000 0.455 76 N N 0.514 119.096 118.700 -0.198 0.000 2.104 76 N HA -0.159 4.581 4.740 0.000 0.000 0.190 76 N C 1.968 177.401 175.510 -0.129 0.000 1.024 76 N CA 1.386 54.342 53.050 -0.156 0.000 0.853 76 N CB -0.367 38.040 38.487 -0.133 0.000 1.008 76 N HN 0.490 nan 8.380 nan 0.000 0.424 77 R N 0.362 120.782 120.500 -0.134 0.000 2.120 77 R HA 0.031 4.371 4.340 0.000 0.000 0.234 77 R C 2.190 178.434 176.300 -0.093 0.000 1.123 77 R CA 0.678 56.719 56.100 -0.098 0.000 0.975 77 R CB -0.227 30.016 30.300 -0.096 0.000 0.866 77 R HN 0.224 nan 8.270 nan 0.000 0.446 78 L N -0.143 121.010 121.223 -0.116 0.000 2.044 78 L HA -0.112 4.228 4.340 0.000 0.000 0.205 78 L C 2.590 179.425 176.870 -0.057 0.000 1.075 78 L CA 1.589 56.377 54.840 -0.087 0.000 0.747 78 L CB -0.678 41.341 42.059 -0.067 0.000 0.903 78 L HN 0.336 nan 8.230 nan 0.000 0.435 79 T N -2.692 111.814 114.554 -0.080 0.000 2.962 79 T HA -0.050 4.301 4.350 0.000 0.000 0.270 79 T C 1.856 176.510 174.700 -0.076 0.000 1.088 79 T CA 0.759 62.819 62.100 -0.067 0.000 1.127 79 T CB -0.268 68.543 68.868 -0.094 0.000 0.883 79 T HN 0.281 nan 8.240 nan 0.000 0.493 80 A N 1.661 124.428 122.820 -0.088 0.000 2.019 80 A HA 0.178 4.498 4.320 0.000 0.000 0.219 80 A C 2.316 179.810 177.584 -0.150 0.000 1.164 80 A CA 0.980 52.954 52.037 -0.106 0.000 0.644 80 A CB -0.890 18.058 19.000 -0.087 0.000 0.805 80 A HN 0.582 nan 8.150 nan 0.000 0.449 81 L N -0.860 120.306 121.223 -0.095 0.000 2.265 81 L HA -0.178 4.163 4.340 0.000 0.000 0.215 81 L C 2.185 178.990 176.870 -0.108 0.000 1.117 81 L CA 1.270 56.067 54.840 -0.072 0.000 0.782 81 L CB -0.399 41.680 42.059 0.033 0.000 0.914 81 L HN 0.349 nan 8.230 nan 0.000 0.441 82 K N 0.239 120.584 120.400 -0.092 0.000 2.442 82 K HA -0.129 4.191 4.320 0.000 0.000 0.199 82 K C 2.186 178.718 176.600 -0.114 0.000 1.044 82 K CA 0.924 57.169 56.287 -0.071 0.000 0.941 82 K CB -0.198 32.271 32.500 -0.052 0.000 0.759 82 K HN 0.318 nan 8.250 nan 0.000 0.472 83 A N 0.877 123.557 122.820 -0.233 0.000 1.902 83 A HA -0.195 4.126 4.320 0.000 0.000 0.217 83 A C 1.489 178.949 177.584 -0.207 0.000 1.181 83 A CA 1.448 53.320 52.037 -0.276 0.000 0.623 83 A CB -0.603 18.129 19.000 -0.448 0.000 0.818 83 A HN 0.434 nan 8.150 nan 0.000 0.443 84 H N -2.353 116.720 119.070 0.004 0.000 2.544 84 H HA 0.131 4.687 4.556 0.000 0.000 0.269 84 H C 0.174 175.510 175.328 0.012 0.000 0.970 84 H CA 0.505 56.559 56.048 0.010 0.000 1.219 84 H CB 0.290 30.061 29.762 0.015 0.000 1.421 84 H HN 0.427 nan 8.280 nan 0.000 0.555 85 N N 0.319 119.071 118.700 0.086 0.000 2.621 85 N HA 0.051 4.791 4.740 0.000 0.000 0.271 85 N C -2.332 173.187 175.510 0.015 0.000 1.181 85 N CA -2.035 51.050 53.050 0.058 0.000 0.805 85 N CB 1.372 39.901 38.487 0.070 0.000 1.351 85 N HN -0.093 nan 8.380 nan 0.000 0.539 86 P HA -0.062 nan 4.420 nan 0.000 0.228 86 P C 0.435 177.723 177.300 -0.020 0.000 1.151 86 P CA 0.880 63.974 63.100 -0.011 0.000 0.770 86 P CB 0.274 31.969 31.700 -0.007 0.000 0.786 87 S N -1.854 113.837 115.700 -0.016 0.000 2.539 87 S HA 0.162 4.632 4.470 0.000 0.000 0.221 87 S C 0.606 175.167 174.600 -0.065 0.000 0.987 87 S CA -0.579 57.601 58.200 -0.034 0.000 0.929 87 S CB -0.783 62.406 63.200 -0.018 0.000 0.832 87 S HN -0.011 nan 8.310 nan 0.000 0.492 88 L N 3.331 124.527 121.223 -0.045 0.000 2.455 88 L HA 0.378 4.719 4.340 0.000 0.000 0.272 88 L C -0.004 176.821 176.870 -0.075 0.000 1.174 88 L CA 0.187 54.992 54.840 -0.058 0.000 0.869 88 L CB 0.204 42.261 42.059 -0.004 0.000 1.130 88 L HN 0.145 nan 8.230 nan 0.000 0.474 89 R N 5.830 126.245 120.500 -0.141 0.000 2.393 89 R HA 0.526 4.866 4.340 0.000 0.000 0.310 89 R C -1.019 175.312 176.300 0.053 0.000 0.968 89 R CA -0.907 55.155 56.100 -0.065 0.000 0.867 89 R CB 1.440 31.644 30.300 -0.159 0.000 1.124 89 R HN 0.522 nan 8.270 nan 0.000 0.450 90 I N 5.040 125.698 120.570 0.148 0.000 2.306 90 I HA 0.243 4.413 4.170 0.000 0.000 0.288 90 I C 0.238 176.578 176.117 0.373 0.000 1.036 90 I CA -0.254 61.192 61.300 0.244 0.000 1.221 90 I CB 0.830 38.981 38.000 0.251 0.000 1.385 90 I HN 0.503 nan 8.210 nan 0.000 0.472 91 M N 6.445 126.194 119.600 0.249 0.000 2.368 91 M HA 0.484 4.964 4.480 0.000 0.000 0.311 91 M C -0.321 175.973 176.300 -0.010 0.000 1.168 91 M CA -0.493 54.883 55.300 0.125 0.000 1.044 91 M CB 1.381 33.998 32.600 0.027 0.000 1.506 91 M HN 0.353 nan 8.290 nan 0.000 0.475 92 F N -1.219 118.481 119.950 -0.418 0.000 2.546 92 F HA 0.776 5.303 4.527 0.000 0.000 0.320 92 F C -0.547 175.135 175.800 -0.197 0.000 1.076 92 F CA -0.988 56.692 58.000 -0.533 0.000 0.928 92 F CB 0.993 39.245 39.000 -1.247 0.000 1.189 92 F HN 0.392 nan 8.300 nan 0.000 0.465 93 S N 3.057 118.772 115.700 0.025 0.000 2.454 93 S HA 0.673 5.144 4.470 0.000 0.000 0.306 93 S C -0.526 174.295 174.600 0.369 0.000 1.100 93 S CA -0.601 57.687 58.200 0.146 0.000 1.087 93 S CB 1.058 64.454 63.200 0.326 0.000 1.019 93 S HN 0.558 nan 8.310 nan 0.000 0.480 94 I N 2.947 123.710 120.570 0.322 0.000 2.354 94 I HA 0.641 4.811 4.170 0.000 0.000 0.292 94 I C 0.957 177.316 176.117 0.404 0.000 0.989 94 I CA 0.014 61.543 61.300 0.382 0.000 1.188 94 I CB 1.076 39.265 38.000 0.315 0.000 1.342 94 I HN 0.916 nan 8.210 nan 0.000 0.457 95 G N 4.279 113.309 108.800 0.383 0.000 2.893 95 G HA2 0.286 4.246 3.960 0.000 0.000 0.222 95 G HA3 0.286 4.246 3.960 0.000 0.000 0.222 95 G C 0.114 174.697 174.900 -0.528 0.000 1.345 95 G CA 0.042 45.194 45.100 0.086 0.000 1.129 95 G HN 1.575 nan 8.290 nan 0.000 0.560 96 G N -1.903 106.423 108.800 -0.790 0.000 2.707 96 G HA2 0.063 4.024 3.960 0.000 0.000 0.686 96 G HA3 0.063 4.024 3.960 0.000 0.000 0.686 96 G C 0.719 175.206 174.900 -0.689 0.000 1.315 96 G CA 0.504 44.840 45.100 -1.272 0.000 0.832 96 G HN 1.904 nan 8.290 nan 0.000 0.573 97 W N 0.210 121.091 121.300 -0.699 0.000 2.335 97 W HA -0.189 4.471 4.660 0.000 0.000 0.311 97 W C 2.093 178.375 176.519 -0.395 0.000 1.213 97 W CA 2.634 59.671 57.345 -0.513 0.000 1.274 97 W CB -0.341 28.856 29.460 -0.439 0.000 1.148 97 W HN 0.698 nan 8.180 nan 0.000 0.498 98 Y N 0.577 120.630 120.300 -0.410 0.000 2.081 98 Y HA -0.352 4.199 4.550 0.000 0.000 0.280 98 Y C 2.449 178.111 175.900 -0.398 0.000 1.163 98 Y CA 2.756 60.613 58.100 -0.405 0.000 1.135 98 Y CB -1.318 36.892 38.460 -0.416 0.000 0.970 98 Y HN -0.086 nan 8.280 nan 0.000 0.498 99 Y N -0.673 119.397 120.300 -0.383 0.000 2.263 99 Y HA -0.074 4.477 4.550 0.000 0.000 0.292 99 Y C 2.824 178.355 175.900 -0.615 0.000 1.130 99 Y CA 1.202 59.039 58.100 -0.437 0.000 1.179 99 Y CB -0.980 37.370 38.460 -0.182 0.000 0.998 99 Y HN 0.294 nan 8.280 nan 0.000 0.532 100 S N -0.338 114.973 115.700 -0.647 0.000 2.539 100 S HA 0.089 4.559 4.470 0.000 0.000 0.221 100 S C 0.373 174.568 174.600 -0.675 0.000 0.987 100 S CA -0.390 57.244 58.200 -0.943 0.000 0.929 100 S CB -1.152 61.265 63.200 -1.305 0.000 0.832 100 S HN 0.485 nan 8.310 nan 0.000 0.492 101 N N 1.654 119.810 118.700 -0.907 0.000 2.371 101 N HA 0.083 4.823 4.740 0.000 0.000 0.243 101 N C 0.230 175.262 175.510 -0.798 0.000 1.287 101 N CA 0.060 52.428 53.050 -1.137 0.000 0.911 101 N CB 0.174 37.254 38.487 -2.346 0.000 1.142 101 N HN -0.179 nan 8.380 nan 0.000 0.451 102 D N 0.130 120.087 120.400 -0.739 0.000 2.172 102 D HA -0.153 4.487 4.640 0.000 0.000 0.196 102 D C 1.011 176.897 176.300 -0.690 0.000 0.999 102 D CA 1.447 54.919 54.000 -0.881 0.000 0.856 102 D CB -0.125 40.411 40.800 -0.440 0.000 0.934 102 D HN 0.538 nan 8.370 nan 0.000 0.453 103 L N -0.180 120.755 121.223 -0.481 0.000 2.741 103 L HA 0.308 4.648 4.340 0.000 0.000 0.237 103 L C 1.213 177.883 176.870 -0.333 0.000 1.178 103 L CA -0.540 54.111 54.840 -0.316 0.000 0.973 103 L CB 0.384 42.322 42.059 -0.201 0.000 1.255 103 L HN -0.114 nan 8.230 nan 0.000 0.498 104 G N -0.093 108.444 108.800 -0.438 0.000 2.539 104 G HA2 0.294 4.254 3.960 0.000 0.000 0.258 104 G HA3 0.294 4.254 3.960 0.000 0.000 0.258 104 G C 1.232 175.947 174.900 -0.310 0.000 1.202 104 G CA -0.030 44.796 45.100 -0.457 0.000 0.851 104 G HN 0.016 nan 8.290 nan 0.000 0.556 105 V N -0.738 118.964 119.914 -0.354 0.000 2.392 105 V HA -0.114 4.006 4.120 0.000 0.000 0.249 105 V C 1.882 177.902 176.094 -0.123 0.000 1.059 105 V CA 2.306 64.481 62.300 -0.207 0.000 1.051 105 V CB -0.539 31.166 31.823 -0.197 0.000 0.658 105 V HN 0.451 nan 8.190 nan 0.000 0.455 106 S N -1.162 114.470 115.700 -0.112 0.000 2.568 106 S HA 0.194 4.664 4.470 0.000 0.000 0.232 106 S C 1.468 176.059 174.600 -0.015 0.000 0.975 106 S CA 0.127 58.295 58.200 -0.054 0.000 0.949 106 S CB -0.580 62.607 63.200 -0.022 0.000 0.829 106 S HN 0.805 nan 8.310 nan 0.000 0.479 107 H N 2.386 121.332 119.070 -0.207 0.000 2.353 107 H HA -0.120 4.437 4.556 0.000 0.000 0.298 107 H C 2.125 177.355 175.328 -0.164 0.000 1.103 107 H CA 1.746 57.634 56.048 -0.266 0.000 1.293 107 H CB -0.097 29.494 29.762 -0.284 0.000 1.372 107 H HN 0.470 nan 8.280 nan 0.000 0.501 108 A N 1.174 123.916 122.820 -0.130 0.000 1.978 108 A HA -0.202 4.118 4.320 0.000 0.000 0.220 108 A C 2.182 179.617 177.584 -0.247 0.000 1.170 108 A CA 1.556 53.489 52.037 -0.172 0.000 0.636 108 A CB -0.325 18.631 19.000 -0.072 0.000 0.810 108 A HN 0.545 nan 8.150 nan 0.000 0.448 109 N N -1.042 117.516 118.700 -0.235 0.000 2.244 109 N HA -0.126 4.614 4.740 0.000 0.000 0.183 109 N C 1.382 176.562 175.510 -0.550 0.000 1.016 109 N CA 1.456 54.306 53.050 -0.333 0.000 0.866 109 N CB -0.572 37.715 38.487 -0.332 0.000 0.980 109 N HN 0.637 nan 8.380 nan 0.000 0.430 110 Y N 1.080 120.926 120.300 -0.756 0.000 2.163 110 Y HA -0.042 4.508 4.550 0.000 0.000 0.288 110 Y C 2.525 177.849 175.900 -0.960 0.000 1.136 110 Y CA 0.471 57.894 58.100 -1.129 0.000 1.147 110 Y CB -0.815 36.487 38.460 -1.930 0.000 0.987 110 Y HN -0.196 nan 8.280 nan 0.000 0.509 111 V N 0.471 120.023 119.914 -0.603 0.000 2.295 111 V HA -0.328 3.792 4.120 0.000 0.000 0.246 111 V C 1.584 177.591 176.094 -0.143 0.000 1.049 111 V CA 2.407 64.575 62.300 -0.220 0.000 1.024 111 V CB -0.753 30.956 31.823 -0.191 0.000 0.648 111 V HN 0.463 nan 8.190 nan 0.000 0.447 112 N N 0.069 118.647 118.700 -0.203 0.000 2.354 112 N HA 0.000 4.741 4.740 0.000 0.000 0.179 112 N C 1.794 177.208 175.510 -0.159 0.000 1.021 112 N CA 0.977 53.942 53.050 -0.142 0.000 0.887 112 N CB -0.302 38.105 38.487 -0.133 0.000 0.974 112 N HN 0.459 nan 8.380 nan 0.000 0.437 113 A N 0.603 123.255 122.820 -0.280 0.000 2.019 113 A HA -0.074 4.247 4.320 0.000 0.000 0.219 113 A C 1.992 179.473 177.584 -0.172 0.000 1.164 113 A CA 1.353 53.208 52.037 -0.303 0.000 0.644 113 A CB -0.500 18.104 19.000 -0.660 0.000 0.805 113 A HN 0.250 nan 8.150 nan 0.000 0.449 114 V N -3.993 115.863 119.914 -0.098 0.000 3.621 114 V HA 0.206 4.327 4.120 0.000 0.000 0.285 114 V C 1.497 177.631 176.094 0.066 0.000 1.346 114 V CA 0.770 63.099 62.300 0.047 0.000 1.104 114 V CB -0.317 31.631 31.823 0.209 0.000 0.913 114 V HN 0.372 nan 8.190 nan 0.000 0.432 115 K N 1.772 122.188 120.400 0.026 0.000 2.057 115 K HA -0.016 4.304 4.320 0.000 0.000 0.207 115 K C 1.153 177.774 176.600 0.034 0.000 1.049 115 K CA 1.848 58.155 56.287 0.032 0.000 0.931 115 K CB -0.074 32.432 32.500 0.010 0.000 0.714 115 K HN 0.800 nan 8.250 nan 0.000 0.440 116 T N -3.899 110.672 114.554 0.029 0.000 2.887 116 T HA 0.271 4.622 4.350 0.000 0.000 0.292 116 T C -2.501 172.221 174.700 0.036 0.000 1.087 116 T CA -1.990 60.127 62.100 0.029 0.000 1.009 116 T CB 1.916 70.796 68.868 0.020 0.000 1.203 116 T HN -0.298 nan 8.240 nan 0.000 0.518 117 P HA 0.006 nan 4.420 nan 0.000 0.216 117 P C 1.601 178.922 177.300 0.034 0.000 1.150 117 P CA 1.601 64.721 63.100 0.033 0.000 0.837 117 P CB -0.246 31.469 31.700 0.025 0.000 0.786 118 A N -0.025 122.811 122.820 0.028 0.000 1.898 118 A HA -0.166 4.154 4.320 0.000 0.000 0.216 118 A C 2.375 179.980 177.584 0.035 0.000 1.181 118 A CA 2.231 54.283 52.037 0.026 0.000 0.620 118 A CB -1.584 17.427 19.000 0.018 0.000 0.819 118 A HN 0.326 nan 8.150 nan 0.000 0.442 119 S N -0.105 115.615 115.700 0.033 0.000 2.402 119 S HA -0.147 4.324 4.470 0.000 0.000 0.229 119 S C 1.984 176.638 174.600 0.089 0.000 1.021 119 S CA 1.078 59.302 58.200 0.039 0.000 0.974 119 S CB -0.447 62.757 63.200 0.007 0.000 0.800 119 S HN 0.600 nan 8.310 nan 0.000 0.484 120 R N 1.401 121.957 120.500 0.094 0.000 2.092 120 R HA 0.122 4.462 4.340 0.000 0.000 0.231 120 R C 2.776 179.155 176.300 0.131 0.000 1.119 120 R CA 1.195 57.386 56.100 0.152 0.000 0.970 120 R CB -0.763 29.606 30.300 0.114 0.000 0.864 120 R HN 0.570 nan 8.270 nan 0.000 0.440 121 A N 1.705 124.569 122.820 0.074 0.000 1.877 121 A HA -0.217 4.103 4.320 0.000 0.000 0.216 121 A C 2.098 179.705 177.584 0.038 0.000 1.186 121 A CA 1.539 53.601 52.037 0.041 0.000 0.620 121 A CB -0.388 18.628 19.000 0.026 0.000 0.822 121 A HN 0.229 nan 8.150 nan 0.000 0.443 122 K N -1.522 118.911 120.400 0.056 0.000 2.026 122 K HA -0.185 4.135 4.320 0.000 0.000 0.208 122 K C 1.846 178.491 176.600 0.075 0.000 1.048 122 K CA 1.802 58.121 56.287 0.053 0.000 0.929 122 K CB -0.365 32.168 32.500 0.055 0.000 0.713 122 K HN 0.390 nan 8.250 nan 0.000 0.439 123 F N 1.383 121.317 119.950 -0.026 0.000 2.102 123 F HA -0.101 4.426 4.527 0.000 0.000 0.298 123 F C 2.012 177.804 175.800 -0.013 0.000 1.105 123 F CA 1.453 59.432 58.000 -0.035 0.000 1.239 123 F CB -0.816 38.154 39.000 -0.050 0.000 0.991 123 F HN 0.101 nan 8.300 nan 0.000 0.474 124 A N 0.388 123.055 122.820 -0.256 0.000 1.908 124 A HA -0.231 4.090 4.320 0.000 0.000 0.218 124 A C 2.205 179.646 177.584 -0.239 0.000 1.181 124 A CA 1.798 53.641 52.037 -0.323 0.000 0.627 124 A CB -0.914 18.019 19.000 -0.112 0.000 0.818 124 A HN 0.562 nan 8.150 nan 0.000 0.445 125 Q N 0.124 119.846 119.800 -0.129 0.000 2.096 125 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 125 Q C 2.588 178.531 176.000 -0.095 0.000 0.982 125 Q CA 2.062 57.813 55.803 -0.086 0.000 0.850 125 Q CB -0.547 28.166 28.738 -0.041 0.000 0.901 125 Q HN 0.866 nan 8.270 nan 0.000 0.422 126 S N -0.339 115.294 115.700 -0.111 0.000 2.399 126 S HA -0.140 4.330 4.470 0.000 0.000 0.231 126 S C 2.308 176.850 174.600 -0.097 0.000 1.022 126 S CA 1.261 59.414 58.200 -0.079 0.000 0.983 126 S CB -0.666 62.511 63.200 -0.038 0.000 0.803 126 S HN 0.358 nan 8.310 nan 0.000 0.480 127 C N 1.085 120.260 119.300 -0.208 0.000 2.446 127 C HA 0.070 4.531 4.460 0.000 0.000 0.277 127 C C 2.804 177.823 174.990 0.049 0.000 1.275 127 C CA 0.604 59.583 59.018 -0.065 0.000 1.727 127 C CB -1.369 26.225 27.740 -0.244 0.000 2.010 127 C HN 0.543 nan 8.230 nan 0.000 0.486 128 V N 0.863 120.749 119.914 -0.046 0.000 2.427 128 V HA -0.172 3.948 4.120 0.000 0.000 0.248 128 V C 2.740 178.820 176.094 -0.022 0.000 1.051 128 V CA 1.697 63.969 62.300 -0.045 0.000 1.048 128 V CB -0.780 30.991 31.823 -0.087 0.000 0.666 128 V HN 0.480 nan 8.190 nan 0.000 0.456 129 R N -0.026 120.464 120.500 -0.018 0.000 2.073 129 R HA -0.132 4.208 4.340 0.000 0.000 0.234 129 R C 2.297 178.624 176.300 0.045 0.000 1.134 129 R CA 1.662 57.762 56.100 0.000 0.000 0.952 129 R CB -0.247 30.054 30.300 0.001 0.000 0.850 129 R HN 0.345 nan 8.270 nan 0.000 0.433 130 I N 0.977 121.580 120.570 0.055 0.000 2.226 130 I HA -0.307 3.863 4.170 0.000 0.000 0.245 130 I C 2.565 178.775 176.117 0.156 0.000 1.100 130 I CA 1.165 62.530 61.300 0.107 0.000 1.374 130 I CB -0.797 37.090 38.000 -0.189 0.000 1.057 130 I HN 0.358 nan 8.210 nan 0.000 0.413 131 M N 0.396 120.075 119.600 0.131 0.000 2.080 131 M HA -0.256 4.224 4.480 0.000 0.000 0.260 131 M C 2.199 178.607 176.300 0.180 0.000 1.068 131 M CA 1.851 57.340 55.300 0.316 0.000 1.109 131 M CB -0.103 32.660 32.600 0.271 0.000 1.342 131 M HN 0.022 nan 8.290 nan 0.000 0.405 132 K N -0.007 120.422 120.400 0.048 0.000 2.062 132 K HA -0.135 4.185 4.320 0.000 0.000 0.205 132 K C 1.651 178.227 176.600 -0.040 0.000 1.051 132 K CA 1.532 57.814 56.287 -0.008 0.000 0.941 132 K CB -0.816 31.659 32.500 -0.042 0.000 0.719 132 K HN 0.418 nan 8.250 nan 0.000 0.440 133 D N -0.158 120.211 120.400 -0.052 0.000 2.178 133 D HA -0.161 4.479 4.640 0.000 0.000 0.201 133 D C 1.245 177.289 176.300 -0.427 0.000 0.980 133 D CA 1.248 55.114 54.000 -0.224 0.000 0.842 133 D CB 0.091 40.745 40.800 -0.243 0.000 0.948 133 D HN 0.205 nan 8.370 nan 0.000 0.472 134 Y N -1.285 118.944 120.300 -0.118 0.000 2.449 134 Y HA 0.345 4.895 4.550 0.000 0.000 0.254 134 Y C 1.768 177.395 175.900 -0.456 0.000 1.140 134 Y CA 0.374 58.303 58.100 -0.286 0.000 1.272 134 Y CB 0.903 39.183 38.460 -0.301 0.000 1.114 134 Y HN 0.063 nan 8.280 nan 0.000 0.525 135 G N -0.261 108.421 108.800 -0.196 0.000 2.140 135 G HA2 -0.261 3.700 3.960 0.000 0.000 0.211 135 G HA3 -0.261 3.700 3.960 0.000 0.000 0.211 135 G C -0.171 174.660 174.900 -0.116 0.000 1.013 135 G CA -0.536 44.471 45.100 -0.155 0.000 0.705 135 G HN 0.113 nan 8.290 nan 0.000 0.508 136 F N 0.422 120.458 119.950 0.143 0.000 2.399 136 F HA 0.452 4.980 4.527 0.000 0.000 0.313 136 F C 1.373 177.321 175.800 0.245 0.000 1.202 136 F CA -0.365 57.759 58.000 0.207 0.000 1.192 136 F CB 0.603 39.814 39.000 0.352 0.000 1.256 136 F HN -0.026 nan 8.300 nan 0.000 0.558 137 D N 0.082 120.775 120.400 0.488 0.000 2.398 137 D HA 0.306 4.946 4.640 0.000 0.000 0.210 137 D C 0.646 177.200 176.300 0.424 0.000 1.094 137 D CA 0.465 54.719 54.000 0.424 0.000 0.839 137 D CB 0.756 41.701 40.800 0.242 0.000 0.963 137 D HN 0.636 nan 8.370 nan 0.000 0.506 138 G N -0.431 108.566 108.800 0.329 0.000 2.313 138 G HA2 0.328 4.289 3.960 0.000 0.000 0.296 138 G HA3 0.328 4.289 3.960 0.000 0.000 0.296 138 G C -1.878 172.970 174.900 -0.087 0.000 1.356 138 G CA -0.617 44.583 45.100 0.166 0.000 0.833 138 G HN -0.061 nan 8.290 nan 0.000 0.552 139 V N 0.385 120.157 119.914 -0.238 0.000 2.656 139 V HA 0.677 4.797 4.120 0.000 0.000 0.307 139 V C -1.072 174.810 176.094 -0.354 0.000 1.051 139 V CA -0.502 61.426 62.300 -0.619 0.000 0.893 139 V CB 1.914 33.450 31.823 -0.478 0.000 0.999 139 V HN 0.930 nan 8.190 nan 0.000 0.426 140 D N 3.319 123.481 120.400 -0.396 0.000 2.505 140 D HA 0.629 5.270 4.640 0.000 0.000 0.249 140 D C -0.997 175.295 176.300 -0.013 0.000 1.082 140 D CA -0.267 53.660 54.000 -0.121 0.000 0.839 140 D CB 1.501 42.256 40.800 -0.076 0.000 1.317 140 D HN 0.458 nan 8.370 nan 0.000 0.497 141 I N 2.695 123.337 120.570 0.121 0.000 2.406 141 I HA 0.307 4.478 4.170 0.000 0.000 0.290 141 I C -0.726 175.568 176.117 0.295 0.000 0.999 141 I CA -0.775 60.680 61.300 0.258 0.000 1.124 141 I CB 1.894 40.116 38.000 0.370 0.000 1.289 141 I HN 0.280 nan 8.210 nan 0.000 0.441 142 D N 5.924 126.493 120.400 0.283 0.000 2.634 142 D HA 0.109 4.749 4.640 0.000 0.000 0.318 142 D C -0.954 175.376 176.300 0.050 0.000 1.226 142 D CA -0.186 53.921 54.000 0.178 0.000 0.899 142 D CB 0.474 41.398 40.800 0.205 0.000 1.025 142 D HN 0.313 nan 8.370 nan 0.000 0.501 143 W N 2.038 123.232 121.300 -0.177 0.000 2.331 143 W HA 0.317 4.977 4.660 0.000 0.000 0.306 143 W C -0.418 175.726 176.519 -0.625 0.000 1.162 143 W CA -0.966 56.131 57.345 -0.413 0.000 1.232 143 W CB 0.501 29.763 29.460 -0.331 0.000 1.235 143 W HN 0.084 nan 8.180 nan 0.000 0.479 144 E N 6.657 126.597 120.200 -0.433 0.000 2.546 144 E HA 0.220 4.571 4.350 0.000 0.000 0.227 144 E C -1.549 174.590 176.600 -0.769 0.000 1.009 144 E CA -0.299 55.293 56.400 -1.348 0.000 0.813 144 E CB 0.694 29.754 29.700 -1.067 0.000 1.269 144 E HN 0.288 nan 8.360 nan 0.000 0.432 145 Y N 0.276 120.459 120.300 -0.195 0.000 2.581 145 Y HA 0.276 4.827 4.550 0.000 0.000 0.337 145 Y C -2.418 173.053 175.900 -0.715 0.000 1.108 145 Y CA -2.619 55.216 58.100 -0.442 0.000 1.033 145 Y CB 1.473 39.836 38.460 -0.161 0.000 1.318 145 Y HN 0.215 nan 8.280 nan 0.000 0.459 146 P HA 0.088 nan 4.420 nan 0.000 0.269 146 P C -1.400 175.689 177.300 -0.351 0.000 1.209 146 P CA -0.119 62.255 63.100 -1.211 0.000 0.776 146 P CB 0.954 31.618 31.700 -1.728 0.000 0.876 147 Q N 1.183 120.896 119.800 -0.145 0.000 2.309 147 Q HA 0.481 4.821 4.340 0.000 0.000 0.264 147 Q C 1.358 177.354 176.000 -0.007 0.000 1.008 147 Q CA -0.786 55.014 55.803 -0.006 0.000 0.853 147 Q CB 1.609 30.383 28.738 0.060 0.000 1.314 147 Q HN 0.441 nan 8.270 nan 0.000 0.448 148 A N 2.587 125.414 122.820 0.013 0.000 1.792 148 A HA -0.412 3.908 4.320 0.000 0.000 0.277 148 A C 2.036 179.633 177.584 0.021 0.000 2.778 148 A CA 3.156 55.203 52.037 0.017 0.000 0.839 148 A CB -1.572 17.434 19.000 0.011 0.000 0.828 148 A HN 0.968 nan 8.150 nan 0.000 0.533 149 A N -1.491 121.345 122.820 0.027 0.000 2.019 149 A HA -0.115 4.205 4.320 0.000 0.000 0.219 149 A C 1.837 179.449 177.584 0.046 0.000 1.164 149 A CA 1.921 53.981 52.037 0.037 0.000 0.644 149 A CB -0.490 18.536 19.000 0.043 0.000 0.805 149 A HN 0.757 nan 8.150 nan 0.000 0.449 150 E N -0.655 119.566 120.200 0.036 0.000 2.385 150 E HA 0.022 4.372 4.350 0.000 0.000 0.194 150 E C 1.739 178.355 176.600 0.027 0.000 1.013 150 E CA 0.500 56.931 56.400 0.051 0.000 0.866 150 E CB 0.006 29.729 29.700 0.039 0.000 0.832 150 E HN 0.378 nan 8.360 nan 0.000 0.500 151 V N 1.967 121.881 119.914 -0.000 0.000 2.332 151 V HA -0.282 3.838 4.120 0.000 0.000 0.248 151 V C 1.590 177.755 176.094 0.118 0.000 1.055 151 V CA 1.994 64.323 62.300 0.049 0.000 1.038 151 V CB -0.384 31.474 31.823 0.057 0.000 0.651 151 V HN 0.243 nan 8.190 nan 0.000 0.450 152 D N 0.615 121.066 120.400 0.085 0.000 2.144 152 D HA -0.103 4.537 4.640 0.000 0.000 0.199 152 D C 2.211 178.568 176.300 0.095 0.000 0.984 152 D CA 1.606 55.652 54.000 0.077 0.000 0.834 152 D CB -0.558 40.276 40.800 0.057 0.000 0.955 152 D HN 0.483 nan 8.370 nan 0.000 0.465 153 G N 0.034 108.905 108.800 0.120 0.000 2.402 153 G HA2 -0.264 3.696 3.960 0.000 0.000 0.216 153 G HA3 -0.264 3.696 3.960 0.000 0.000 0.216 153 G C 1.468 176.494 174.900 0.210 0.000 1.162 153 G CA 0.240 45.425 45.100 0.142 0.000 0.777 153 G HN 0.224 nan 8.290 nan 0.000 0.539 154 F N 1.564 121.552 119.950 0.063 0.000 2.102 154 F HA 0.003 4.530 4.527 0.000 0.000 0.298 154 F C 2.445 178.277 175.800 0.053 0.000 1.105 154 F CA 0.984 59.031 58.000 0.079 0.000 1.239 154 F CB -0.329 38.634 39.000 -0.061 0.000 0.991 154 F HN 0.105 nan 8.300 nan 0.000 0.474 155 I N 0.355 120.924 120.570 -0.002 0.000 2.208 155 I HA -0.343 3.827 4.170 0.000 0.000 0.245 155 I C 2.678 178.748 176.117 -0.079 0.000 1.097 155 I CA 1.422 62.653 61.300 -0.115 0.000 1.363 155 I CB -0.959 37.031 38.000 -0.017 0.000 1.051 155 I HN 0.238 nan 8.210 nan 0.000 0.413 156 A N 0.504 123.322 122.820 -0.003 0.000 1.933 156 A HA -0.128 4.192 4.320 0.000 0.000 0.218 156 A C 2.515 180.108 177.584 0.014 0.000 1.175 156 A CA 1.750 53.794 52.037 0.011 0.000 0.628 156 A CB -0.765 18.258 19.000 0.038 0.000 0.814 156 A HN 0.441 nan 8.150 nan 0.000 0.444 157 A N -0.198 122.645 122.820 0.039 0.000 1.930 157 A HA 0.015 4.336 4.320 0.000 0.000 0.217 157 A C 2.135 179.724 177.584 0.007 0.000 1.175 157 A CA 1.365 53.459 52.037 0.094 0.000 0.627 157 A CB -0.541 18.601 19.000 0.236 0.000 0.815 157 A HN 0.469 nan 8.150 nan 0.000 0.443 158 L N -0.909 120.239 121.223 -0.126 0.000 2.046 158 L HA -0.252 4.089 4.340 0.000 0.000 0.208 158 L C 2.872 179.687 176.870 -0.093 0.000 1.077 158 L CA 1.569 56.311 54.840 -0.163 0.000 0.747 158 L CB -0.677 41.197 42.059 -0.308 0.000 0.896 158 L HN 0.469 nan 8.230 nan 0.000 0.432 159 Q N -0.219 119.536 119.800 -0.074 0.000 2.084 159 Q HA -0.276 4.064 4.340 0.000 0.000 0.202 159 Q C 2.132 178.115 176.000 -0.029 0.000 0.978 159 Q CA 1.822 57.598 55.803 -0.044 0.000 0.844 159 Q CB -0.079 28.641 28.738 -0.030 0.000 0.898 159 Q HN 0.380 nan 8.270 nan 0.000 0.426 160 E N 0.916 121.105 120.200 -0.018 0.000 2.077 160 E HA -0.162 4.188 4.350 0.000 0.000 0.193 160 E C 1.697 178.280 176.600 -0.029 0.000 0.989 160 E CA 1.058 57.451 56.400 -0.011 0.000 0.800 160 E CB -0.107 29.600 29.700 0.011 0.000 0.746 160 E HN 0.325 nan 8.360 nan 0.000 0.452 161 I N 0.196 120.740 120.570 -0.043 0.000 2.226 161 I HA -0.242 3.929 4.170 0.000 0.000 0.245 161 I C 2.519 178.607 176.117 -0.047 0.000 1.100 161 I CA 1.114 62.373 61.300 -0.068 0.000 1.374 161 I CB -0.274 37.672 38.000 -0.091 0.000 1.057 161 I HN 0.096 nan 8.210 nan 0.000 0.413 162 R N 1.553 122.029 120.500 -0.040 0.000 2.091 162 R HA -0.192 4.148 4.340 0.000 0.000 0.238 162 R C 2.316 178.609 176.300 -0.012 0.000 1.136 162 R CA 2.602 58.687 56.100 -0.025 0.000 0.959 162 R CB -1.361 28.920 30.300 -0.031 0.000 0.856 162 R HN 0.517 nan 8.270 nan 0.000 0.437 163 T N -1.148 113.397 114.554 -0.014 0.000 2.746 163 T HA -0.096 4.254 4.350 0.000 0.000 0.267 163 T C 2.046 176.744 174.700 -0.003 0.000 1.039 163 T CA 1.546 63.642 62.100 -0.006 0.000 1.142 163 T CB -0.421 68.443 68.868 -0.007 0.000 0.866 163 T HN 0.254 nan 8.240 nan 0.000 0.444 164 L N 0.258 121.472 121.223 -0.015 0.000 2.056 164 L HA 0.065 4.405 4.340 0.000 0.000 0.207 164 L C 2.878 179.743 176.870 -0.008 0.000 1.078 164 L CA 1.116 55.944 54.840 -0.019 0.000 0.749 164 L CB -0.626 41.408 42.059 -0.042 0.000 0.901 164 L HN 0.269 nan 8.230 nan 0.000 0.433 165 L N -0.368 120.855 121.223 -0.001 0.000 2.093 165 L HA -0.194 4.146 4.340 0.000 0.000 0.208 165 L C 2.309 179.251 176.870 0.120 0.000 1.085 165 L CA 0.968 55.838 54.840 0.049 0.000 0.755 165 L CB -0.648 41.451 42.059 0.067 0.000 0.904 165 L HN 0.332 nan 8.230 nan 0.000 0.435 166 N N -0.018 118.724 118.700 0.070 0.000 2.166 166 N HA -0.190 4.550 4.740 0.000 0.000 0.186 166 N C 1.889 177.439 175.510 0.066 0.000 1.019 166 N CA 1.148 54.236 53.050 0.063 0.000 0.856 166 N CB -0.164 38.341 38.487 0.030 0.000 0.993 166 N HN 0.398 nan 8.380 nan 0.000 0.426 167 Q N -0.134 119.696 119.800 0.051 0.000 2.079 167 Q HA -0.134 4.206 4.340 0.000 0.000 0.200 167 Q C 1.838 177.880 176.000 0.070 0.000 0.974 167 Q CA 1.062 56.892 55.803 0.045 0.000 0.840 167 Q CB -0.061 28.691 28.738 0.024 0.000 0.898 167 Q HN 0.279 nan 8.270 nan 0.000 0.430 168 Q N -0.018 119.839 119.800 0.094 0.000 2.167 168 Q HA -0.100 4.240 4.340 0.000 0.000 0.202 168 Q C 1.782 177.963 176.000 0.303 0.000 0.970 168 Q CA 1.578 57.467 55.803 0.142 0.000 0.855 168 Q CB -0.117 28.635 28.738 0.024 0.000 0.911 168 Q HN 0.235 nan 8.270 nan 0.000 0.438 169 T N 0.732 115.469 114.554 0.305 0.000 2.746 169 T HA -0.095 4.256 4.350 0.000 0.000 0.267 169 T C 1.514 176.256 174.700 0.070 0.000 1.039 169 T CA 1.236 63.432 62.100 0.160 0.000 1.142 169 T CB -0.110 68.804 68.868 0.076 0.000 0.866 169 T HN 0.212 nan 8.240 nan 0.000 0.444 170 I N 1.526 122.135 120.570 0.066 0.000 2.142 170 I HA -0.133 4.037 4.170 0.000 0.000 0.240 170 I C 2.671 178.813 176.117 0.042 0.000 1.078 170 I CA 1.540 62.862 61.300 0.037 0.000 1.343 170 I CB -1.891 36.127 38.000 0.030 0.000 1.046 170 I HN 0.248 nan 8.210 nan 0.000 0.405 171 T N 1.046 115.636 114.554 0.060 0.000 2.699 171 T HA -0.181 4.169 4.350 0.000 0.000 0.268 171 T C 1.206 175.941 174.700 0.059 0.000 1.036 171 T CA 1.675 63.807 62.100 0.054 0.000 1.147 171 T CB -0.236 68.666 68.868 0.057 0.000 0.862 171 T HN 0.283 nan 8.240 nan 0.000 0.446 172 D N 0.147 120.603 120.400 0.094 0.000 2.328 172 D HA 0.247 4.887 4.640 0.000 0.000 0.221 172 D C 1.307 177.625 176.300 0.031 0.000 1.072 172 D CA 0.311 54.363 54.000 0.086 0.000 0.850 172 D CB -0.320 40.588 40.800 0.180 0.000 0.922 172 D HN 0.452 nan 8.370 nan 0.000 0.516 173 G N 1.976 110.784 108.800 0.014 0.000 2.338 173 G HA2 -0.326 3.634 3.960 0.000 0.000 0.296 173 G HA3 -0.326 3.634 3.960 0.000 0.000 0.296 173 G C 0.794 175.667 174.900 -0.044 0.000 1.040 173 G CA -0.141 44.952 45.100 -0.011 0.000 1.004 173 G HN 0.196 nan 8.290 nan 0.000 0.509 174 R N -0.770 119.681 120.500 -0.081 0.000 2.515 174 R HA 0.151 4.492 4.340 0.000 0.000 0.294 174 R C 1.977 178.190 176.300 -0.145 0.000 1.021 174 R CA 0.103 56.102 56.100 -0.167 0.000 1.081 174 R CB 0.229 30.297 30.300 -0.386 0.000 1.263 174 R HN 0.563 nan 8.270 nan 0.000 0.557 175 Q N 0.294 120.045 119.800 -0.082 0.000 2.248 175 Q HA -0.110 4.231 4.340 0.000 0.000 0.208 175 Q C 1.865 177.829 176.000 -0.060 0.000 0.984 175 Q CA 2.044 57.811 55.803 -0.060 0.000 0.875 175 Q CB -0.155 28.562 28.738 -0.036 0.000 0.910 175 Q HN 0.311 nan 8.270 nan 0.000 0.433 176 A N -0.824 121.958 122.820 -0.064 0.000 2.067 176 A HA 0.114 4.434 4.320 0.000 0.000 0.217 176 A C 0.775 178.321 177.584 -0.064 0.000 1.156 176 A CA 0.468 52.473 52.037 -0.053 0.000 0.683 176 A CB 0.377 19.350 19.000 -0.045 0.000 0.808 176 A HN 0.274 nan 8.150 nan 0.000 0.455 177 L N 0.343 121.505 121.223 -0.101 0.000 2.472 177 L HA 0.374 4.714 4.340 0.000 0.000 0.256 177 L C -2.891 173.864 176.870 -0.191 0.000 1.560 177 L CA -1.916 52.856 54.840 -0.114 0.000 0.805 177 L CB 1.380 43.372 42.059 -0.110 0.000 1.017 177 L HN -0.118 nan 8.230 nan 0.000 0.519 178 P HA 0.030 nan 4.420 nan 0.000 0.267 178 P C -0.896 176.307 177.300 -0.162 0.000 1.201 178 P CA 0.275 63.265 63.100 -0.183 0.000 0.775 178 P CB 0.167 31.827 31.700 -0.067 0.000 0.854 179 Y N 0.403 120.721 120.300 0.031 0.000 2.480 179 Y HA 0.155 4.705 4.550 0.001 0.000 0.338 179 Y C 1.401 177.323 175.900 0.035 0.000 1.220 179 Y CA 0.789 58.916 58.100 0.045 0.000 1.430 179 Y CB 0.179 38.666 38.460 0.045 0.000 1.311 179 Y HN 0.323 nan 8.280 nan 0.000 0.575 180 Q N 1.646 121.575 119.800 0.215 0.000 2.399 180 Q HA 0.662 5.002 4.340 0.000 0.000 0.276 180 Q C -1.752 174.296 176.000 0.080 0.000 1.098 180 Q CA -1.369 54.511 55.803 0.129 0.000 0.827 180 Q CB 2.875 31.718 28.738 0.174 0.000 1.386 180 Q HN 0.527 nan 8.270 nan 0.000 0.443 181 L N 0.820 122.063 121.223 0.033 0.000 2.409 181 L HA 0.646 4.987 4.340 0.000 0.000 0.272 181 L C -1.119 175.755 176.870 0.007 0.000 0.980 181 L CA 0.074 54.910 54.840 -0.008 0.000 0.826 181 L CB 2.128 44.169 42.059 -0.029 0.000 1.268 181 L HN 0.810 nan 8.230 nan 0.000 0.407 182 T N 2.780 117.343 114.554 0.015 0.000 2.865 182 T HA 0.833 5.184 4.350 0.000 0.000 0.294 182 T C -0.377 174.365 174.700 0.071 0.000 1.119 182 T CA -0.583 61.552 62.100 0.059 0.000 1.007 182 T CB 1.572 70.493 68.868 0.090 0.000 1.225 182 T HN 0.873 nan 8.240 nan 0.000 0.515 183 I N -1.730 118.909 120.570 0.115 0.000 3.074 183 I HA 0.914 5.084 4.170 0.000 0.000 0.310 183 I C -0.779 175.451 176.117 0.188 0.000 1.153 183 I CA -1.857 59.545 61.300 0.170 0.000 0.993 183 I CB 1.878 40.008 38.000 0.216 0.000 1.237 183 I HN 0.946 nan 8.210 nan 0.000 0.443 184 A N 2.390 125.341 122.820 0.219 0.000 2.290 184 A HA 0.848 5.168 4.320 0.000 0.000 0.310 184 A C 0.045 177.762 177.584 0.221 0.000 1.202 184 A CA -0.124 52.046 52.037 0.221 0.000 0.837 184 A CB 0.651 19.793 19.000 0.237 0.000 1.139 184 A HN 1.119 nan 8.150 nan 0.000 0.509 185 G N 0.180 109.122 108.800 0.236 0.000 2.511 185 G HA2 0.660 4.620 3.960 0.000 0.000 0.318 185 G HA3 0.660 4.620 3.960 0.000 0.000 0.318 185 G C 0.095 175.203 174.900 0.347 0.000 1.210 185 G CA -0.105 45.200 45.100 0.342 0.000 0.969 185 G HN 1.402 nan 8.290 nan 0.000 0.484 186 A N -0.796 122.250 122.820 0.377 0.000 2.498 186 A HA 0.517 4.837 4.320 0.000 0.000 0.239 186 A C 1.323 178.965 177.584 0.097 0.000 1.068 186 A CA 0.572 52.663 52.037 0.090 0.000 0.766 186 A CB 0.442 19.275 19.000 -0.278 0.000 1.003 186 A HN 1.506 nan 8.150 nan 0.000 0.497 187 G N 0.964 109.775 108.800 0.019 0.000 3.393 187 G HA2 0.475 4.435 3.960 0.000 0.000 0.255 187 G HA3 0.475 4.435 3.960 0.000 0.000 0.255 187 G C 0.405 175.307 174.900 0.002 0.000 1.097 187 G CA 0.593 45.689 45.100 -0.007 0.000 0.780 187 G HN 1.265 nan 8.290 nan 0.000 0.540 188 G N -1.616 107.185 108.800 0.001 0.000 2.667 188 G HA2 0.536 4.496 3.960 0.000 0.000 0.298 188 G HA3 0.536 4.496 3.960 0.000 0.000 0.298 188 G C 0.699 175.529 174.900 -0.117 0.000 1.377 188 G CA 0.290 45.382 45.100 -0.013 0.000 0.964 188 G HN 0.308 nan 8.290 nan 0.000 0.493 189 A N 0.731 123.415 122.820 -0.227 0.000 2.024 189 A HA 0.067 4.388 4.320 0.000 0.000 0.220 189 A C 1.894 179.167 177.584 -0.519 0.000 1.164 189 A CA 1.569 53.329 52.037 -0.461 0.000 0.643 189 A CB -0.538 18.114 19.000 -0.581 0.000 0.806 189 A HN 0.593 nan 8.150 nan 0.000 0.451 190 F N -1.407 118.404 119.950 -0.232 0.000 2.102 190 F HA -0.113 4.414 4.527 0.001 0.000 0.298 190 F C 2.005 177.533 175.800 -0.453 0.000 1.105 190 F CA 1.503 59.295 58.000 -0.348 0.000 1.239 190 F CB -0.766 37.978 39.000 -0.427 0.000 0.991 190 F HN 0.227 nan 8.300 nan 0.000 0.474 191 F N -0.960 118.911 119.950 -0.132 0.000 2.335 191 F HA -0.004 4.523 4.527 0.000 0.000 0.296 191 F C 2.121 177.600 175.800 -0.534 0.000 1.091 191 F CA 0.283 58.072 58.000 -0.351 0.000 1.399 191 F CB -0.963 37.666 39.000 -0.618 0.000 1.067 191 F HN -0.122 nan 8.300 nan 0.000 0.520 192 L N 0.450 121.447 121.223 -0.375 0.000 2.127 192 L HA -0.195 4.146 4.340 0.000 0.000 0.211 192 L C 2.535 178.996 176.870 -0.682 0.000 1.089 192 L CA 2.048 56.505 54.840 -0.637 0.000 0.757 192 L CB -1.169 40.615 42.059 -0.457 0.000 0.899 192 L HN 0.186 nan 8.230 nan 0.000 0.434 193 S N -0.987 114.415 115.700 -0.497 0.000 2.440 193 S HA -0.231 4.239 4.470 0.000 0.000 0.238 193 S C 2.050 176.476 174.600 -0.290 0.000 1.010 193 S CA 0.955 58.903 58.200 -0.420 0.000 0.972 193 S CB -0.681 62.296 63.200 -0.371 0.000 0.774 193 S HN 0.579 nan 8.310 nan 0.000 0.501 194 R N 0.306 120.653 120.500 -0.254 0.000 2.096 194 R HA -0.085 4.255 4.340 0.000 0.000 0.235 194 R C 1.517 177.805 176.300 -0.019 0.000 1.127 194 R CA 1.858 57.907 56.100 -0.085 0.000 0.968 194 R CB -0.353 29.984 30.300 0.062 0.000 0.861 194 R HN 0.915 nan 8.270 nan 0.000 0.440 195 Y N -5.272 115.000 120.300 -0.046 0.000 2.672 195 Y HA 0.233 4.784 4.550 0.000 0.000 0.252 195 Y C 1.245 177.145 175.900 -0.000 0.000 1.132 195 Y CA -1.254 56.829 58.100 -0.028 0.000 1.228 195 Y CB -0.706 37.735 38.460 -0.031 0.000 1.310 195 Y HN -0.129 nan 8.280 nan 0.000 0.549 196 Y N 2.742 122.812 120.300 -0.383 0.000 2.151 196 Y HA -0.292 4.259 4.550 0.000 0.000 0.284 196 Y C 2.638 178.445 175.900 -0.154 0.000 1.166 196 Y CA 2.338 60.242 58.100 -0.327 0.000 1.163 196 Y CB -0.426 37.774 38.460 -0.433 0.000 0.974 196 Y HN 0.362 nan 8.280 nan 0.000 0.511 197 S N -0.728 114.903 115.700 -0.115 0.000 2.469 197 S HA -0.145 4.325 4.470 0.000 0.000 0.238 197 S C 1.324 175.859 174.600 -0.109 0.000 0.998 197 S CA 1.278 59.376 58.200 -0.170 0.000 0.957 197 S CB -0.378 62.754 63.200 -0.113 0.000 0.764 197 S HN 0.551 nan 8.310 nan 0.000 0.514 198 K N 0.177 120.557 120.400 -0.033 0.000 2.514 198 K HA 0.352 4.673 4.320 0.000 0.000 0.207 198 K C 0.734 177.354 176.600 0.033 0.000 1.035 198 K CA -0.277 56.017 56.287 0.012 0.000 1.113 198 K CB 0.281 32.814 32.500 0.054 0.000 0.846 198 K HN 0.127 nan 8.250 nan 0.000 0.491 199 L N 1.581 122.791 121.223 -0.020 0.000 2.042 199 L HA -0.167 4.173 4.340 0.000 0.000 0.210 199 L C 2.172 179.061 176.870 0.032 0.000 1.076 199 L CA 1.852 56.711 54.840 0.032 0.000 0.749 199 L CB -0.498 41.495 42.059 -0.111 0.000 0.893 199 L HN 0.269 nan 8.230 nan 0.000 0.432 200 A N -1.579 121.239 122.820 -0.004 0.000 1.972 200 A HA -0.230 4.090 4.320 0.000 0.000 0.219 200 A C 2.122 179.716 177.584 0.017 0.000 1.169 200 A CA 1.614 53.659 52.037 0.014 0.000 0.635 200 A CB -0.414 18.591 19.000 0.008 0.000 0.810 200 A HN 0.536 nan 8.150 nan 0.000 0.446 201 Q N -0.265 119.544 119.800 0.015 0.000 2.172 201 Q HA 0.102 4.442 4.340 0.000 0.000 0.200 201 Q C 1.841 177.838 176.000 -0.004 0.000 0.964 201 Q CA 1.125 56.933 55.803 0.008 0.000 0.855 201 Q CB -0.376 28.370 28.738 0.012 0.000 0.918 201 Q HN 0.742 nan 8.270 nan 0.000 0.444 202 I N -0.649 119.929 120.570 0.013 0.000 2.252 202 I HA -0.202 3.969 4.170 0.000 0.000 0.245 202 I C 1.606 177.714 176.117 -0.015 0.000 1.102 202 I CA 0.777 62.070 61.300 -0.013 0.000 1.385 202 I CB -0.027 38.002 38.000 0.048 0.000 1.064 202 I HN 0.021 nan 8.210 nan 0.000 0.414 203 V N 0.781 120.711 119.914 0.027 0.000 2.871 203 V HA -0.113 4.007 4.120 0.000 0.000 0.256 203 V C 2.620 178.713 176.094 -0.002 0.000 1.082 203 V CA 1.267 63.586 62.300 0.030 0.000 1.105 203 V CB -0.706 31.160 31.823 0.072 0.000 0.713 203 V HN 0.429 nan 8.190 nan 0.000 0.473 204 A N 1.626 124.441 122.820 -0.008 0.000 1.892 204 A HA -0.161 4.159 4.320 0.000 0.000 0.218 204 A C 0.717 178.281 177.584 -0.033 0.000 1.188 204 A CA 2.336 54.362 52.037 -0.018 0.000 0.631 204 A CB -1.821 17.170 19.000 -0.014 0.000 0.822 204 A HN 0.601 nan 8.150 nan 0.000 0.447 205 P HA 0.161 nan 4.420 nan 0.000 0.249 205 P C 0.100 177.366 177.300 -0.056 0.000 1.229 205 P CA 0.358 63.426 63.100 -0.052 0.000 0.788 205 P CB -0.068 31.592 31.700 -0.066 0.000 1.072 206 L N -0.206 120.984 121.223 -0.055 0.000 2.416 206 L HA 0.301 4.641 4.340 0.000 0.000 0.262 206 L C 1.469 178.276 176.870 -0.106 0.000 1.093 206 L CA -0.620 54.185 54.840 -0.057 0.000 0.801 206 L CB 0.659 42.704 42.059 -0.024 0.000 1.191 206 L HN -0.270 nan 8.230 nan 0.000 0.459 207 D N -0.401 119.907 120.400 -0.154 0.000 2.216 207 D HA 0.030 4.671 4.640 0.000 0.000 0.208 207 D C -0.569 175.340 176.300 -0.651 0.000 0.960 207 D CA 1.560 55.330 54.000 -0.384 0.000 0.861 207 D CB 0.500 41.101 40.800 -0.332 0.000 0.985 207 D HN 0.271 nan 8.370 nan 0.000 0.493 208 Y N -0.691 119.602 120.300 -0.011 0.000 2.581 208 Y HA 0.407 4.957 4.550 0.000 0.000 0.337 208 Y C -0.697 175.208 175.900 0.007 0.000 1.108 208 Y CA -0.975 57.117 58.100 -0.013 0.000 1.033 208 Y CB 2.033 40.459 38.460 -0.056 0.000 1.318 208 Y HN -0.286 nan 8.280 nan 0.000 0.459 209 I N 3.133 123.832 120.570 0.214 0.000 2.362 209 I HA 0.468 4.638 4.170 0.000 0.000 0.289 209 I C -1.270 174.927 176.117 0.134 0.000 0.994 209 I CA -0.649 60.747 61.300 0.160 0.000 1.158 209 I CB 0.609 38.703 38.000 0.158 0.000 1.315 209 I HN 0.582 nan 8.210 nan 0.000 0.451 210 N N 8.824 127.601 118.700 0.129 0.000 2.462 210 N HA 0.340 5.080 4.740 0.000 0.000 0.242 210 N C -0.788 174.787 175.510 0.109 0.000 1.010 210 N CA -0.250 52.865 53.050 0.108 0.000 0.939 210 N CB 1.458 40.026 38.487 0.134 0.000 1.127 210 N HN 0.565 nan 8.380 nan 0.000 0.509 211 L N 1.971 123.224 121.223 0.050 0.000 2.360 211 L HA 0.281 4.621 4.340 0.000 0.000 0.276 211 L C 1.109 177.957 176.870 -0.036 0.000 1.121 211 L CA -0.036 54.806 54.840 0.003 0.000 0.845 211 L CB 0.424 42.432 42.059 -0.085 0.000 1.143 211 L HN 0.333 nan 8.230 nan 0.000 0.452 212 M N 3.274 122.803 119.600 -0.119 0.000 3.586 212 M HA 0.062 4.542 4.480 0.000 0.000 0.225 212 M C 0.394 176.335 176.300 -0.598 0.000 1.428 212 M CA -0.162 54.833 55.300 -0.510 0.000 1.613 212 M CB -0.467 31.891 32.600 -0.404 0.000 1.063 212 M HN 0.571 nan 8.290 nan 0.000 0.593 213 T N -0.314 114.027 114.554 -0.354 0.000 4.099 213 T HA 0.254 4.605 4.350 0.000 0.000 0.223 213 T C -0.494 174.196 174.700 -0.016 0.000 0.968 213 T CA -0.221 61.796 62.100 -0.138 0.000 0.966 213 T CB -1.149 67.709 68.868 -0.017 0.000 1.328 213 T HN 0.518 nan 8.240 nan 0.000 0.783 214 Y N -3.085 117.283 120.300 0.112 0.000 2.853 214 Y HA 0.566 5.116 4.550 0.000 0.000 0.326 214 Y C -0.320 175.680 175.900 0.166 0.000 1.384 214 Y CA -1.921 56.253 58.100 0.123 0.000 1.077 214 Y CB -0.006 38.528 38.460 0.124 0.000 1.395 214 Y HN 0.084 nan 8.280 nan 0.000 0.451 215 D N 0.168 120.867 120.400 0.499 0.000 2.837 215 D HA -0.166 4.474 4.640 0.000 0.000 0.230 215 D C 0.482 177.029 176.300 0.411 0.000 1.152 215 D CA 1.161 55.450 54.000 0.482 0.000 0.736 215 D CB -0.941 40.121 40.800 0.435 0.000 1.084 215 D HN 0.726 nan 8.370 nan 0.000 0.429 216 L N -1.532 119.859 121.223 0.279 0.000 2.599 216 L HA 0.255 4.595 4.340 0.000 0.000 0.230 216 L C 1.159 178.150 176.870 0.202 0.000 1.141 216 L CA 0.734 55.686 54.840 0.187 0.000 0.877 216 L CB 0.004 42.107 42.059 0.074 0.000 1.009 216 L HN 0.193 nan 8.230 nan 0.000 0.447 217 A N -0.559 122.407 122.820 0.243 0.000 2.475 217 A HA 0.824 5.144 4.320 0.000 0.000 0.301 217 A C -0.341 177.148 177.584 -0.159 0.000 1.059 217 A CA 0.008 52.112 52.037 0.112 0.000 0.710 217 A CB 1.720 20.820 19.000 0.166 0.000 1.288 217 A HN 0.102 nan 8.150 nan 0.000 0.408 218 G N 0.107 108.445 108.800 -0.771 0.000 2.495 218 G HA2 0.611 4.572 3.960 0.000 0.000 0.294 218 G HA3 0.611 4.572 3.960 0.000 0.000 0.294 218 G C -2.655 171.547 174.900 -1.164 0.000 1.397 218 G CA -0.189 43.904 45.100 -1.679 0.000 0.790 218 G HN 0.390 nan 8.290 nan 0.000 0.486 219 P HA -0.059 nan 4.420 nan 0.000 0.228 219 P C 1.121 178.505 177.300 0.141 0.000 1.151 219 P CA 1.192 64.213 63.100 -0.131 0.000 0.770 219 P CB -0.070 31.611 31.700 -0.031 0.000 0.786 220 W N -0.135 121.278 121.300 0.189 0.000 2.800 220 W HA 0.217 4.877 4.660 0.000 0.000 0.249 220 W C 0.387 177.000 176.519 0.157 0.000 1.294 220 W CA -0.181 57.246 57.345 0.138 0.000 1.402 220 W CB -0.930 28.567 29.460 0.062 0.000 1.126 220 W HN -0.227 nan 8.180 nan 0.000 0.652 221 E N 1.673 121.899 120.200 0.044 0.000 2.248 221 E HA 0.097 4.447 4.350 0.000 0.000 0.272 221 E C 1.001 177.730 176.600 0.215 0.000 1.008 221 E CA -0.350 56.134 56.400 0.140 0.000 0.856 221 E CB 1.586 31.340 29.700 0.089 0.000 1.120 221 E HN 0.185 nan 8.360 nan 0.000 0.397 222 K N -0.540 119.937 120.400 0.128 0.000 2.418 222 K HA 0.126 4.447 4.320 0.000 0.000 0.195 222 K C 0.357 176.999 176.600 0.070 0.000 1.035 222 K CA 0.306 56.630 56.287 0.062 0.000 1.003 222 K CB 0.391 32.882 32.500 -0.015 0.000 0.793 222 K HN 0.076 nan 8.250 nan 0.000 0.494 223 V N 2.065 122.018 119.914 0.065 0.000 2.735 223 V HA 0.269 4.390 4.120 0.000 0.000 0.310 223 V C -0.390 175.589 176.094 -0.191 0.000 1.061 223 V CA -0.807 61.476 62.300 -0.028 0.000 0.913 223 V CB 1.898 33.674 31.823 -0.077 0.000 1.005 223 V HN 0.450 nan 8.190 nan 0.000 0.428 224 T N 1.799 116.078 114.554 -0.458 0.000 2.926 224 T HA 0.447 4.797 4.350 0.000 0.000 0.307 224 T C -0.250 174.096 174.700 -0.590 0.000 1.059 224 T CA -0.150 61.349 62.100 -1.002 0.000 1.122 224 T CB 0.883 68.920 68.868 -1.385 0.000 0.972 224 T HN 0.722 nan 8.240 nan 0.000 0.545 225 N N -0.238 118.202 118.700 -0.434 0.000 3.046 225 N HA 0.231 4.971 4.740 0.000 0.000 0.243 225 N C -1.906 173.593 175.510 -0.018 0.000 1.452 225 N CA -0.747 52.238 53.050 -0.107 0.000 0.882 225 N CB 1.019 39.569 38.487 0.105 0.000 1.425 225 N HN 0.793 nan 8.380 nan 0.000 0.517 226 H N 0.551 119.729 119.070 0.181 0.000 2.764 226 H HA 0.108 4.664 4.556 0.001 0.000 0.341 226 H C 0.667 176.073 175.328 0.130 0.000 1.072 226 H CA 0.345 56.476 56.048 0.138 0.000 1.444 226 H CB 0.967 30.759 29.762 0.050 0.000 1.458 226 H HN 0.492 nan 8.280 nan 0.000 0.572 227 Q N 2.095 122.030 119.800 0.225 0.000 2.432 227 Q HA 0.175 4.515 4.340 0.000 0.000 0.205 227 Q C 0.359 176.464 176.000 0.176 0.000 0.945 227 Q CA 0.822 56.747 55.803 0.202 0.000 0.924 227 Q CB 0.727 29.588 28.738 0.205 0.000 1.016 227 Q HN 0.533 nan 8.270 nan 0.000 0.503 228 A N 0.515 123.422 122.820 0.144 0.000 3.292 228 A HA 0.677 4.998 4.320 0.000 0.000 0.231 228 A C -0.156 177.441 177.584 0.021 0.000 0.952 228 A CA -0.275 51.822 52.037 0.101 0.000 1.044 228 A CB 0.170 19.256 19.000 0.142 0.000 1.236 228 A HN 0.359 nan 8.150 nan 0.000 0.525 229 A N 0.036 122.862 122.820 0.011 0.000 2.511 229 A HA 0.432 4.752 4.320 0.000 0.000 0.242 229 A C 1.145 178.625 177.584 -0.173 0.000 1.069 229 A CA 0.137 52.114 52.037 -0.100 0.000 0.763 229 A CB 0.121 19.088 19.000 -0.055 0.000 1.001 229 A HN 1.321 nan 8.150 nan 0.000 0.498 230 L N 2.640 123.684 121.223 -0.298 0.000 2.068 230 L HA 0.277 4.617 4.340 0.000 0.000 0.204 230 L C 0.069 176.528 176.870 -0.685 0.000 1.076 230 L CA 1.743 56.243 54.840 -0.567 0.000 0.753 230 L CB -0.445 41.178 42.059 -0.726 0.000 0.910 230 L HN 0.610 nan 8.230 nan 0.000 0.439 231 F N -1.223 118.653 119.950 -0.122 0.000 2.618 231 F HA 0.655 5.182 4.527 0.000 0.000 0.332 231 F C 0.893 176.655 175.800 -0.064 0.000 1.061 231 F CA -0.954 57.005 58.000 -0.067 0.000 0.974 231 F CB 0.449 39.420 39.000 -0.048 0.000 1.310 231 F HN -0.128 nan 8.300 nan 0.000 0.491 232 G N -0.190 108.729 108.800 0.198 0.000 2.448 232 G HA2 0.402 4.363 3.960 0.000 0.000 0.285 232 G HA3 0.402 4.363 3.960 0.000 0.000 0.285 232 G C -1.640 173.281 174.900 0.036 0.000 1.176 232 G CA -0.219 44.931 45.100 0.083 0.000 0.852 232 G HN 0.498 nan 8.290 nan 0.000 0.530 233 D N 0.988 121.386 120.400 -0.004 0.000 2.381 233 D HA 0.439 5.079 4.640 0.000 0.000 0.235 233 D C 1.168 177.421 176.300 -0.078 0.000 1.068 233 D CA -0.218 53.770 54.000 -0.020 0.000 0.832 233 D CB 1.547 42.368 40.800 0.035 0.000 1.101 233 D HN 0.298 nan 8.370 nan 0.000 0.515 234 A N 3.546 126.332 122.820 -0.056 0.000 2.076 234 A HA -0.035 4.286 4.320 0.000 0.000 0.220 234 A C 1.882 179.389 177.584 -0.128 0.000 1.160 234 A CA 1.781 53.772 52.037 -0.076 0.000 0.653 234 A CB -0.320 18.653 19.000 -0.044 0.000 0.801 234 A HN 0.612 nan 8.150 nan 0.000 0.455 235 A N -0.646 122.092 122.820 -0.136 0.000 2.169 235 A HA 0.448 4.768 4.320 0.000 0.000 0.212 235 A C 1.437 178.709 177.584 -0.519 0.000 1.153 235 A CA 0.845 52.776 52.037 -0.177 0.000 0.756 235 A CB -0.656 18.343 19.000 -0.001 0.000 0.813 235 A HN 0.669 nan 8.150 nan 0.000 0.471 236 G N 0.129 108.458 108.800 -0.786 0.000 2.557 236 G HA2 0.487 4.447 3.960 0.000 0.000 0.292 236 G HA3 0.487 4.447 3.960 0.000 0.000 0.292 236 G C -2.378 172.131 174.900 -0.653 0.000 1.237 236 G CA -1.292 42.982 45.100 -1.378 0.000 0.978 236 G HN 0.185 nan 8.290 nan 0.000 0.498 237 P HA 0.232 nan 4.420 nan 0.000 0.272 237 P C -0.204 176.880 177.300 -0.360 0.000 1.230 237 P CA 0.055 62.908 63.100 -0.411 0.000 0.788 237 P CB 0.929 32.384 31.700 -0.409 0.000 0.949 238 T N -1.758 112.526 114.554 -0.450 0.000 2.916 238 T HA 0.748 5.099 4.350 0.000 0.000 0.292 238 T C -0.709 173.694 174.700 -0.494 0.000 1.055 238 T CA -0.544 61.389 62.100 -0.278 0.000 1.009 238 T CB 0.962 69.758 68.868 -0.119 0.000 1.118 238 T HN 0.175 nan 8.240 nan 0.000 0.497 239 F N -0.281 119.638 119.950 -0.052 0.000 2.611 239 F HA 0.523 5.050 4.527 0.000 0.000 0.324 239 F C -0.373 175.608 175.800 0.301 0.000 1.061 239 F CA -1.631 56.450 58.000 0.134 0.000 0.954 239 F CB 1.264 40.360 39.000 0.160 0.000 1.301 239 F HN 0.734 nan 8.300 nan 0.000 0.482 240 Y N 2.287 122.863 120.300 0.461 0.000 2.544 240 Y HA 0.100 4.650 4.550 0.001 0.000 0.330 240 Y C 0.481 176.533 175.900 0.254 0.000 1.136 240 Y CA -0.179 58.111 58.100 0.316 0.000 1.417 240 Y CB 0.195 38.834 38.460 0.298 0.000 1.229 240 Y HN 0.457 nan 8.280 nan 0.000 0.532 241 N N 5.426 124.033 118.700 -0.155 0.000 2.508 241 N HA 0.097 4.837 4.740 0.000 0.000 0.253 241 N C 0.556 175.797 175.510 -0.449 0.000 1.145 241 N CA 0.601 53.437 53.050 -0.357 0.000 0.973 241 N CB 0.790 38.965 38.487 -0.521 0.000 1.305 241 N HN 0.906 nan 8.380 nan 0.000 0.506 242 A N 4.324 126.932 122.820 -0.354 0.000 2.076 242 A HA -0.113 4.207 4.320 0.000 0.000 0.220 242 A C 2.094 179.389 177.584 -0.482 0.000 1.160 242 A CA 0.872 52.756 52.037 -0.255 0.000 0.653 242 A CB -0.298 18.488 19.000 -0.355 0.000 0.801 242 A HN 0.740 nan 8.150 nan 0.000 0.455 243 L N -0.300 120.437 121.223 -0.809 0.000 2.265 243 L HA -0.201 4.139 4.340 0.000 0.000 0.215 243 L C 2.647 178.792 176.870 -1.208 0.000 1.117 243 L CA 1.502 55.615 54.840 -1.210 0.000 0.782 243 L CB -0.552 40.371 42.059 -1.893 0.000 0.914 243 L HN 0.612 nan 8.230 nan 0.000 0.441 244 R N -0.218 119.784 120.500 -0.829 0.000 2.285 244 R HA -0.095 4.245 4.340 0.000 0.000 0.213 244 R C 1.009 177.155 176.300 -0.257 0.000 1.068 244 R CA 0.855 56.717 56.100 -0.397 0.000 1.004 244 R CB -0.173 29.996 30.300 -0.219 0.000 0.873 244 R HN 0.298 nan 8.270 nan 0.000 0.467 245 E N 0.796 120.837 120.200 -0.264 0.000 2.481 245 E HA 0.226 4.576 4.350 0.000 0.000 0.198 245 E C 0.170 176.660 176.600 -0.185 0.000 1.027 245 E CA 0.201 56.518 56.400 -0.139 0.000 0.900 245 E CB 1.022 30.701 29.700 -0.036 0.000 0.993 245 E HN 0.423 nan 8.360 nan 0.000 0.482 246 A N 1.730 124.371 122.820 -0.299 0.000 2.366 246 A HA 0.110 4.430 4.320 0.000 0.000 0.249 246 A C 0.573 178.035 177.584 -0.202 0.000 1.084 246 A CA -0.328 51.554 52.037 -0.259 0.000 0.794 246 A CB 0.110 18.921 19.000 -0.316 0.000 1.034 246 A HN -0.017 nan 8.150 nan 0.000 0.491 247 N N 1.263 119.874 118.700 -0.148 0.000 3.050 247 N HA 0.203 4.943 4.740 0.000 0.000 0.289 247 N C 0.359 175.774 175.510 -0.159 0.000 1.209 247 N CA 0.154 53.134 53.050 -0.116 0.000 1.154 247 N CB -0.542 37.907 38.487 -0.064 0.000 1.444 247 N HN 0.593 nan 8.380 nan 0.000 0.529 248 L N 0.174 121.234 121.223 -0.271 0.000 2.298 248 L HA 0.277 4.618 4.340 0.000 0.000 0.209 248 L C 1.569 178.302 176.870 -0.228 0.000 1.084 248 L CA 0.491 55.056 54.840 -0.458 0.000 0.816 248 L CB -0.073 41.291 42.059 -1.159 0.000 0.967 248 L HN 0.540 nan 8.230 nan 0.000 0.460 249 G N -1.295 107.460 108.800 -0.075 0.000 2.143 249 G HA2 -0.223 3.737 3.960 0.000 0.000 0.249 249 G HA3 -0.223 3.737 3.960 0.000 0.000 0.249 249 G C -0.215 174.862 174.900 0.295 0.000 0.981 249 G CA -0.358 44.806 45.100 0.108 0.000 0.665 249 G HN 0.083 nan 8.290 nan 0.000 0.528 250 W N 1.466 122.811 121.300 0.075 0.000 2.183 250 W HA 0.697 5.358 4.660 0.001 0.000 0.348 250 W C 1.227 177.799 176.519 0.089 0.000 1.257 250 W CA -0.807 56.581 57.345 0.072 0.000 1.324 250 W CB 0.390 29.890 29.460 0.066 0.000 1.144 250 W HN 0.540 nan 8.180 nan 0.000 0.622 251 S N 0.113 116.010 115.700 0.328 0.000 2.624 251 S HA 0.012 4.482 4.470 0.000 0.000 0.263 251 S C 0.656 175.438 174.600 0.302 0.000 1.287 251 S CA -0.426 57.941 58.200 0.278 0.000 0.990 251 S CB 0.728 64.069 63.200 0.236 0.000 0.950 251 S HN 0.591 nan 8.310 nan 0.000 0.561 252 W N 1.229 122.610 121.300 0.135 0.000 2.335 252 W HA -0.104 4.556 4.660 0.000 0.000 0.311 252 W C 2.180 178.759 176.519 0.100 0.000 1.213 252 W CA 1.853 59.266 57.345 0.113 0.000 1.274 252 W CB -0.162 29.351 29.460 0.088 0.000 1.148 252 W HN 0.796 nan 8.180 nan 0.000 0.498 253 E N 0.250 120.724 120.200 0.456 0.000 2.110 253 E HA -0.222 4.129 4.350 0.000 0.000 0.193 253 E C 1.849 178.471 176.600 0.037 0.000 0.988 253 E CA 1.816 58.382 56.400 0.276 0.000 0.804 253 E CB -0.546 29.314 29.700 0.267 0.000 0.745 253 E HN 0.579 nan 8.360 nan 0.000 0.458 254 E N 0.604 120.837 120.200 0.055 0.000 2.072 254 E HA -0.102 4.248 4.350 0.000 0.000 0.191 254 E C 2.358 178.976 176.600 0.029 0.000 0.985 254 E CA 0.554 56.934 56.400 -0.033 0.000 0.801 254 E CB -0.079 29.578 29.700 -0.070 0.000 0.750 254 E HN 0.180 nan 8.360 nan 0.000 0.452 255 L N 0.626 121.921 121.223 0.120 0.000 2.056 255 L HA -0.158 4.182 4.340 0.000 0.000 0.207 255 L C 2.556 179.352 176.870 -0.124 0.000 1.078 255 L CA 1.237 56.160 54.840 0.139 0.000 0.749 255 L CB -0.558 41.552 42.059 0.085 0.000 0.901 255 L HN 0.150 nan 8.230 nan 0.000 0.433 256 T N -0.940 113.397 114.554 -0.361 0.000 2.788 256 T HA -0.212 4.138 4.350 0.000 0.000 0.268 256 T C 2.001 176.527 174.700 -0.290 0.000 1.044 256 T CA 1.247 63.073 62.100 -0.456 0.000 1.139 256 T CB -0.195 68.168 68.868 -0.842 0.000 0.867 256 T HN 0.267 nan 8.240 nan 0.000 0.454 257 R N 0.788 121.142 120.500 -0.243 0.000 2.115 257 R HA 0.092 4.433 4.340 0.000 0.000 0.226 257 R C 2.426 178.545 176.300 -0.301 0.000 1.100 257 R CA 1.153 57.121 56.100 -0.220 0.000 0.980 257 R CB -0.265 29.930 30.300 -0.176 0.000 0.875 257 R HN 0.360 nan 8.270 nan 0.000 0.445 258 A N 0.035 122.593 122.820 -0.436 0.000 1.975 258 A HA 0.066 4.387 4.320 0.000 0.000 0.215 258 A C 0.163 177.274 177.584 -0.787 0.000 1.170 258 A CA 0.474 52.084 52.037 -0.712 0.000 0.656 258 A CB 0.215 18.575 19.000 -1.067 0.000 0.821 258 A HN 0.268 nan 8.150 nan 0.000 0.449 259 F N 0.977 120.871 119.950 -0.093 0.000 2.531 259 F HA 0.332 4.859 4.527 0.001 0.000 0.333 259 F C -2.566 173.086 175.800 -0.248 0.000 1.292 259 F CA -3.698 54.197 58.000 -0.176 0.000 1.184 259 F CB 0.470 39.325 39.000 -0.241 0.000 1.426 259 F HN -0.026 nan 8.300 nan 0.000 0.559 260 P HA 0.098 nan 4.420 nan 0.000 0.266 260 P C -0.162 177.109 177.300 -0.048 0.000 1.195 260 P CA 0.289 63.317 63.100 -0.121 0.000 0.768 260 P CB 1.795 33.396 31.700 -0.165 0.000 0.838 261 S N 2.053 117.732 115.700 -0.035 0.000 2.543 261 S HA 0.532 5.002 4.470 0.000 0.000 0.271 261 S C -2.680 171.930 174.600 0.017 0.000 1.148 261 S CA -1.091 57.111 58.200 0.004 0.000 0.914 261 S CB 0.722 63.818 63.200 -0.172 0.000 1.096 261 S HN 0.331 nan 8.310 nan 0.000 0.471 262 P HA 0.503 nan 4.420 nan 0.000 0.274 262 P C -0.924 176.545 177.300 0.281 0.000 1.246 262 P CA -0.259 62.944 63.100 0.171 0.000 0.795 262 P CB 0.202 31.959 31.700 0.094 0.000 1.006 263 F N -2.249 117.759 119.950 0.097 0.000 2.675 263 F HA 0.620 5.147 4.527 0.000 0.000 0.324 263 F C -0.842 175.077 175.800 0.198 0.000 1.106 263 F CA -1.542 56.537 58.000 0.132 0.000 0.970 263 F CB 0.524 39.637 39.000 0.188 0.000 1.385 263 F HN 0.120 nan 8.300 nan 0.000 0.489 264 S N 1.974 117.606 115.700 -0.113 0.000 2.452 264 S HA 0.431 4.901 4.470 0.000 0.000 0.284 264 S C -0.597 173.758 174.600 -0.408 0.000 1.171 264 S CA -0.429 57.663 58.200 -0.180 0.000 1.064 264 S CB 0.872 64.076 63.200 0.007 0.000 0.967 264 S HN 0.656 nan 8.310 nan 0.000 0.484 265 L N 5.794 126.745 121.223 -0.454 0.000 2.454 265 L HA 0.310 4.650 4.340 0.000 0.000 0.284 265 L C 0.525 177.308 176.870 -0.144 0.000 1.139 265 L CA 0.612 55.184 54.840 -0.447 0.000 0.911 265 L CB -0.832 40.871 42.059 -0.593 0.000 1.262 265 L HN 0.831 nan 8.230 nan 0.000 0.453 266 T N -0.015 114.509 114.554 -0.050 0.000 2.864 266 T HA 0.428 4.778 4.350 0.000 0.000 0.289 266 T C 1.047 175.723 174.700 -0.041 0.000 1.082 266 T CA -0.474 61.608 62.100 -0.030 0.000 1.009 266 T CB 1.023 69.889 68.868 -0.002 0.000 1.234 266 T HN -0.030 nan 8.240 nan 0.000 0.526 267 V N 0.833 120.685 119.914 -0.103 0.000 2.358 267 V HA -0.088 4.032 4.120 0.000 0.000 0.246 267 V C 2.540 178.544 176.094 -0.149 0.000 1.047 267 V CA 2.501 64.725 62.300 -0.126 0.000 1.035 267 V CB -1.042 30.667 31.823 -0.190 0.000 0.658 267 V HN 1.104 nan 8.190 nan 0.000 0.452 268 D N 0.516 120.762 120.400 -0.256 0.000 2.123 268 D HA -0.178 4.462 4.640 0.000 0.000 0.196 268 D C 2.075 178.442 176.300 0.111 0.000 0.992 268 D CA 1.623 55.560 54.000 -0.105 0.000 0.833 268 D CB -0.151 40.648 40.800 -0.003 0.000 0.954 268 D HN 0.368 nan 8.370 nan 0.000 0.455 269 A N 0.550 123.418 122.820 0.081 0.000 1.877 269 A HA 0.025 4.345 4.320 0.000 0.000 0.216 269 A C 2.449 179.934 177.584 -0.166 0.000 1.186 269 A CA 2.339 54.328 52.037 -0.081 0.000 0.620 269 A CB -1.268 17.802 19.000 0.115 0.000 0.822 269 A HN 0.368 nan 8.150 nan 0.000 0.443 270 A N -0.614 122.192 122.820 -0.023 0.000 1.902 270 A HA -0.017 4.303 4.320 0.000 0.000 0.217 270 A C 2.255 179.935 177.584 0.159 0.000 1.181 270 A CA 1.888 53.953 52.037 0.047 0.000 0.623 270 A CB -0.998 18.027 19.000 0.041 0.000 0.818 270 A HN 0.406 nan 8.150 nan 0.000 0.443 271 V N 0.026 120.016 119.914 0.128 0.000 2.295 271 V HA -0.261 3.859 4.120 0.000 0.000 0.246 271 V C 2.733 178.970 176.094 0.238 0.000 1.049 271 V CA 2.056 64.471 62.300 0.191 0.000 1.024 271 V CB -0.779 31.227 31.823 0.306 0.000 0.648 271 V HN 0.540 nan 8.190 nan 0.000 0.447 272 Q N -0.236 119.693 119.800 0.215 0.000 2.170 272 Q HA -0.227 4.113 4.340 0.000 0.000 0.203 272 Q C 2.241 178.354 176.000 0.188 0.000 0.976 272 Q CA 1.558 57.499 55.803 0.229 0.000 0.858 272 Q CB -0.424 28.512 28.738 0.329 0.000 0.907 272 Q HN 0.710 nan 8.270 nan 0.000 0.433 273 Q N -0.714 119.112 119.800 0.044 0.000 2.124 273 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 273 Q C 1.993 178.160 176.000 0.278 0.000 0.977 273 Q CA 0.971 56.826 55.803 0.087 0.000 0.850 273 Q CB -0.057 28.581 28.738 -0.166 0.000 0.901 273 Q HN 0.600 nan 8.270 nan 0.000 0.429 274 H N -0.042 119.146 119.070 0.196 0.000 2.363 274 H HA -0.022 4.534 4.556 0.000 0.000 0.301 274 H C 2.067 177.489 175.328 0.157 0.000 1.074 274 H CA 0.934 57.103 56.048 0.202 0.000 1.354 274 H CB 0.164 30.020 29.762 0.157 0.000 1.397 274 H HN 0.232 nan 8.280 nan 0.000 0.516 275 L N 0.392 121.778 121.223 0.271 0.000 2.362 275 L HA -0.122 4.219 4.340 0.000 0.000 0.219 275 L C 2.363 179.325 176.870 0.154 0.000 1.134 275 L CA 0.487 55.437 54.840 0.184 0.000 0.807 275 L CB -0.277 41.880 42.059 0.163 0.000 0.927 275 L HN 0.272 nan 8.230 nan 0.000 0.447 276 M N -1.196 118.518 119.600 0.189 0.000 2.476 276 M HA -0.032 4.449 4.480 0.000 0.000 0.262 276 M C 0.464 176.853 176.300 0.149 0.000 1.079 276 M CA 0.839 56.242 55.300 0.172 0.000 1.104 276 M CB 0.105 32.852 32.600 0.245 0.000 1.409 276 M HN 0.144 nan 8.290 nan 0.000 0.467 277 M N 0.790 120.464 119.600 0.123 0.000 2.233 277 M HA 0.191 4.671 4.480 0.000 0.000 0.355 277 M C 0.013 176.342 176.300 0.049 0.000 1.191 277 M CA -0.062 55.275 55.300 0.061 0.000 1.101 277 M CB 0.746 33.288 32.600 -0.097 0.000 1.592 277 M HN 0.043 nan 8.290 nan 0.000 0.461 278 E N 0.575 120.803 120.200 0.047 0.000 2.392 278 E HA 0.294 4.644 4.350 0.000 0.000 0.264 278 E C 0.925 177.543 176.600 0.029 0.000 1.024 278 E CA 0.952 57.373 56.400 0.036 0.000 0.903 278 E CB 0.497 30.218 29.700 0.034 0.000 0.963 278 E HN 0.912 nan 8.360 nan 0.000 0.432 279 G N 2.350 111.167 108.800 0.028 0.000 2.159 279 G HA2 -0.242 3.718 3.960 0.000 0.000 0.256 279 G HA3 -0.242 3.718 3.960 0.000 0.000 0.256 279 G C -0.107 174.813 174.900 0.032 0.000 0.977 279 G CA 0.171 45.286 45.100 0.025 0.000 0.652 279 G HN 0.450 nan 8.290 nan 0.000 0.531 280 V N 3.196 123.138 119.914 0.047 0.000 2.311 280 V HA 0.478 4.598 4.120 0.000 0.000 0.275 280 V C -1.349 174.787 176.094 0.070 0.000 1.022 280 V CA -1.338 61.004 62.300 0.070 0.000 0.830 280 V CB 1.464 33.349 31.823 0.102 0.000 1.012 280 V HN 0.293 nan 8.190 nan 0.000 0.452 281 P HA 0.206 nan 4.420 nan 0.000 0.280 281 P C 0.925 178.264 177.300 0.065 0.000 1.244 281 P CA -0.243 62.886 63.100 0.049 0.000 0.784 281 P CB 1.585 33.302 31.700 0.028 0.000 0.913 282 S N 2.240 117.976 115.700 0.061 0.000 2.419 282 S HA -0.149 4.321 4.470 0.000 0.000 0.233 282 S C 1.831 176.474 174.600 0.071 0.000 1.016 282 S CA 0.878 59.118 58.200 0.067 0.000 0.974 282 S CB -1.086 62.144 63.200 0.050 0.000 0.786 282 S HN 0.518 nan 8.310 nan 0.000 0.492 283 A N 1.715 124.571 122.820 0.060 0.000 2.121 283 A HA 0.068 4.388 4.320 0.000 0.000 0.218 283 A C 2.131 179.789 177.584 0.124 0.000 1.154 283 A CA 1.053 53.135 52.037 0.075 0.000 0.679 283 A CB -0.370 18.657 19.000 0.044 0.000 0.795 283 A HN 0.590 nan 8.150 nan 0.000 0.458 284 K N -0.727 119.733 120.400 0.101 0.000 2.393 284 K HA 0.273 4.594 4.320 0.000 0.000 0.193 284 K C -0.334 176.398 176.600 0.220 0.000 1.026 284 K CA -0.006 56.359 56.287 0.131 0.000 1.064 284 K CB 0.224 32.748 32.500 0.039 0.000 0.833 284 K HN 0.445 nan 8.250 nan 0.000 0.521 285 I N 1.987 122.651 120.570 0.156 0.000 2.371 285 I HA 0.070 4.240 4.170 0.000 0.000 0.290 285 I C -0.370 175.804 176.117 0.094 0.000 1.028 285 I CA -0.551 60.814 61.300 0.108 0.000 1.345 285 I CB 1.340 39.383 38.000 0.071 0.000 1.407 285 I HN -0.282 nan 8.210 nan 0.000 0.501 286 V N 7.483 127.432 119.914 0.059 0.000 2.448 286 V HA 0.337 4.457 4.120 0.000 0.000 0.295 286 V C 0.025 176.148 176.094 0.048 0.000 1.025 286 V CA -0.683 61.624 62.300 0.012 0.000 0.859 286 V CB 1.839 33.605 31.823 -0.096 0.000 0.988 286 V HN 0.697 nan 8.190 nan 0.000 0.431 287 M N 4.215 123.867 119.600 0.088 0.000 2.146 287 M HA 0.603 5.083 4.480 0.000 0.000 0.357 287 M C 0.415 176.806 176.300 0.152 0.000 1.261 287 M CA -0.139 55.230 55.300 0.115 0.000 1.106 287 M CB 0.851 33.544 32.600 0.155 0.000 1.612 287 M HN 0.779 nan 8.290 nan 0.000 0.470 288 G N 4.004 112.909 108.800 0.175 0.000 2.395 288 G HA2 0.562 4.522 3.960 0.000 0.000 0.283 288 G HA3 0.562 4.522 3.960 0.000 0.000 0.283 288 G C -0.918 174.242 174.900 0.432 0.000 1.178 288 G CA -0.542 44.758 45.100 0.333 0.000 0.837 288 G HN 0.862 nan 8.290 nan 0.000 0.518 289 V N -0.452 119.735 119.914 0.455 0.000 3.007 289 V HA 0.886 5.006 4.120 0.000 0.000 0.311 289 V C -2.748 173.504 176.094 0.263 0.000 1.120 289 V CA -2.686 59.844 62.300 0.383 0.000 0.980 289 V CB 2.649 34.584 31.823 0.186 0.000 1.033 289 V HN 0.646 nan 8.190 nan 0.000 0.429 290 P HA 0.469 nan 4.420 nan 0.000 0.292 290 P C -0.917 176.584 177.300 0.335 0.000 1.283 290 P CA -0.275 62.742 63.100 -0.137 0.000 0.835 290 P CB 1.439 32.736 31.700 -0.670 0.000 1.017 291 F N 2.088 122.078 119.950 0.066 0.000 2.750 291 F HA 0.269 4.796 4.527 0.000 0.000 0.297 291 F C 0.228 176.118 175.800 0.150 0.000 1.138 291 F CA -0.602 57.451 58.000 0.088 0.000 1.346 291 F CB -0.590 38.438 39.000 0.046 0.000 0.965 291 F HN 0.243 nan 8.300 nan 0.000 0.514 292 Y N -2.642 117.805 120.300 0.245 0.000 2.625 292 Y HA 0.859 5.409 4.550 0.001 0.000 0.338 292 Y C -0.250 175.749 175.900 0.166 0.000 1.123 292 Y CA -2.201 55.992 58.100 0.155 0.000 1.046 292 Y CB 0.917 39.445 38.460 0.114 0.000 1.299 292 Y HN -0.095 nan 8.280 nan 0.000 0.464 293 G N 0.972 109.891 108.800 0.198 0.000 2.511 293 G HA2 0.711 4.671 3.960 0.000 0.000 0.318 293 G HA3 0.711 4.671 3.960 0.000 0.000 0.318 293 G C -1.595 173.415 174.900 0.182 0.000 1.210 293 G CA -1.535 43.643 45.100 0.131 0.000 0.969 293 G HN 0.666 nan 8.290 nan 0.000 0.484 294 R N -0.198 120.373 120.500 0.118 0.000 2.494 294 R HA 0.637 4.978 4.340 0.000 0.000 0.305 294 R C -0.412 175.870 176.300 -0.031 0.000 0.959 294 R CA -0.499 55.620 56.100 0.031 0.000 0.864 294 R CB 2.129 32.433 30.300 0.008 0.000 1.159 294 R HN 0.636 nan 8.270 nan 0.000 0.446 295 A N 3.210 125.980 122.820 -0.083 0.000 2.325 295 A HA 0.804 5.124 4.320 0.000 0.000 0.333 295 A C -1.154 176.471 177.584 0.069 0.000 1.155 295 A CA -0.447 51.658 52.037 0.113 0.000 0.814 295 A CB 0.699 19.822 19.000 0.205 0.000 1.206 295 A HN 0.565 nan 8.150 nan 0.000 0.482 296 F N 0.363 120.465 119.950 0.253 0.000 2.576 296 F HA 0.578 5.105 4.527 0.000 0.000 0.313 296 F C 0.375 176.111 175.800 -0.106 0.000 1.078 296 F CA -0.510 57.529 58.000 0.065 0.000 0.921 296 F CB 2.508 41.477 39.000 -0.052 0.000 1.232 296 F HN 0.721 nan 8.300 nan 0.000 0.459 297 K N -0.248 119.994 120.400 -0.263 0.000 2.352 297 K HA 0.829 5.149 4.320 0.000 0.000 0.240 297 K C 0.350 176.846 176.600 -0.173 0.000 1.017 297 K CA -0.651 55.347 56.287 -0.481 0.000 0.851 297 K CB 2.001 33.682 32.500 -1.365 0.000 1.261 297 K HN 0.937 nan 8.250 nan 0.000 0.451 298 G N -0.045 108.671 108.800 -0.141 0.000 2.160 298 G HA2 -0.220 3.740 3.960 0.000 0.000 0.244 298 G HA3 -0.220 3.740 3.960 0.000 0.000 0.244 298 G C -0.075 174.834 174.900 0.015 0.000 1.022 298 G CA 0.117 45.183 45.100 -0.057 0.000 0.741 298 G HN 1.003 nan 8.290 nan 0.000 0.508 299 V N -1.053 118.894 119.914 0.055 0.000 2.644 299 V HA 0.879 5.000 4.120 0.000 0.000 0.295 299 V C 1.039 177.172 176.094 0.065 0.000 1.053 299 V CA -0.018 62.315 62.300 0.055 0.000 0.987 299 V CB 1.384 33.248 31.823 0.068 0.000 1.006 299 V HN 1.468 nan 8.190 nan 0.000 0.472 300 S N 3.239 118.943 115.700 0.006 0.000 2.634 300 S HA 0.459 4.929 4.470 0.000 0.000 0.254 300 S C 1.174 175.788 174.600 0.024 0.000 1.299 300 S CA 0.181 58.385 58.200 0.006 0.000 0.974 300 S CB 0.771 63.949 63.200 -0.038 0.000 1.001 300 S HN 1.614 nan 8.310 nan 0.000 0.584 301 G N -0.992 107.817 108.800 0.015 0.000 2.850 301 G HA2 0.383 4.344 3.960 0.000 0.000 0.211 301 G HA3 0.383 4.344 3.960 0.000 0.000 0.211 301 G C 1.223 176.056 174.900 -0.111 0.000 1.124 301 G CA 0.335 45.440 45.100 0.008 0.000 0.769 301 G HN 1.001 nan 8.290 nan 0.000 0.535 302 G N 1.307 110.050 108.800 -0.095 0.000 2.766 302 G HA2 -0.353 3.607 3.960 0.000 0.000 0.222 302 G HA3 -0.353 3.607 3.960 0.000 0.000 0.222 302 G C 0.993 175.812 174.900 -0.135 0.000 1.225 302 G CA 1.265 46.307 45.100 -0.097 0.000 0.784 302 G HN 0.458 nan 8.290 nan 0.000 0.631 303 N N 0.188 118.765 118.700 -0.207 0.000 2.818 303 N HA 0.407 5.147 4.740 0.000 0.000 0.301 303 N C 0.768 176.107 175.510 -0.286 0.000 1.821 303 N CA 0.683 53.609 53.050 -0.208 0.000 0.930 303 N CB 0.005 38.380 38.487 -0.186 0.000 1.263 303 N HN 0.642 nan 8.380 nan 0.000 0.487 304 G N 0.216 108.771 108.800 -0.409 0.000 2.203 304 G HA2 -0.248 3.712 3.960 0.000 0.000 0.263 304 G HA3 -0.248 3.712 3.960 0.000 0.000 0.263 304 G C 0.957 175.527 174.900 -0.549 0.000 1.012 304 G CA 0.522 45.302 45.100 -0.534 0.000 0.749 304 G HN 1.212 nan 8.290 nan 0.000 0.512 305 G N -1.912 106.503 108.800 -0.643 0.000 2.159 305 G HA2 -0.261 3.699 3.960 0.000 0.000 0.256 305 G HA3 -0.261 3.699 3.960 0.000 0.000 0.256 305 G C 0.279 174.606 174.900 -0.954 0.000 0.977 305 G CA 0.981 45.809 45.100 -0.454 0.000 0.652 305 G HN 1.134 nan 8.290 nan 0.000 0.531 306 Q N -0.797 118.396 119.800 -1.011 0.000 2.288 306 Q HA 0.487 4.828 4.340 0.000 0.000 0.254 306 Q C 0.414 175.751 176.000 -1.106 0.000 0.932 306 Q CA -0.651 54.242 55.803 -1.517 0.000 0.902 306 Q CB 0.386 28.114 28.738 -1.684 0.000 1.203 306 Q HN 0.617 nan 8.270 nan 0.000 0.415 307 Y N -1.273 118.636 120.300 -0.652 0.000 3.477 307 Y HA -0.261 4.289 4.550 0.000 0.000 0.216 307 Y C -0.031 175.669 175.900 -0.333 0.000 1.296 307 Y CA 0.672 58.525 58.100 -0.412 0.000 1.535 307 Y CB -2.415 35.873 38.460 -0.287 0.000 1.482 307 Y HN 0.492 nan 8.280 nan 0.000 0.597 308 S N -0.377 115.153 115.700 -0.285 0.000 2.648 308 S HA 0.857 5.327 4.470 0.000 0.000 0.305 308 S C 0.434 174.963 174.600 -0.118 0.000 1.094 308 S CA -0.054 58.033 58.200 -0.190 0.000 0.983 308 S CB 1.599 64.670 63.200 -0.215 0.000 1.101 308 S HN 0.569 nan 8.310 nan 0.000 0.514 309 S N 1.980 117.635 115.700 -0.074 0.000 2.624 309 S HA 0.554 5.025 4.470 0.000 0.000 0.263 309 S C -0.201 174.395 174.600 -0.006 0.000 1.287 309 S CA -0.454 57.709 58.200 -0.062 0.000 0.990 309 S CB 0.170 63.315 63.200 -0.092 0.000 0.950 309 S HN 1.057 nan 8.310 nan 0.000 0.561 310 H N -2.150 116.885 119.070 -0.058 0.000 2.948 310 H HA 0.493 5.050 4.556 0.000 0.000 0.315 310 H C -1.315 174.005 175.328 -0.013 0.000 1.360 310 H CA -0.511 55.518 56.048 -0.032 0.000 1.125 310 H CB 0.803 30.579 29.762 0.023 0.000 1.844 310 H HN 0.705 nan 8.280 nan 0.000 0.529 311 S N 0.066 115.776 115.700 0.016 0.000 2.661 311 S HA 0.217 4.687 4.470 0.000 0.000 0.245 311 S C -0.459 174.184 174.600 0.073 0.000 1.117 311 S CA -0.518 57.659 58.200 -0.039 0.000 1.091 311 S CB -0.571 62.588 63.200 -0.068 0.000 0.887 311 S HN 0.569 nan 8.310 nan 0.000 0.491 312 T N 4.527 119.288 114.554 0.344 0.000 2.780 312 T HA 0.439 4.790 4.350 0.000 0.000 0.294 312 T C -2.630 172.261 174.700 0.318 0.000 0.949 312 T CA -1.092 61.215 62.100 0.345 0.000 1.074 312 T CB 0.751 69.847 68.868 0.379 0.000 0.910 312 T HN 0.193 nan 8.240 nan 0.000 0.501 313 P HA 0.286 nan 4.420 nan 0.000 0.271 313 P C 0.767 178.236 177.300 0.281 0.000 1.216 313 P CA -0.236 63.016 63.100 0.253 0.000 0.776 313 P CB 0.549 32.385 31.700 0.227 0.000 0.881 314 G N 1.332 110.274 108.800 0.237 0.000 3.159 314 G HA2 -0.006 3.955 3.960 0.000 0.000 0.232 314 G HA3 -0.006 3.955 3.960 0.000 0.000 0.232 314 G C 0.302 175.346 174.900 0.240 0.000 1.116 314 G CA 0.021 45.286 45.100 0.274 0.000 0.767 314 G HN 0.518 nan 8.290 nan 0.000 0.547 315 E N 0.751 121.064 120.200 0.187 0.000 2.398 315 E HA 0.118 4.468 4.350 0.000 0.000 0.263 315 E C -1.132 175.565 176.600 0.161 0.000 1.046 315 E CA -0.201 56.287 56.400 0.147 0.000 0.908 315 E CB 0.524 30.283 29.700 0.099 0.000 0.963 315 E HN -0.008 nan 8.360 nan 0.000 0.431 316 D N 4.319 124.802 120.400 0.138 0.000 2.427 316 D HA 0.423 5.063 4.640 0.000 0.000 0.226 316 D C -2.598 173.777 176.300 0.125 0.000 1.076 316 D CA -0.702 53.381 54.000 0.139 0.000 0.849 316 D CB 0.944 41.827 40.800 0.138 0.000 1.052 316 D HN 0.282 nan 8.370 nan 0.000 0.515 317 P HA -0.105 nan 4.420 nan 0.000 0.452 317 P C -2.075 175.323 177.300 0.164 0.000 1.347 317 P CA -0.590 62.593 63.100 0.139 0.000 1.366 317 P CB -0.501 31.261 31.700 0.103 0.000 3.777 318 Y N 4.650 124.997 120.300 0.079 0.000 2.298 318 Y HA 0.613 5.163 4.550 0.001 0.000 0.329 318 Y C -1.882 174.065 175.900 0.079 0.000 1.293 318 Y CA -1.338 56.815 58.100 0.088 0.000 1.388 318 Y CB 0.766 39.281 38.460 0.091 0.000 1.309 318 Y HN 0.125 nan 8.280 nan 0.000 0.544 319 P HA 0.220 nan 4.420 nan 0.000 0.241 319 P C 0.059 177.085 177.300 -0.457 0.000 1.696 319 P CA 0.165 62.975 63.100 -0.484 0.000 1.175 319 P CB 1.319 32.817 31.700 -0.337 0.000 1.551 320 S N 2.675 118.280 115.700 -0.158 0.000 2.636 320 S HA -0.309 4.161 4.470 0.000 0.000 0.339 320 S C 1.018 175.412 174.600 -0.343 0.000 1.429 320 S CA 2.432 60.545 58.200 -0.146 0.000 1.603 320 S CB -2.644 60.502 63.200 -0.089 0.000 1.984 320 S HN 0.692 nan 8.310 nan 0.000 0.542 321 T N 2.240 116.665 114.554 -0.215 0.000 2.647 321 T HA 0.187 4.537 4.350 0.000 0.000 0.238 321 T C -0.013 174.616 174.700 -0.120 0.000 1.019 321 T CA 0.936 62.968 62.100 -0.112 0.000 1.151 321 T CB -1.383 67.464 68.868 -0.034 0.000 1.026 321 T HN 1.404 nan 8.240 nan 0.000 0.463 322 D N 0.579 120.923 120.400 -0.093 0.000 4.807 322 D HA -0.228 4.413 4.640 0.000 0.000 0.089 322 D C -0.887 175.276 176.300 -0.228 0.000 0.920 322 D CA 0.501 54.464 54.000 -0.061 0.000 0.535 322 D CB -0.521 40.392 40.800 0.189 0.000 1.119 322 D HN 0.655 nan 8.370 nan 0.000 0.589 323 Y N 2.101 122.356 120.300 -0.075 0.000 2.636 323 Y HA 0.154 4.705 4.550 0.000 0.000 0.341 323 Y C 1.002 176.738 175.900 -0.273 0.000 1.169 323 Y CA -0.927 56.977 58.100 -0.327 0.000 1.498 323 Y CB -0.068 38.256 38.460 -0.227 0.000 1.362 323 Y HN 0.641 nan 8.280 nan 0.000 0.494 324 W N 1.409 122.739 121.300 0.051 0.000 3.077 324 W HA 0.097 4.757 4.660 0.000 0.000 0.245 324 W C -0.427 176.083 176.519 -0.014 0.000 1.316 324 W CA -0.380 56.972 57.345 0.011 0.000 1.537 324 W CB -0.098 29.372 29.460 0.018 0.000 1.131 324 W HN 0.325 nan 8.180 nan 0.000 0.695 325 L N 3.098 124.279 121.223 -0.070 0.000 2.385 325 L HA 0.229 4.569 4.340 0.000 0.000 0.285 325 L C 0.284 177.160 176.870 0.011 0.000 1.125 325 L CA -0.726 54.152 54.840 0.063 0.000 0.890 325 L CB 0.232 42.175 42.059 -0.193 0.000 1.251 325 L HN -0.229 nan 8.230 nan 0.000 0.445 326 V N 6.054 126.001 119.914 0.054 0.000 2.584 326 V HA 0.216 4.337 4.120 0.000 0.000 0.303 326 V C 1.548 177.516 176.094 -0.211 0.000 1.035 326 V CA 1.158 63.419 62.300 -0.065 0.000 1.172 326 V CB 0.022 31.760 31.823 -0.142 0.000 0.896 326 V HN 1.070 nan 8.190 nan 0.000 0.486 327 G N 3.164 111.692 108.800 -0.453 0.000 2.179 327 G HA2 -0.280 3.680 3.960 0.000 0.000 0.260 327 G HA3 -0.280 3.680 3.960 0.000 0.000 0.260 327 G C 0.429 175.049 174.900 -0.466 0.000 0.977 327 G CA 0.025 44.572 45.100 -0.923 0.000 0.641 327 G HN 1.052 nan 8.290 nan 0.000 0.533 328 C N 2.025 121.152 119.300 -0.289 0.000 2.158 328 C HA 0.606 5.067 4.460 0.000 0.000 0.350 328 C C 1.797 176.668 174.990 -0.198 0.000 1.064 328 C CA 0.051 58.926 59.018 -0.239 0.000 1.507 328 C CB -0.911 26.685 27.740 -0.239 0.000 1.934 328 C HN 0.537 nan 8.230 nan 0.000 0.479 329 E N 1.825 121.927 120.200 -0.162 0.000 2.072 329 E HA -0.179 4.171 4.350 0.000 0.000 0.191 329 E C 1.647 178.153 176.600 -0.157 0.000 0.985 329 E CA 1.208 57.528 56.400 -0.133 0.000 0.801 329 E CB 0.073 29.722 29.700 -0.086 0.000 0.750 329 E HN 0.798 nan 8.360 nan 0.000 0.452 330 E N 0.464 120.574 120.200 -0.149 0.000 2.171 330 E HA -0.196 4.155 4.350 0.000 0.000 0.197 330 E C 2.173 178.652 176.600 -0.201 0.000 0.997 330 E CA 1.138 57.450 56.400 -0.145 0.000 0.810 330 E CB -0.210 29.417 29.700 -0.121 0.000 0.738 330 E HN 0.275 nan 8.360 nan 0.000 0.467 331 C N 0.043 119.195 119.300 -0.248 0.000 2.425 331 C HA -0.090 4.370 4.460 0.000 0.000 0.277 331 C C 2.697 177.380 174.990 -0.512 0.000 1.280 331 C CA 0.241 59.058 59.018 -0.335 0.000 1.744 331 C CB -0.703 26.834 27.740 -0.339 0.000 1.989 331 C HN 0.265 nan 8.230 nan 0.000 0.491 332 V N 2.269 121.891 119.914 -0.487 0.000 2.307 332 V HA -0.218 3.902 4.120 0.000 0.000 0.245 332 V C 2.669 178.471 176.094 -0.488 0.000 1.045 332 V CA 2.410 64.310 62.300 -0.667 0.000 1.024 332 V CB -0.750 30.875 31.823 -0.329 0.000 0.651 332 V HN 0.638 nan 8.190 nan 0.000 0.449 333 R N 0.720 121.050 120.500 -0.283 0.000 2.096 333 R HA -0.115 4.225 4.340 0.000 0.000 0.235 333 R C 1.462 177.656 176.300 -0.177 0.000 1.127 333 R CA 2.052 58.040 56.100 -0.186 0.000 0.968 333 R CB -0.617 29.613 30.300 -0.118 0.000 0.861 333 R HN 0.386 nan 8.270 nan 0.000 0.440 334 D N 0.900 121.179 120.400 -0.201 0.000 2.340 334 D HA 0.029 4.670 4.640 0.000 0.000 0.220 334 D C -0.225 175.976 176.300 -0.165 0.000 1.039 334 D CA 0.247 54.160 54.000 -0.145 0.000 0.866 334 D CB 0.191 40.921 40.800 -0.117 0.000 0.913 334 D HN 0.241 nan 8.370 nan 0.000 0.523 335 K N 1.156 121.371 120.400 -0.308 0.000 3.077 335 K HA -0.187 4.133 4.320 0.000 0.000 0.264 335 K C -0.531 176.056 176.600 -0.021 0.000 1.008 335 K CA 0.598 56.730 56.287 -0.258 0.000 0.740 335 K CB -0.941 31.574 32.500 0.024 0.000 1.273 335 K HN 0.102 nan 8.250 nan 0.000 0.477 336 D N -0.883 119.377 120.400 -0.235 0.000 2.738 336 D HA 0.115 4.755 4.640 0.000 0.000 0.218 336 D C -2.369 173.631 176.300 -0.499 0.000 1.345 336 D CA -1.608 52.182 54.000 -0.349 0.000 0.943 336 D CB 1.598 42.286 40.800 -0.188 0.000 1.514 336 D HN -0.145 nan 8.370 nan 0.000 0.585 337 P HA 0.157 nan 4.420 nan 0.000 0.255 337 P C 0.668 177.509 177.300 -0.765 0.000 1.248 337 P CA -0.007 62.568 63.100 -0.874 0.000 0.807 337 P CB 0.494 31.305 31.700 -1.482 0.000 1.150 338 R N -0.474 119.717 120.500 -0.516 0.000 2.276 338 R HA 0.290 4.630 4.340 0.000 0.000 0.196 338 R C 0.743 176.949 176.300 -0.157 0.000 0.961 338 R CA 0.428 56.382 56.100 -0.243 0.000 1.024 338 R CB 0.027 30.248 30.300 -0.132 0.000 0.940 338 R HN 0.245 nan 8.270 nan 0.000 0.480 339 I N -0.072 120.405 120.570 -0.155 0.000 2.619 339 I HA 0.456 4.627 4.170 0.000 0.000 0.292 339 I C -1.129 174.940 176.117 -0.081 0.000 1.100 339 I CA -0.925 60.342 61.300 -0.054 0.000 1.043 339 I CB 2.370 40.338 38.000 -0.054 0.000 1.239 339 I HN -0.120 nan 8.210 nan 0.000 0.420 340 A N 3.608 126.417 122.820 -0.019 0.000 2.427 340 A HA 0.715 5.036 4.320 0.000 0.000 0.298 340 A C -0.284 177.308 177.584 0.014 0.000 1.036 340 A CA -0.589 51.407 52.037 -0.068 0.000 0.701 340 A CB 1.583 20.486 19.000 -0.161 0.000 1.250 340 A HN 0.729 nan 8.150 nan 0.000 0.412 341 S N 1.442 117.138 115.700 -0.006 0.000 2.576 341 S HA 0.161 4.631 4.470 0.000 0.000 0.272 341 S C 0.887 175.486 174.600 -0.003 0.000 1.352 341 S CA 0.395 58.618 58.200 0.039 0.000 1.021 341 S CB 0.092 63.276 63.200 -0.027 0.000 0.887 341 S HN 1.211 nan 8.310 nan 0.000 0.542 342 Y N 2.498 122.770 120.300 -0.047 0.000 2.165 342 Y HA -0.173 4.378 4.550 0.001 0.000 0.286 342 Y C 2.690 178.511 175.900 -0.132 0.000 1.155 342 Y CA 2.120 60.153 58.100 -0.112 0.000 1.164 342 Y CB -0.364 38.006 38.460 -0.150 0.000 0.978 342 Y HN 0.853 nan 8.280 nan 0.000 0.513 343 R N 0.043 120.458 120.500 -0.143 0.000 2.096 343 R HA -0.305 4.035 4.340 0.000 0.000 0.240 343 R C 2.356 178.500 176.300 -0.259 0.000 1.139 343 R CA 2.228 58.216 56.100 -0.187 0.000 0.952 343 R CB -0.439 29.833 30.300 -0.047 0.000 0.854 343 R HN 0.434 nan 8.270 nan 0.000 0.436 344 Q N 0.585 120.258 119.800 -0.211 0.000 2.119 344 Q HA -0.072 4.268 4.340 0.000 0.000 0.201 344 Q C 2.079 177.897 176.000 -0.304 0.000 0.972 344 Q CA 1.552 57.227 55.803 -0.214 0.000 0.847 344 Q CB -0.189 28.443 28.738 -0.176 0.000 0.903 344 Q HN 0.495 nan 8.270 nan 0.000 0.433 345 L N 0.049 121.031 121.223 -0.403 0.000 2.046 345 L HA -0.159 4.182 4.340 0.000 0.000 0.208 345 L C 2.500 179.068 176.870 -0.504 0.000 1.077 345 L CA 1.687 56.216 54.840 -0.517 0.000 0.747 345 L CB -0.504 41.155 42.059 -0.667 0.000 0.896 345 L HN 0.391 nan 8.230 nan 0.000 0.432 346 E N 0.114 119.949 120.200 -0.608 0.000 2.058 346 E HA -0.292 4.058 4.350 0.000 0.000 0.194 346 E C 2.217 178.669 176.600 -0.247 0.000 0.997 346 E CA 1.526 57.639 56.400 -0.478 0.000 0.801 346 E CB 0.037 29.387 29.700 -0.583 0.000 0.746 346 E HN 0.486 nan 8.360 nan 0.000 0.450 347 Q N -0.380 119.298 119.800 -0.204 0.000 2.124 347 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 347 Q C 2.192 178.202 176.000 0.018 0.000 0.977 347 Q CA 1.760 57.517 55.803 -0.077 0.000 0.850 347 Q CB -0.079 28.623 28.738 -0.059 0.000 0.901 347 Q HN 0.385 nan 8.270 nan 0.000 0.429 348 M N -0.163 119.401 119.600 -0.060 0.000 2.175 348 M HA -0.145 4.335 4.480 0.000 0.000 0.264 348 M C 1.966 178.362 176.300 0.161 0.000 1.063 348 M CA 1.183 56.513 55.300 0.049 0.000 1.119 348 M CB -0.057 32.370 32.600 -0.288 0.000 1.377 348 M HN 0.218 nan 8.290 nan 0.000 0.415 349 L N -0.291 120.916 121.223 -0.026 0.000 2.141 349 L HA -0.209 4.132 4.340 0.000 0.000 0.209 349 L C 2.271 179.167 176.870 0.044 0.000 1.094 349 L CA 1.298 56.148 54.840 0.016 0.000 0.763 349 L CB -0.251 41.770 42.059 -0.064 0.000 0.908 349 L HN 0.393 nan 8.230 nan 0.000 0.437 350 Q N -0.751 119.061 119.800 0.020 0.000 2.331 350 Q HA 0.046 4.386 4.340 0.000 0.000 0.203 350 Q C 1.078 177.074 176.000 -0.007 0.000 0.944 350 Q CA 0.411 56.216 55.803 0.003 0.000 0.892 350 Q CB 0.061 28.790 28.738 -0.015 0.000 0.983 350 Q HN 0.460 nan 8.270 nan 0.000 0.482 351 G N 0.481 109.298 108.800 0.029 0.000 2.580 351 G HA2 0.127 4.088 3.960 0.000 0.000 0.278 351 G HA3 0.127 4.088 3.960 0.000 0.000 0.278 351 G C -0.590 174.148 174.900 -0.270 0.000 1.212 351 G CA -0.611 44.365 45.100 -0.207 0.000 0.939 351 G HN 0.155 nan 8.290 nan 0.000 0.513 352 N N 0.082 118.494 118.700 -0.479 0.000 3.301 352 N HA 0.229 4.969 4.740 0.000 0.000 0.289 352 N C -0.444 174.908 175.510 -0.264 0.000 1.343 352 N CA -0.215 52.679 53.050 -0.261 0.000 1.136 352 N CB 0.339 38.711 38.487 -0.191 0.000 1.402 352 N HN 0.462 nan 8.380 nan 0.000 0.516 353 Y N -0.579 119.757 120.300 0.059 0.000 2.458 353 Y HA 0.258 4.808 4.550 0.000 0.000 0.254 353 Y C 1.862 177.750 175.900 -0.020 0.000 1.120 353 Y CA 0.030 58.169 58.100 0.065 0.000 1.282 353 Y CB 0.839 39.407 38.460 0.181 0.000 1.109 353 Y HN 0.423 nan 8.280 nan 0.000 0.526 354 G N -1.319 107.498 108.800 0.028 0.000 2.179 354 G HA2 -0.272 3.688 3.960 0.000 0.000 0.220 354 G HA3 -0.272 3.688 3.960 0.000 0.000 0.220 354 G C -0.264 174.396 174.900 -0.399 0.000 0.990 354 G CA -0.583 44.355 45.100 -0.269 0.000 0.646 354 G HN 0.231 nan 8.290 nan 0.000 0.517 355 Y N 0.988 121.299 120.300 0.017 0.000 2.336 355 Y HA 0.560 5.111 4.550 0.000 0.000 0.331 355 Y C 1.082 176.970 175.900 -0.020 0.000 1.211 355 Y CA 0.184 58.293 58.100 0.016 0.000 1.346 355 Y CB 0.730 39.236 38.460 0.076 0.000 1.271 355 Y HN 0.231 nan 8.280 nan 0.000 0.538 356 Q N 2.277 122.173 119.800 0.160 0.000 2.340 356 Q HA 0.373 4.713 4.340 0.000 0.000 0.268 356 Q C -0.680 175.384 176.000 0.107 0.000 1.031 356 Q CA -1.083 54.783 55.803 0.105 0.000 0.804 356 Q CB 2.263 31.058 28.738 0.095 0.000 1.286 356 Q HN 0.444 nan 8.270 nan 0.000 0.448 357 R N 3.747 124.289 120.500 0.070 0.000 2.202 357 R HA 0.399 4.740 4.340 0.000 0.000 0.334 357 R C -1.236 175.049 176.300 -0.026 0.000 1.036 357 R CA -0.041 56.095 56.100 0.060 0.000 0.878 357 R CB 0.154 30.517 30.300 0.105 0.000 1.067 357 R HN 0.625 nan 8.270 nan 0.000 0.457 358 L N 3.438 124.524 121.223 -0.228 0.000 2.304 358 L HA 0.596 4.937 4.340 0.000 0.000 0.268 358 L C -0.411 176.385 176.870 -0.124 0.000 1.010 358 L CA -0.928 53.709 54.840 -0.338 0.000 0.813 358 L CB 1.993 43.568 42.059 -0.807 0.000 1.315 358 L HN 0.538 nan 8.230 nan 0.000 0.445 359 W N 1.817 123.054 121.300 -0.105 0.000 2.785 359 W HA 0.337 4.997 4.660 0.000 0.000 0.333 359 W C -1.407 175.239 176.519 0.211 0.000 1.062 359 W CA -0.588 56.798 57.345 0.068 0.000 1.233 359 W CB 1.953 31.423 29.460 0.017 0.000 1.413 359 W HN 0.430 nan 8.180 nan 0.000 0.489 360 N N 3.808 122.270 118.700 -0.397 0.000 2.469 360 N HA 0.041 4.782 4.740 0.000 0.000 0.253 360 N C -0.066 174.983 175.510 -0.768 0.000 0.970 360 N CA 0.163 52.985 53.050 -0.379 0.000 0.940 360 N CB 1.324 39.563 38.487 -0.413 0.000 1.128 360 N HN 0.453 nan 8.380 nan 0.000 0.503 361 D N 2.278 122.492 120.400 -0.309 0.000 2.363 361 D HA 0.038 4.678 4.640 0.000 0.000 0.220 361 D C 1.101 177.311 176.300 -0.150 0.000 0.994 361 D CA 0.866 54.778 54.000 -0.146 0.000 0.890 361 D CB 0.609 41.504 40.800 0.158 0.000 0.906 361 D HN 0.402 nan 8.370 nan 0.000 0.530 362 K N -0.894 119.405 120.400 -0.168 0.000 2.099 362 K HA 0.025 4.345 4.320 0.000 0.000 0.203 362 K C 2.108 178.638 176.600 -0.117 0.000 1.047 362 K CA 1.280 57.511 56.287 -0.092 0.000 0.963 362 K CB -0.816 31.654 32.500 -0.051 0.000 0.759 362 K HN 0.253 nan 8.250 nan 0.000 0.451 363 T N -0.603 113.786 114.554 -0.274 0.000 3.055 363 T HA 0.028 4.379 4.350 0.000 0.000 0.265 363 T C 0.439 174.868 174.700 -0.452 0.000 1.111 363 T CA 0.108 62.008 62.100 -0.332 0.000 1.118 363 T CB -0.043 68.510 68.868 -0.524 0.000 0.909 363 T HN -0.002 nan 8.240 nan 0.000 0.501 364 K N 2.195 122.199 120.400 -0.660 0.000 3.150 364 K HA -0.119 4.201 4.320 0.000 0.000 0.267 364 K C 0.012 176.032 176.600 -0.967 0.000 1.028 364 K CA 1.268 57.024 56.287 -0.886 0.000 0.753 364 K CB -2.807 29.322 32.500 -0.618 0.000 1.288 364 K HN 0.904 nan 8.250 nan 0.000 0.473 365 T N -2.527 111.311 114.554 -1.193 0.000 2.903 365 T HA 0.714 5.065 4.350 0.000 0.000 0.299 365 T C -2.933 171.395 174.700 -0.620 0.000 1.093 365 T CA -1.780 59.878 62.100 -0.736 0.000 1.002 365 T CB 3.791 72.425 68.868 -0.390 0.000 1.127 365 T HN -0.156 nan 8.240 nan 0.000 0.488 366 P HA 0.557 nan 4.420 nan 0.000 0.280 366 P C -1.637 175.754 177.300 0.152 0.000 1.272 366 P CA -0.513 62.621 63.100 0.056 0.000 0.819 366 P CB 0.654 32.277 31.700 -0.128 0.000 1.122 367 Y N -2.353 118.020 120.300 0.122 0.000 2.604 367 Y HA 0.623 5.173 4.550 0.000 0.000 0.331 367 Y C -1.863 174.190 175.900 0.255 0.000 1.158 367 Y CA -1.409 56.783 58.100 0.154 0.000 1.056 367 Y CB 0.471 38.958 38.460 0.046 0.000 1.330 367 Y HN 0.093 nan 8.280 nan 0.000 0.457 368 L N 3.186 124.553 121.223 0.240 0.000 2.325 368 L HA 0.540 4.880 4.340 0.000 0.000 0.278 368 L C -1.361 175.737 176.870 0.380 0.000 1.023 368 L CA -1.096 53.864 54.840 0.200 0.000 0.811 368 L CB 1.846 43.938 42.059 0.054 0.000 1.249 368 L HN 0.770 nan 8.230 nan 0.000 0.431 369 Y N 1.673 122.133 120.300 0.266 0.000 2.391 369 Y HA 0.373 4.923 4.550 0.000 0.000 0.341 369 Y C -1.026 175.038 175.900 0.274 0.000 0.965 369 Y CA -1.102 57.195 58.100 0.329 0.000 1.067 369 Y CB 1.375 40.005 38.460 0.282 0.000 1.199 369 Y HN 0.553 nan 8.280 nan 0.000 0.450 370 H N 5.086 123.906 119.070 -0.416 0.000 2.638 370 H HA 0.586 5.143 4.556 0.000 0.000 0.303 370 H C 0.351 175.162 175.328 -0.862 0.000 1.034 370 H CA 0.190 55.909 56.048 -0.548 0.000 1.225 370 H CB 1.417 30.923 29.762 -0.427 0.000 1.394 370 H HN 0.874 nan 8.280 nan 0.000 0.477 371 A N 3.499 125.755 122.820 -0.940 0.000 1.902 371 A HA -0.194 4.126 4.320 0.000 0.000 0.217 371 A C 1.990 179.468 177.584 -0.176 0.000 1.181 371 A CA 1.552 53.248 52.037 -0.568 0.000 0.623 371 A CB -0.212 18.629 19.000 -0.265 0.000 0.818 371 A HN 0.835 nan 8.150 nan 0.000 0.443 372 Q N -0.248 119.465 119.800 -0.144 0.000 2.016 372 Q HA -0.127 4.213 4.340 0.000 0.000 0.200 372 Q C 1.478 177.555 176.000 0.128 0.000 0.978 372 Q CA 1.782 57.603 55.803 0.030 0.000 0.833 372 Q CB -0.190 28.576 28.738 0.047 0.000 0.895 372 Q HN 0.641 nan 8.270 nan 0.000 0.427 373 N N -0.817 118.062 118.700 0.298 0.000 2.412 373 N HA 0.133 4.873 4.740 0.000 0.000 0.184 373 N C -0.194 175.320 175.510 0.006 0.000 1.101 373 N CA 0.809 53.865 53.050 0.010 0.000 0.881 373 N CB 0.907 39.218 38.487 -0.292 0.000 0.969 373 N HN 0.340 nan 8.380 nan 0.000 0.459 374 G N 0.643 109.477 108.800 0.057 0.000 2.385 374 G HA2 -0.212 3.748 3.960 0.000 0.000 0.294 374 G HA3 -0.212 3.748 3.960 0.000 0.000 0.294 374 G C -0.971 174.005 174.900 0.126 0.000 1.070 374 G CA -0.223 44.936 45.100 0.099 0.000 1.172 374 G HN 0.106 nan 8.290 nan 0.000 0.516 375 L N 0.026 121.360 121.223 0.184 0.000 2.362 375 L HA 0.916 5.256 4.340 0.000 0.000 0.271 375 L C -0.202 176.975 176.870 0.511 0.000 1.002 375 L CA -1.706 53.308 54.840 0.289 0.000 0.818 375 L CB 1.836 44.062 42.059 0.279 0.000 1.298 375 L HN 0.294 nan 8.230 nan 0.000 0.420 376 F N 2.857 123.009 119.950 0.336 0.000 2.556 376 F HA 0.809 5.336 4.527 0.000 0.000 0.314 376 F C -1.161 174.865 175.800 0.376 0.000 1.106 376 F CA -0.743 57.466 58.000 0.348 0.000 0.911 376 F CB 1.777 40.875 39.000 0.163 0.000 1.190 376 F HN 0.105 nan 8.300 nan 0.000 0.448 377 V N 4.171 123.850 119.914 -0.393 0.000 2.577 377 V HA 0.465 4.585 4.120 0.000 0.000 0.303 377 V C -0.505 175.320 176.094 -0.448 0.000 1.042 377 V CA -0.734 61.406 62.300 -0.267 0.000 0.872 377 V CB 1.760 33.500 31.823 -0.138 0.000 0.998 377 V HN 0.854 nan 8.190 nan 0.000 0.423 378 T N 5.039 119.460 114.554 -0.222 0.000 2.794 378 T HA 0.785 5.135 4.350 0.000 0.000 0.280 378 T C -0.932 173.892 174.700 0.207 0.000 0.987 378 T CA -0.186 61.892 62.100 -0.037 0.000 0.993 378 T CB 0.669 69.560 68.868 0.037 0.000 0.939 378 T HN 0.861 nan 8.240 nan 0.000 0.449 379 Y N 1.430 121.724 120.300 -0.011 0.000 2.853 379 Y HA 0.810 5.360 4.550 0.001 0.000 0.326 379 Y C -1.625 174.271 175.900 -0.007 0.000 1.384 379 Y CA -1.648 56.436 58.100 -0.026 0.000 1.077 379 Y CB 0.436 38.885 38.460 -0.019 0.000 1.395 379 Y HN 0.510 nan 8.280 nan 0.000 0.451 380 D N 0.319 120.620 120.400 -0.166 0.000 2.419 380 D HA 0.532 5.172 4.640 0.000 0.000 0.234 380 D C -1.432 174.545 176.300 -0.539 0.000 1.014 380 D CA -0.132 53.661 54.000 -0.344 0.000 0.919 380 D CB 1.955 42.694 40.800 -0.102 0.000 1.366 380 D HN 0.734 nan 8.370 nan 0.000 0.490 381 D N -0.862 119.087 120.400 -0.751 0.000 2.752 381 D HA 0.383 5.023 4.640 0.000 0.000 0.313 381 D C 0.235 176.003 176.300 -0.886 0.000 1.225 381 D CA -0.773 52.765 54.000 -0.770 0.000 0.976 381 D CB 0.414 41.094 40.800 -0.200 0.000 1.443 381 D HN 0.286 nan 8.370 nan 0.000 0.515 382 A N -0.527 121.964 122.820 -0.548 0.000 2.070 382 A HA -0.154 4.167 4.320 0.000 0.000 0.220 382 A C 1.839 179.418 177.584 -0.009 0.000 1.159 382 A CA 2.067 53.964 52.037 -0.233 0.000 0.656 382 A CB -0.862 18.066 19.000 -0.121 0.000 0.800 382 A HN 0.665 nan 8.150 nan 0.000 0.453 383 E N 0.207 120.370 120.200 -0.061 0.000 2.060 383 E HA -0.123 4.227 4.350 0.000 0.000 0.189 383 E C 2.188 178.944 176.600 0.259 0.000 0.974 383 E CA 1.133 57.542 56.400 0.016 0.000 0.808 383 E CB -0.068 29.541 29.700 -0.151 0.000 0.768 383 E HN 0.702 nan 8.360 nan 0.000 0.453 384 S N 0.105 115.986 115.700 0.301 0.000 2.399 384 S HA -0.129 4.341 4.470 0.000 0.000 0.231 384 S C 1.762 176.624 174.600 0.437 0.000 1.022 384 S CA 0.596 59.058 58.200 0.437 0.000 0.983 384 S CB -0.499 62.791 63.200 0.149 0.000 0.803 384 S HN 0.210 nan 8.310 nan 0.000 0.480 385 F N 2.533 122.575 119.950 0.154 0.000 2.269 385 F HA 0.148 4.675 4.527 0.000 0.000 0.301 385 F C 2.269 178.087 175.800 0.030 0.000 1.082 385 F CA 0.115 58.196 58.000 0.136 0.000 1.360 385 F CB -0.802 38.293 39.000 0.159 0.000 1.041 385 F HN 0.275 nan 8.300 nan 0.000 0.512 386 K N -0.754 119.614 120.400 -0.053 0.000 2.063 386 K HA -0.212 4.108 4.320 0.000 0.000 0.208 386 K C 1.974 178.382 176.600 -0.320 0.000 1.048 386 K CA 1.844 57.744 56.287 -0.646 0.000 0.928 386 K CB -0.500 31.546 32.500 -0.756 0.000 0.713 386 K HN 0.246 nan 8.250 nan 0.000 0.442 387 Y N 1.174 121.518 120.300 0.074 0.000 2.263 387 Y HA -0.095 4.456 4.550 0.000 0.000 0.292 387 Y C 2.160 178.146 175.900 0.143 0.000 1.130 387 Y CA 1.048 59.228 58.100 0.134 0.000 1.179 387 Y CB -0.072 38.483 38.460 0.159 0.000 0.998 387 Y HN -0.053 nan 8.280 nan 0.000 0.532 388 K N -0.027 120.540 120.400 0.278 0.000 2.097 388 K HA -0.120 4.200 4.320 0.000 0.000 0.205 388 K C 2.380 179.131 176.600 0.251 0.000 1.050 388 K CA 1.069 57.484 56.287 0.213 0.000 0.938 388 K CB -0.341 32.268 32.500 0.182 0.000 0.718 388 K HN 0.269 nan 8.250 nan 0.000 0.442 389 A N 1.805 124.727 122.820 0.170 0.000 1.902 389 A HA -0.210 4.110 4.320 0.000 0.000 0.217 389 A C 2.051 179.807 177.584 0.286 0.000 1.181 389 A CA 1.647 53.782 52.037 0.163 0.000 0.623 389 A CB -0.336 18.614 19.000 -0.082 0.000 0.818 389 A HN 0.216 nan 8.150 nan 0.000 0.443 390 K N -1.913 118.613 120.400 0.210 0.000 2.097 390 K HA -0.176 4.144 4.320 0.000 0.000 0.205 390 K C 1.881 178.645 176.600 0.273 0.000 1.050 390 K CA 1.490 57.911 56.287 0.223 0.000 0.938 390 K CB -0.363 32.235 32.500 0.163 0.000 0.718 390 K HN 0.515 nan 8.250 nan 0.000 0.442 391 Y N 1.357 121.773 120.300 0.193 0.000 2.145 391 Y HA -0.202 4.348 4.550 0.001 0.000 0.286 391 Y C 1.730 177.735 175.900 0.176 0.000 1.145 391 Y CA 1.718 59.930 58.100 0.188 0.000 1.148 391 Y CB -0.086 38.456 38.460 0.137 0.000 0.981 391 Y HN 0.011 nan 8.280 nan 0.000 0.507 392 I N 0.175 120.937 120.570 0.319 0.000 2.208 392 I HA -0.364 3.806 4.170 0.000 0.000 0.245 392 I C 2.272 178.464 176.117 0.124 0.000 1.097 392 I CA 1.769 63.209 61.300 0.233 0.000 1.363 392 I CB -0.369 37.856 38.000 0.374 0.000 1.051 392 I HN 0.224 nan 8.210 nan 0.000 0.413 393 K N 0.257 120.766 120.400 0.181 0.000 2.062 393 K HA -0.167 4.153 4.320 0.000 0.000 0.205 393 K C 2.156 178.787 176.600 0.052 0.000 1.051 393 K CA 1.178 57.537 56.287 0.119 0.000 0.941 393 K CB -0.197 32.413 32.500 0.183 0.000 0.719 393 K HN 0.388 nan 8.250 nan 0.000 0.440 394 Q N 0.550 120.371 119.800 0.034 0.000 2.084 394 Q HA -0.131 4.209 4.340 0.000 0.000 0.202 394 Q C 1.837 177.792 176.000 -0.074 0.000 0.978 394 Q CA 1.075 56.872 55.803 -0.010 0.000 0.844 394 Q CB 0.127 28.863 28.738 -0.004 0.000 0.898 394 Q HN 0.264 nan 8.270 nan 0.000 0.426 395 Q N 0.127 119.822 119.800 -0.175 0.000 2.444 395 Q HA -0.010 4.330 4.340 0.000 0.000 0.206 395 Q C -0.228 175.735 176.000 -0.063 0.000 0.948 395 Q CA 0.269 55.967 55.803 -0.175 0.000 0.946 395 Q CB 0.508 29.029 28.738 -0.361 0.000 1.027 395 Q HN 0.406 nan 8.270 nan 0.000 0.513 396 Q N 0.417 120.199 119.800 -0.030 0.000 2.468 396 Q HA -0.191 4.149 4.340 0.000 0.000 0.289 396 Q C -0.515 175.492 176.000 0.012 0.000 1.299 396 Q CA 0.303 56.105 55.803 -0.002 0.000 0.838 396 Q CB -2.015 26.726 28.738 0.004 0.000 1.195 396 Q HN 0.378 nan 8.270 nan 0.000 0.456 397 L N -1.759 119.474 121.223 0.016 0.000 2.479 397 L HA 0.303 4.643 4.340 0.000 0.000 0.249 397 L C 1.798 178.686 176.870 0.030 0.000 1.178 397 L CA 0.436 55.302 54.840 0.043 0.000 0.811 397 L CB 0.137 42.239 42.059 0.070 0.000 1.187 397 L HN 0.275 nan 8.230 nan 0.000 0.480 398 G N -1.196 107.643 108.800 0.065 0.000 2.623 398 G HA2 0.408 4.369 3.960 0.000 0.000 0.214 398 G HA3 0.408 4.369 3.960 0.000 0.000 0.214 398 G C 0.494 175.348 174.900 -0.077 0.000 1.138 398 G CA 0.714 45.866 45.100 0.086 0.000 0.794 398 G HN 0.940 nan 8.290 nan 0.000 0.535 399 G N -1.919 106.816 108.800 -0.109 0.000 2.356 399 G HA2 0.368 4.328 3.960 0.000 0.000 0.266 399 G HA3 0.368 4.328 3.960 0.000 0.000 0.266 399 G C -1.790 173.119 174.900 0.015 0.000 1.312 399 G CA 0.118 45.117 45.100 -0.168 0.000 0.922 399 G HN 0.767 nan 8.290 nan 0.000 0.480 400 V N 1.152 121.128 119.914 0.104 0.000 2.914 400 V HA 0.902 5.023 4.120 0.000 0.000 0.314 400 V C -0.547 175.624 176.094 0.128 0.000 1.084 400 V CA -0.726 61.684 62.300 0.183 0.000 0.963 400 V CB 1.836 33.845 31.823 0.310 0.000 1.025 400 V HN 1.164 nan 8.190 nan 0.000 0.432 401 M N 6.312 126.007 119.600 0.158 0.000 2.572 401 M HA 0.674 5.154 4.480 0.000 0.000 0.299 401 M C -2.144 174.320 176.300 0.273 0.000 1.205 401 M CA -0.527 54.852 55.300 0.132 0.000 0.876 401 M CB 2.046 34.727 32.600 0.134 0.000 1.728 401 M HN 0.743 nan 8.290 nan 0.000 0.458 402 F N 1.544 121.541 119.950 0.079 0.000 2.601 402 F HA 0.753 5.280 4.527 0.000 0.000 0.309 402 F C -2.051 173.764 175.800 0.026 0.000 1.089 402 F CA -1.093 56.864 58.000 -0.073 0.000 0.940 402 F CB 1.188 39.806 39.000 -0.637 0.000 1.273 402 F HN 0.687 nan 8.300 nan 0.000 0.450 403 W N 5.265 126.564 121.300 -0.002 0.000 2.411 403 W HA 0.562 5.222 4.660 0.000 0.000 0.317 403 W C -1.907 174.675 176.519 0.105 0.000 1.030 403 W CA -0.677 56.669 57.345 0.002 0.000 1.239 403 W CB 1.497 30.872 29.460 -0.141 0.000 1.304 403 W HN 1.016 nan 8.180 nan 0.000 0.437 404 H N 2.148 120.983 119.070 -0.392 0.000 2.985 404 H HA 0.365 4.922 4.556 0.000 0.000 0.360 404 H C 0.566 175.754 175.328 -0.234 0.000 1.221 404 H CA -0.938 54.757 56.048 -0.588 0.000 1.121 404 H CB 1.272 30.216 29.762 -1.362 0.000 1.854 404 H HN 0.293 nan 8.280 nan 0.000 0.551 405 L N 0.780 122.022 121.223 0.032 0.000 2.064 405 L HA -0.189 4.152 4.340 0.000 0.000 0.216 405 L C 2.394 178.981 176.870 -0.471 0.000 1.077 405 L CA 1.990 56.883 54.840 0.088 0.000 0.766 405 L CB -0.582 41.642 42.059 0.275 0.000 0.890 405 L HN 1.049 nan 8.230 nan 0.000 0.435 406 G N -1.630 106.774 108.800 -0.661 0.000 2.776 406 G HA2 -0.158 3.803 3.960 0.000 0.000 0.209 406 G HA3 -0.158 3.803 3.960 0.000 0.000 0.209 406 G C 1.305 175.797 174.900 -0.680 0.000 1.145 406 G CA 0.093 44.496 45.100 -1.160 0.000 0.791 406 G HN 0.476 nan 8.290 nan 0.000 0.530 407 Q N -0.461 119.016 119.800 -0.537 0.000 2.319 407 Q HA 0.102 4.442 4.340 0.000 0.000 0.209 407 Q C 0.166 176.173 176.000 0.012 0.000 0.884 407 Q CA -0.480 55.188 55.803 -0.224 0.000 0.938 407 Q CB 0.613 29.231 28.738 -0.201 0.000 1.098 407 Q HN 0.271 nan 8.270 nan 0.000 0.517 408 D N 1.771 122.207 120.400 0.059 0.000 2.360 408 D HA -0.024 4.617 4.640 0.000 0.000 0.242 408 D C -0.084 176.273 176.300 0.095 0.000 1.184 408 D CA -0.073 53.963 54.000 0.061 0.000 0.930 408 D CB 0.678 41.545 40.800 0.112 0.000 1.161 408 D HN 0.092 nan 8.370 nan 0.000 0.447 409 N N 1.082 119.867 118.700 0.142 0.000 2.347 409 N HA 0.039 4.779 4.740 0.000 0.000 0.253 409 N C 0.860 176.448 175.510 0.130 0.000 1.274 409 N CA -0.238 52.881 53.050 0.116 0.000 0.941 409 N CB 0.385 38.934 38.487 0.104 0.000 1.200 409 N HN 0.185 nan 8.380 nan 0.000 0.514 410 R N -0.230 120.337 120.500 0.112 0.000 2.105 410 R HA -0.042 4.298 4.340 0.000 0.000 0.239 410 R C 0.759 177.124 176.300 0.108 0.000 1.135 410 R CA 1.022 57.197 56.100 0.126 0.000 0.967 410 R CB -0.993 29.356 30.300 0.081 0.000 0.861 410 R HN 0.636 nan 8.270 nan 0.000 0.442 411 N N -0.236 118.510 118.700 0.077 0.000 2.494 411 N HA -0.038 4.702 4.740 0.000 0.000 0.182 411 N C 0.648 176.194 175.510 0.059 0.000 1.076 411 N CA 1.059 54.142 53.050 0.056 0.000 0.908 411 N CB 0.154 38.661 38.487 0.033 0.000 0.967 411 N HN 0.382 nan 8.380 nan 0.000 0.449 412 G N 1.394 110.242 108.800 0.079 0.000 2.246 412 G HA2 -0.249 3.711 3.960 0.000 0.000 0.273 412 G HA3 -0.249 3.711 3.960 0.000 0.000 0.273 412 G C 0.436 175.324 174.900 -0.020 0.000 1.055 412 G CA 0.395 45.536 45.100 0.068 0.000 0.851 412 G HN 0.218 nan 8.290 nan 0.000 0.500 413 D N -0.171 120.198 120.400 -0.051 0.000 2.144 413 D HA -0.056 4.584 4.640 0.000 0.000 0.199 413 D C 2.743 178.901 176.300 -0.238 0.000 0.984 413 D CA 1.028 54.959 54.000 -0.115 0.000 0.834 413 D CB -0.001 40.757 40.800 -0.070 0.000 0.955 413 D HN 0.555 nan 8.370 nan 0.000 0.465 414 L N 0.126 121.113 121.223 -0.393 0.000 2.027 414 L HA -0.137 4.203 4.340 0.000 0.000 0.206 414 L C 2.440 179.139 176.870 -0.285 0.000 1.074 414 L CA 0.495 55.022 54.840 -0.522 0.000 0.745 414 L CB -0.423 40.898 42.059 -1.230 0.000 0.898 414 L HN 0.084 nan 8.230 nan 0.000 0.433 415 L N 0.544 121.652 121.223 -0.191 0.000 2.046 415 L HA -0.142 4.199 4.340 0.000 0.000 0.208 415 L C 2.608 179.417 176.870 -0.102 0.000 1.077 415 L CA 2.007 56.806 54.840 -0.068 0.000 0.747 415 L CB -0.741 41.370 42.059 0.087 0.000 0.896 415 L HN 0.140 nan 8.230 nan 0.000 0.432 416 A N -0.497 122.251 122.820 -0.118 0.000 1.933 416 A HA -0.072 4.249 4.320 0.000 0.000 0.218 416 A C 2.451 179.856 177.584 -0.299 0.000 1.175 416 A CA 1.716 53.665 52.037 -0.146 0.000 0.628 416 A CB -1.089 17.844 19.000 -0.111 0.000 0.814 416 A HN 0.598 nan 8.150 nan 0.000 0.444 417 A N -0.183 122.405 122.820 -0.387 0.000 1.898 417 A HA -0.006 4.314 4.320 0.000 0.000 0.216 417 A C 2.152 179.100 177.584 -1.059 0.000 1.181 417 A CA 1.423 53.001 52.037 -0.765 0.000 0.620 417 A CB -0.571 18.123 19.000 -0.509 0.000 0.819 417 A HN 0.467 nan 8.150 nan 0.000 0.442 418 L N -0.634 120.250 121.223 -0.565 0.000 2.046 418 L HA -0.195 4.146 4.340 0.000 0.000 0.208 418 L C 2.404 178.992 176.870 -0.470 0.000 1.077 418 L CA 1.826 56.336 54.840 -0.549 0.000 0.747 418 L CB -0.606 41.259 42.059 -0.322 0.000 0.896 418 L HN 0.495 nan 8.230 nan 0.000 0.432 419 D N 0.097 120.349 120.400 -0.246 0.000 2.144 419 D HA -0.237 4.403 4.640 0.000 0.000 0.199 419 D C 2.328 178.548 176.300 -0.135 0.000 0.984 419 D CA 1.090 55.047 54.000 -0.071 0.000 0.834 419 D CB 0.069 40.860 40.800 -0.016 0.000 0.955 419 D HN 0.073 nan 8.370 nan 0.000 0.465 420 R N -1.063 119.243 120.500 -0.324 0.000 2.081 420 R HA -0.186 4.154 4.340 0.000 0.000 0.235 420 R C 1.813 177.932 176.300 -0.301 0.000 1.131 420 R CA 1.311 57.226 56.100 -0.309 0.000 0.960 420 R CB -0.440 29.595 30.300 -0.441 0.000 0.856 420 R HN 0.270 nan 8.270 nan 0.000 0.436 421 Y N -0.451 119.548 120.300 -0.503 0.000 2.352 421 Y HA -0.100 4.451 4.550 0.000 0.000 0.292 421 Y C 1.835 177.676 175.900 -0.099 0.000 1.136 421 Y CA 0.553 58.301 58.100 -0.586 0.000 1.227 421 Y CB -0.413 37.661 38.460 -0.642 0.000 0.991 421 Y HN 0.052 nan 8.280 nan 0.000 0.545 422 F N -0.582 119.429 119.950 0.102 0.000 2.374 422 F HA 0.042 4.569 4.527 0.000 0.000 0.291 422 F C 1.724 177.586 175.800 0.103 0.000 1.084 422 F CA 0.601 58.668 58.000 0.113 0.000 1.413 422 F CB -0.361 38.685 39.000 0.078 0.000 1.099 422 F HN 0.042 nan 8.300 nan 0.000 0.534 423 N N -0.425 118.435 118.700 0.266 0.000 2.317 423 N HA 0.216 4.957 4.740 0.000 0.000 0.199 423 N C 0.559 176.152 175.510 0.138 0.000 1.145 423 N CA 0.329 53.487 53.050 0.180 0.000 0.882 423 N CB 0.281 38.856 38.487 0.147 0.000 1.113 423 N HN 0.002 nan 8.380 nan 0.000 0.486 424 A N 0.979 123.875 122.820 0.127 0.000 2.488 424 A HA 0.478 4.798 4.320 0.000 0.000 0.249 424 A C 1.363 179.040 177.584 0.154 0.000 1.083 424 A CA 0.263 52.373 52.037 0.121 0.000 0.768 424 A CB 0.362 19.427 19.000 0.107 0.000 1.017 424 A HN 0.267 nan 8.150 nan 0.000 0.496 425 A N 2.028 124.915 122.820 0.112 0.000 2.066 425 A HA -0.025 4.295 4.320 0.000 0.000 0.218 425 A C 1.215 178.860 177.584 0.101 0.000 1.157 425 A CA 1.589 53.685 52.037 0.098 0.000 0.670 425 A CB -0.327 18.715 19.000 0.069 0.000 0.804 425 A HN 0.859 nan 8.150 nan 0.000 0.453 426 D N -2.664 117.805 120.400 0.114 0.000 2.342 426 D HA 0.108 4.748 4.640 0.000 0.000 0.221 426 D C -0.007 176.386 176.300 0.155 0.000 1.101 426 D CA -0.318 53.745 54.000 0.105 0.000 0.837 426 D CB -0.503 40.346 40.800 0.082 0.000 0.938 426 D HN 0.423 nan 8.370 nan 0.000 0.508 427 Y N 1.047 121.382 120.300 0.059 0.000 2.360 427 Y HA 0.469 5.019 4.550 0.001 0.000 0.337 427 Y C -1.410 174.524 175.900 0.057 0.000 1.039 427 Y CA -1.408 56.736 58.100 0.072 0.000 1.109 427 Y CB 1.670 40.206 38.460 0.127 0.000 1.201 427 Y HN -0.200 nan 8.280 nan 0.000 0.458 428 D N 4.230 124.243 120.400 -0.646 0.000 2.575 428 D HA 0.173 4.813 4.640 0.000 0.000 0.250 428 D C -0.958 174.933 176.300 -0.682 0.000 1.279 428 D CA -0.599 53.119 54.000 -0.471 0.000 0.925 428 D CB 0.907 41.575 40.800 -0.220 0.000 1.261 428 D HN 0.665 nan 8.370 nan 0.000 0.567 429 D N 1.361 121.436 120.400 -0.543 0.000 2.388 429 D HA -0.009 4.631 4.640 0.000 0.000 0.221 429 D C 1.282 177.490 176.300 -0.154 0.000 1.133 429 D CA -0.017 53.759 54.000 -0.373 0.000 0.831 429 D CB -0.030 40.664 40.800 -0.177 0.000 0.962 429 D HN 0.189 nan 8.370 nan 0.000 0.502 430 S N 0.173 115.797 115.700 -0.127 0.000 2.440 430 S HA -0.234 4.237 4.470 0.000 0.000 0.238 430 S C 1.438 176.015 174.600 -0.038 0.000 1.010 430 S CA 0.799 58.967 58.200 -0.053 0.000 0.972 430 S CB -0.306 62.869 63.200 -0.042 0.000 0.774 430 S HN 0.226 nan 8.310 nan 0.000 0.501 431 Q N 0.131 119.895 119.800 -0.061 0.000 2.247 431 Q HA 0.399 4.739 4.340 0.000 0.000 0.211 431 Q C -0.132 175.861 176.000 -0.012 0.000 0.861 431 Q CA -0.317 55.468 55.803 -0.029 0.000 0.949 431 Q CB -0.061 28.655 28.738 -0.037 0.000 1.115 431 Q HN 0.493 nan 8.270 nan 0.000 0.507 432 L N 3.031 124.234 121.223 -0.032 0.000 2.513 432 L HA 0.038 4.378 4.340 0.000 0.000 0.272 432 L C 0.007 176.945 176.870 0.113 0.000 1.187 432 L CA 0.484 55.320 54.840 -0.007 0.000 0.895 432 L CB 0.381 42.371 42.059 -0.115 0.000 1.147 432 L HN -0.070 nan 8.230 nan 0.000 0.483 433 D N 5.244 125.760 120.400 0.193 0.000 2.325 433 D HA 0.052 4.693 4.640 0.000 0.000 0.251 433 D C 0.748 177.250 176.300 0.338 0.000 1.196 433 D CA -0.292 53.836 54.000 0.212 0.000 0.866 433 D CB 1.036 41.940 40.800 0.173 0.000 1.101 433 D HN 0.520 nan 8.370 nan 0.000 0.476 434 M N 2.409 122.177 119.600 0.279 0.000 2.659 434 M HA 0.155 4.635 4.480 0.000 0.000 0.243 434 M C 1.222 177.636 176.300 0.190 0.000 1.111 434 M CA 0.259 55.770 55.300 0.352 0.000 1.070 434 M CB -1.185 31.624 32.600 0.350 0.000 1.525 434 M HN 0.639 nan 8.290 nan 0.000 0.517 435 G N 0.815 109.678 108.800 0.106 0.000 2.760 435 G HA2 -0.216 3.744 3.960 0.000 0.000 0.246 435 G HA3 -0.216 3.744 3.960 0.000 0.000 0.246 435 G C 0.180 175.048 174.900 -0.055 0.000 1.359 435 G CA 0.039 45.157 45.100 0.031 0.000 0.861 435 G HN 0.398 nan 8.290 nan 0.000 0.541 436 T N -1.613 112.909 114.554 -0.052 0.000 3.228 436 T HA 0.614 4.964 4.350 0.000 0.000 0.278 436 T C 1.219 175.865 174.700 -0.089 0.000 1.014 436 T CA 1.037 63.091 62.100 -0.077 0.000 0.904 436 T CB 0.424 69.272 68.868 -0.034 0.000 1.110 436 T HN 1.928 nan 8.240 nan 0.000 0.541 437 G N 1.448 110.186 108.800 -0.103 0.000 2.667 437 G HA2 0.509 4.469 3.960 0.000 0.000 0.250 437 G HA3 0.509 4.469 3.960 0.000 0.000 0.250 437 G C -0.101 174.754 174.900 -0.075 0.000 1.212 437 G CA -0.896 44.182 45.100 -0.036 0.000 0.874 437 G HN 0.573 nan 8.290 nan 0.000 0.561 438 L N 1.215 122.451 121.223 0.021 0.000 2.410 438 L HA 0.276 4.617 4.340 0.000 0.000 0.273 438 L C 0.543 177.477 176.870 0.106 0.000 1.144 438 L CA -0.549 54.312 54.840 0.035 0.000 0.863 438 L CB 0.318 42.414 42.059 0.061 0.000 1.140 438 L HN 0.339 nan 8.230 nan 0.000 0.463 439 R N 2.258 122.793 120.500 0.059 0.000 2.536 439 R HA 0.265 4.605 4.340 0.000 0.000 0.279 439 R C -0.772 175.660 176.300 0.220 0.000 1.001 439 R CA -0.886 55.312 56.100 0.164 0.000 1.027 439 R CB 0.931 31.267 30.300 0.060 0.000 1.096 439 R HN 0.382 nan 8.270 nan 0.000 0.502 440 Y N 1.304 121.721 120.300 0.196 0.000 2.393 440 Y HA 0.052 4.602 4.550 0.000 0.000 0.338 440 Y C 0.687 176.657 175.900 0.116 0.000 1.029 440 Y CA 0.229 58.431 58.100 0.170 0.000 1.239 440 Y CB 0.827 39.408 38.460 0.203 0.000 1.170 440 Y HN 0.644 nan 8.280 nan 0.000 0.515 441 T N 2.088 116.435 114.554 -0.344 0.000 3.293 441 T HA 0.386 4.737 4.350 0.000 0.000 0.276 441 T C 0.590 175.105 174.700 -0.307 0.000 1.003 441 T CA -0.183 61.790 62.100 -0.212 0.000 0.916 441 T CB -0.504 68.283 68.868 -0.135 0.000 1.134 441 T HN 0.794 nan 8.240 nan 0.000 0.530 442 G N 0.739 109.235 108.800 -0.507 0.000 2.527 442 G HA2 0.504 4.464 3.960 0.000 0.000 0.248 442 G HA3 0.504 4.464 3.960 0.000 0.000 0.248 442 G C -0.777 174.049 174.900 -0.123 0.000 1.231 442 G CA -0.350 44.558 45.100 -0.319 0.000 0.838 442 G HN 0.434 nan 8.290 nan 0.000 0.570 443 V N 1.047 120.864 119.914 -0.162 0.000 2.487 443 V HA 0.821 4.942 4.120 0.000 0.000 0.298 443 V C 0.703 176.687 176.094 -0.184 0.000 1.028 443 V CA 0.185 62.408 62.300 -0.128 0.000 0.860 443 V CB 1.315 33.059 31.823 -0.130 0.000 0.991 443 V HN 1.163 nan 8.190 nan 0.000 0.427 444 G N 4.111 112.825 108.800 -0.144 0.000 3.022 444 G HA2 0.599 4.560 3.960 0.000 0.000 0.284 444 G HA3 0.599 4.560 3.960 0.000 0.000 0.284 444 G C -2.506 172.268 174.900 -0.210 0.000 1.375 444 G CA -1.071 43.895 45.100 -0.224 0.000 0.902 444 G HN 0.442 nan 8.290 nan 0.000 0.538 445 P HA -0.067 nan 4.420 nan 0.000 0.216 445 P C 1.799 179.061 177.300 -0.065 0.000 1.154 445 P CA 2.019 65.005 63.100 -0.190 0.000 0.865 445 P CB 0.146 31.747 31.700 -0.164 0.000 0.789 446 G N -0.946 107.847 108.800 -0.012 0.000 2.813 446 G HA2 -0.107 3.854 3.960 0.000 0.000 0.209 446 G HA3 -0.107 3.854 3.960 0.000 0.000 0.209 446 G C 0.699 175.607 174.900 0.013 0.000 1.150 446 G CA 0.149 45.258 45.100 0.016 0.000 0.785 446 G HN 0.356 nan 8.290 nan 0.000 0.535 447 N N -0.240 118.458 118.700 -0.003 0.000 2.451 447 N HA 0.184 4.924 4.740 0.000 0.000 0.271 447 N C -0.425 175.067 175.510 -0.029 0.000 1.410 447 N CA -0.606 52.444 53.050 0.000 0.000 0.884 447 N CB 0.058 38.562 38.487 0.029 0.000 1.332 447 N HN -0.102 nan 8.380 nan 0.000 0.498 448 L N 2.760 123.955 121.223 -0.048 0.000 2.453 448 L HA 0.380 4.721 4.340 0.000 0.000 0.272 448 L C -1.821 175.022 176.870 -0.046 0.000 1.182 448 L CA -1.511 53.290 54.840 -0.064 0.000 0.858 448 L CB 0.042 42.062 42.059 -0.065 0.000 1.120 448 L HN 0.225 nan 8.230 nan 0.000 0.474 449 P HA 0.163 nan 4.420 nan 0.000 0.276 449 P C -0.473 176.802 177.300 -0.042 0.000 1.252 449 P CA -0.654 62.424 63.100 -0.038 0.000 0.802 449 P CB 1.000 32.680 31.700 -0.034 0.000 1.035 450 I N 2.147 122.695 120.570 -0.037 0.000 2.556 450 I HA 0.188 4.358 4.170 0.000 0.000 0.284 450 I C 0.923 177.021 176.117 -0.033 0.000 1.114 450 I CA 0.537 61.812 61.300 -0.041 0.000 1.418 450 I CB -0.363 37.615 38.000 -0.036 0.000 1.394 450 I HN 0.383 nan 8.210 nan 0.000 0.552 451 M N 4.632 124.212 119.600 -0.033 0.000 2.631 451 M HA 0.414 4.894 4.480 0.000 0.000 0.288 451 M C -0.657 175.636 176.300 -0.011 0.000 1.260 451 M CA -0.615 54.673 55.300 -0.019 0.000 0.842 451 M CB 2.821 35.409 32.600 -0.019 0.000 1.743 451 M HN 0.379 nan 8.290 nan 0.000 0.461 452 T N 1.252 115.808 114.554 0.003 0.000 2.879 452 T HA 0.846 5.197 4.350 0.000 0.000 0.290 452 T C -1.330 173.388 174.700 0.030 0.000 0.993 452 T CA -0.677 61.431 62.100 0.013 0.000 0.975 452 T CB 1.645 70.519 68.868 0.010 0.000 0.981 452 T HN 0.746 nan 8.240 nan 0.000 0.439 453 A N 4.058 126.904 122.820 0.044 0.000 2.604 453 A HA 0.864 5.184 4.320 0.000 0.000 0.295 453 A C -3.112 174.518 177.584 0.076 0.000 1.067 453 A CA -1.687 50.389 52.037 0.065 0.000 0.683 453 A CB 0.756 19.806 19.000 0.083 0.000 1.281 453 A HN 0.561 nan 8.150 nan 0.000 0.407 454 P HA 0.382 nan 4.420 nan 0.000 0.267 454 P C 0.155 177.524 177.300 0.115 0.000 1.200 454 P CA 0.319 63.475 63.100 0.092 0.000 0.772 454 P CB 0.575 32.338 31.700 0.105 0.000 0.855 455 A N 2.867 125.751 122.820 0.107 0.000 2.406 455 A HA 0.140 4.460 4.320 0.000 0.000 0.243 455 A C -0.304 177.381 177.584 0.170 0.000 1.082 455 A CA -0.120 52.001 52.037 0.139 0.000 0.786 455 A CB -0.452 18.616 19.000 0.112 0.000 1.029 455 A HN 0.578 nan 8.150 nan 0.000 0.495 456 Y N 1.832 122.164 120.300 0.053 0.000 2.411 456 Y HA 0.380 4.930 4.550 0.000 0.000 0.333 456 Y C 0.116 176.049 175.900 0.056 0.000 1.186 456 Y CA 0.050 58.133 58.100 -0.027 0.000 1.381 456 Y CB 0.764 39.032 38.460 -0.319 0.000 1.273 456 Y HN 0.698 nan 8.280 nan 0.000 0.546 457 V N 5.201 124.722 119.914 -0.655 0.000 2.349 457 V HA 0.513 4.633 4.120 0.000 0.000 0.284 457 V C -2.824 172.768 176.094 -0.837 0.000 1.014 457 V CA -2.702 59.262 62.300 -0.559 0.000 0.826 457 V CB 0.884 32.577 31.823 -0.216 0.000 1.009 457 V HN 0.697 nan 8.190 nan 0.000 0.431 458 P HA 0.301 nan 4.420 nan 0.000 0.265 458 P C 1.188 178.379 177.300 -0.182 0.000 1.187 458 P CA 1.957 64.853 63.100 -0.341 0.000 0.766 458 P CB 0.839 32.478 31.700 -0.102 0.000 0.820 459 G N 1.164 109.922 108.800 -0.070 0.000 2.195 459 G HA2 -0.202 3.758 3.960 0.000 0.000 0.246 459 G HA3 -0.202 3.758 3.960 0.000 0.000 0.246 459 G C 0.288 175.141 174.900 -0.077 0.000 0.984 459 G CA 0.107 45.177 45.100 -0.050 0.000 0.633 459 G HN 0.614 nan 8.290 nan 0.000 0.525 460 T N 1.626 116.101 114.554 -0.132 0.000 2.909 460 T HA 0.566 4.916 4.350 0.000 0.000 0.289 460 T C 0.135 174.723 174.700 -0.187 0.000 1.005 460 T CA 0.483 62.432 62.100 -0.251 0.000 1.084 460 T CB 1.682 70.245 68.868 -0.508 0.000 0.975 460 T HN 0.170 nan 8.240 nan 0.000 0.509 461 T N 3.045 117.440 114.554 -0.264 0.000 2.756 461 T HA 0.421 4.772 4.350 0.000 0.000 0.290 461 T C -0.842 173.675 174.700 -0.305 0.000 0.985 461 T CA -0.344 61.668 62.100 -0.147 0.000 0.955 461 T CB 0.006 68.816 68.868 -0.097 0.000 0.930 461 T HN 0.380 nan 8.240 nan 0.000 0.451 462 Y N 1.566 121.840 120.300 -0.044 0.000 2.334 462 Y HA 0.593 5.144 4.550 0.000 0.000 0.328 462 Y C 0.773 176.547 175.900 -0.210 0.000 1.130 462 Y CA -0.930 57.115 58.100 -0.092 0.000 1.163 462 Y CB 0.917 39.364 38.460 -0.022 0.000 1.207 462 Y HN 0.746 nan 8.280 nan 0.000 0.471 463 A N 2.302 125.109 122.820 -0.022 0.000 2.272 463 A HA 0.236 4.557 4.320 0.000 0.000 0.275 463 A C -0.167 177.374 177.584 -0.071 0.000 1.096 463 A CA -0.729 51.248 52.037 -0.100 0.000 0.822 463 A CB 0.289 19.242 19.000 -0.079 0.000 1.088 463 A HN 0.794 nan 8.150 nan 0.000 0.495 464 Q N -0.362 119.406 119.800 -0.054 0.000 2.300 464 Q HA 0.367 4.708 4.340 0.000 0.000 0.280 464 Q C 1.016 176.993 176.000 -0.040 0.000 1.033 464 Q CA 1.110 56.884 55.803 -0.049 0.000 0.903 464 Q CB 0.144 28.894 28.738 0.020 0.000 1.195 464 Q HN 1.833 nan 8.270 nan 0.000 0.386 465 G N 2.134 110.895 108.800 -0.064 0.000 2.179 465 G HA2 -0.302 3.658 3.960 0.000 0.000 0.260 465 G HA3 -0.302 3.658 3.960 0.000 0.000 0.260 465 G C 0.145 175.046 174.900 0.001 0.000 0.977 465 G CA 0.037 45.123 45.100 -0.024 0.000 0.641 465 G HN 0.994 nan 8.290 nan 0.000 0.533 466 A N -0.191 122.626 122.820 -0.005 0.000 2.407 466 A HA 0.711 5.031 4.320 0.000 0.000 0.248 466 A C 0.360 178.003 177.584 0.098 0.000 1.082 466 A CA 0.259 52.340 52.037 0.073 0.000 0.785 466 A CB 0.419 19.518 19.000 0.165 0.000 1.020 466 A HN 0.914 nan 8.150 nan 0.000 0.489 467 L N 2.321 123.622 121.223 0.131 0.000 2.346 467 L HA 0.693 5.033 4.340 0.000 0.000 0.276 467 L C -0.372 176.589 176.870 0.150 0.000 1.006 467 L CA -0.818 54.112 54.840 0.151 0.000 0.817 467 L CB 1.853 43.975 42.059 0.106 0.000 1.272 467 L HN 0.698 nan 8.230 nan 0.000 0.421 468 V N -0.365 119.646 119.914 0.162 0.000 3.049 468 V HA 0.763 4.883 4.120 0.000 0.000 0.309 468 V C -0.383 175.821 176.094 0.183 0.000 1.148 468 V CA -0.661 61.709 62.300 0.116 0.000 0.990 468 V CB 2.042 33.846 31.823 -0.032 0.000 1.039 468 V HN 0.753 nan 8.190 nan 0.000 0.430 469 S N 2.507 118.319 115.700 0.186 0.000 2.489 469 S HA 0.867 5.337 4.470 0.000 0.000 0.291 469 S C -1.035 173.758 174.600 0.321 0.000 1.151 469 S CA -0.561 57.775 58.200 0.227 0.000 1.082 469 S CB 1.318 64.594 63.200 0.128 0.000 1.019 469 S HN 1.743 nan 8.310 nan 0.000 0.492 470 Y N 1.011 121.440 120.300 0.214 0.000 2.424 470 Y HA 0.261 4.811 4.550 0.000 0.000 0.323 470 Y C -0.483 175.569 175.900 0.253 0.000 1.174 470 Y CA -0.508 57.672 58.100 0.133 0.000 1.060 470 Y CB 1.131 39.499 38.460 -0.152 0.000 1.314 470 Y HN 0.927 nan 8.280 nan 0.000 0.439 471 Q N 4.444 124.014 119.800 -0.384 0.000 2.416 471 Q HA -0.252 4.089 4.340 0.000 0.000 0.319 471 Q C 1.063 177.046 176.000 -0.028 0.000 1.318 471 Q CA 1.637 57.284 55.803 -0.261 0.000 0.915 471 Q CB -1.406 27.104 28.738 -0.381 0.000 1.184 471 Q HN 1.531 nan 8.270 nan 0.000 0.444 472 G N -2.364 106.372 108.800 -0.106 0.000 2.217 472 G HA2 -0.324 3.636 3.960 0.000 0.000 0.246 472 G HA3 -0.324 3.636 3.960 0.000 0.000 0.246 472 G C -0.324 174.237 174.900 -0.565 0.000 0.990 472 G CA 0.289 45.182 45.100 -0.344 0.000 0.627 472 G HN 0.386 nan 8.290 nan 0.000 0.522 473 Y N -1.198 119.063 120.300 -0.065 0.000 2.634 473 Y HA 0.667 5.218 4.550 0.001 0.000 0.340 473 Y C 0.197 175.957 175.900 -0.233 0.000 1.058 473 Y CA -1.196 56.739 58.100 -0.274 0.000 1.081 473 Y CB 1.999 40.049 38.460 -0.682 0.000 1.295 473 Y HN 0.100 nan 8.280 nan 0.000 0.487 474 V N 1.236 121.072 119.914 -0.131 0.000 2.398 474 V HA 0.311 4.431 4.120 0.000 0.000 0.286 474 V C -1.249 174.732 176.094 -0.187 0.000 1.026 474 V CA -0.849 61.428 62.300 -0.039 0.000 0.868 474 V CB 0.483 32.300 31.823 -0.010 0.000 0.982 474 V HN 0.635 nan 8.190 nan 0.000 0.443 475 W N 2.667 123.981 121.300 0.024 0.000 2.781 475 W HA 0.734 5.395 4.660 0.000 0.000 0.345 475 W C -0.118 176.509 176.519 0.181 0.000 1.085 475 W CA -0.605 56.779 57.345 0.065 0.000 1.198 475 W CB 1.357 30.797 29.460 -0.034 0.000 1.423 475 W HN 0.436 nan 8.180 nan 0.000 0.532 476 Q N 1.229 121.282 119.800 0.422 0.000 2.356 476 Q HA 0.475 4.815 4.340 0.000 0.000 0.270 476 Q C -0.255 175.766 176.000 0.035 0.000 1.058 476 Q CA -0.604 55.329 55.803 0.216 0.000 0.802 476 Q CB 1.943 30.735 28.738 0.090 0.000 1.303 476 Q HN 0.559 nan 8.270 nan 0.000 0.444 477 T N 0.556 114.936 114.554 -0.290 0.000 2.907 477 T HA 0.274 4.624 4.350 0.000 0.000 0.298 477 T C 0.513 174.981 174.700 -0.386 0.000 1.017 477 T CA -0.438 61.247 62.100 -0.692 0.000 1.118 477 T CB 1.148 69.503 68.868 -0.855 0.000 0.948 477 T HN 0.693 nan 8.240 nan 0.000 0.531 478 K N 1.225 121.341 120.400 -0.474 0.000 2.356 478 K HA 0.216 4.536 4.320 0.000 0.000 0.195 478 K C -0.181 176.481 176.600 0.104 0.000 1.037 478 K CA 0.011 56.213 56.287 -0.143 0.000 1.014 478 K CB 0.279 32.763 32.500 -0.026 0.000 0.815 478 K HN 0.850 nan 8.250 nan 0.000 0.507 479 W N -1.547 119.675 121.300 -0.130 0.000 2.988 479 W HA 0.614 5.275 4.660 0.001 0.000 0.355 479 W C -0.411 176.054 176.519 -0.090 0.000 1.233 479 W CA -1.461 55.834 57.345 -0.082 0.000 1.176 479 W CB -0.064 29.361 29.460 -0.059 0.000 1.477 479 W HN -0.190 nan 8.180 nan 0.000 0.582 480 G N -0.816 108.150 108.800 0.277 0.000 2.522 480 G HA2 0.484 4.444 3.960 0.000 0.000 0.304 480 G HA3 0.484 4.444 3.960 0.000 0.000 0.304 480 G C -1.342 173.737 174.900 0.299 0.000 1.210 480 G CA -0.877 44.322 45.100 0.165 0.000 0.960 480 G HN 1.008 nan 8.290 nan 0.000 0.497 481 Y N -2.071 118.252 120.300 0.039 0.000 3.178 481 Y HA -0.153 4.397 4.550 0.001 0.000 0.200 481 Y C 0.251 176.177 175.900 0.043 0.000 1.427 481 Y CA -0.227 57.901 58.100 0.047 0.000 1.250 481 Y CB -1.589 36.909 38.460 0.064 0.000 1.421 481 Y HN 0.247 nan 8.280 nan 0.000 0.506 482 I N 0.901 121.501 120.570 0.051 0.000 2.315 482 I HA 0.197 4.368 4.170 0.000 0.000 0.291 482 I C 1.316 177.538 176.117 0.175 0.000 1.006 482 I CA 0.257 61.562 61.300 0.008 0.000 1.265 482 I CB 1.219 39.022 38.000 -0.328 0.000 1.387 482 I HN 0.416 nan 8.210 nan 0.000 0.475 483 T N 0.184 114.848 114.554 0.183 0.000 3.044 483 T HA 0.151 4.501 4.350 0.000 0.000 0.260 483 T C 0.685 175.524 174.700 0.232 0.000 1.019 483 T CA -0.304 61.922 62.100 0.210 0.000 0.921 483 T CB 0.005 68.960 68.868 0.145 0.000 1.053 483 T HN 0.534 nan 8.240 nan 0.000 0.533 484 S N 1.147 116.985 115.700 0.230 0.000 2.672 484 S HA 0.814 5.285 4.470 0.000 0.000 0.276 484 S C 0.246 174.883 174.600 0.060 0.000 1.207 484 S CA -0.792 57.500 58.200 0.153 0.000 1.002 484 S CB 1.211 64.479 63.200 0.113 0.000 0.998 484 S HN 0.585 nan 8.310 nan 0.000 0.542 485 A N 1.579 124.227 122.820 -0.286 0.000 2.340 485 A HA 0.639 4.960 4.320 0.000 0.000 0.268 485 A C -2.604 174.152 177.584 -1.380 0.000 1.100 485 A CA -1.900 49.488 52.037 -1.082 0.000 0.803 485 A CB -0.772 17.730 19.000 -0.830 0.000 1.043 485 A HN 0.655 nan 8.150 nan 0.000 0.488 486 P HA 0.195 nan 4.420 nan 0.000 0.264 486 P C 1.060 177.387 177.300 -1.621 0.000 1.183 486 P CA 2.150 63.699 63.100 -2.584 0.000 0.763 486 P CB 0.573 30.453 31.700 -3.033 0.000 0.807 487 G N 2.323 110.371 108.800 -1.253 0.000 2.199 487 G HA2 -0.308 3.652 3.960 0.000 0.000 0.254 487 G HA3 -0.308 3.652 3.960 0.000 0.000 0.254 487 G C 1.104 175.844 174.900 -0.268 0.000 0.982 487 G CA 0.604 45.330 45.100 -0.623 0.000 0.632 487 G HN 0.613 nan 8.290 nan 0.000 0.529 488 S N -0.083 115.451 115.700 -0.275 0.000 2.503 488 S HA 0.388 4.858 4.470 0.000 0.000 0.217 488 S C 0.652 175.238 174.600 -0.024 0.000 0.999 488 S CA 1.110 59.239 58.200 -0.118 0.000 0.914 488 S CB 0.336 63.458 63.200 -0.129 0.000 0.782 488 S HN 1.027 nan 8.310 nan 0.000 0.520 489 D N -0.016 120.390 120.400 0.010 0.000 2.895 489 D HA 0.322 4.962 4.640 0.000 0.000 0.320 489 D C -0.289 176.062 176.300 0.085 0.000 1.249 489 D CA -0.624 53.417 54.000 0.069 0.000 0.997 489 D CB 0.586 41.442 40.800 0.093 0.000 1.430 489 D HN -0.056 nan 8.370 nan 0.000 0.558 490 S N -0.896 114.882 115.700 0.130 0.000 2.631 490 S HA 0.286 4.757 4.470 0.000 0.000 0.217 490 S C 1.432 175.976 174.600 -0.094 0.000 0.958 490 S CA 0.254 58.539 58.200 0.142 0.000 0.920 490 S CB -0.082 63.291 63.200 0.289 0.000 0.776 490 S HN 0.610 nan 8.310 nan 0.000 0.517 491 A N 0.409 122.978 122.820 -0.418 0.000 2.119 491 A HA 0.130 4.450 4.320 0.000 0.000 0.216 491 A C 0.181 177.209 177.584 -0.927 0.000 1.152 491 A CA 0.170 51.428 52.037 -1.298 0.000 0.708 491 A CB -0.175 18.031 19.000 -1.324 0.000 0.805 491 A HN 0.560 nan 8.150 nan 0.000 0.460 492 W N -1.272 119.808 121.300 -0.367 0.000 2.551 492 W HA 0.596 5.257 4.660 0.000 0.000 0.330 492 W C -0.554 175.993 176.519 0.047 0.000 1.063 492 W CA -0.869 56.368 57.345 -0.181 0.000 1.222 492 W CB 1.257 30.557 29.460 -0.266 0.000 1.349 492 W HN 0.043 nan 8.180 nan 0.000 0.536 493 L N 3.555 124.992 121.223 0.357 0.000 2.333 493 L HA 0.460 4.800 4.340 0.000 0.000 0.280 493 L C -0.179 176.784 176.870 0.155 0.000 1.004 493 L CA -1.147 53.820 54.840 0.212 0.000 0.820 493 L CB 1.214 43.322 42.059 0.082 0.000 1.247 493 L HN 0.335 nan 8.230 nan 0.000 0.416 494 K N 3.485 123.804 120.400 -0.135 0.000 2.383 494 K HA 0.320 4.641 4.320 0.000 0.000 0.286 494 K C 0.457 176.844 176.600 -0.354 0.000 1.051 494 K CA 0.267 56.176 56.287 -0.630 0.000 0.974 494 K CB 0.665 32.562 32.500 -1.005 0.000 0.968 494 K HN 0.670 nan 8.250 nan 0.000 0.475 495 V N 0.442 120.191 119.914 -0.274 0.000 3.502 495 V HA 0.466 4.586 4.120 0.000 0.000 0.288 495 V C 0.375 176.388 176.094 -0.136 0.000 1.461 495 V CA 0.281 62.485 62.300 -0.160 0.000 1.029 495 V CB 0.468 32.248 31.823 -0.072 0.000 0.843 495 V HN 0.731 nan 8.190 nan 0.000 0.438 496 G N 0.991 109.702 108.800 -0.149 0.000 2.576 496 G HA2 0.616 4.576 3.960 0.000 0.000 0.290 496 G HA3 0.616 4.576 3.960 0.000 0.000 0.290 496 G C -1.363 173.506 174.900 -0.051 0.000 1.442 496 G CA -1.011 44.038 45.100 -0.085 0.000 0.792 496 G HN 0.549 nan 8.290 nan 0.000 0.491 497 R N -0.521 119.943 120.500 -0.061 0.000 2.664 497 R HA 0.780 5.120 4.340 0.000 0.000 0.286 497 R C -0.951 175.269 176.300 -0.134 0.000 0.967 497 R CA -0.774 55.245 56.100 -0.134 0.000 0.933 497 R CB 2.133 32.339 30.300 -0.155 0.000 1.146 497 R HN 0.261 nan 8.270 nan 0.000 0.468 498 V N 2.078 121.882 119.914 -0.183 0.000 2.546 498 V HA 0.380 4.500 4.120 0.000 0.000 0.284 498 V C 0.807 176.830 176.094 -0.118 0.000 1.050 498 V CA -0.287 61.940 62.300 -0.121 0.000 0.981 498 V CB 1.229 32.983 31.823 -0.115 0.000 0.990 498 V HN 1.004 nan 8.190 nan 0.000 0.474 499 A N 0.000 122.774 122.820 -0.077 0.000 2.254 499 A HA 0.000 4.320 4.320 0.000 0.000 0.244 499 A CA 0.000 51.997 52.037 -0.067 0.000 0.836 499 A CB 0.000 18.974 19.000 -0.044 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486