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 1kpl_1_D DATA FIRST_RESID 12 DATA SEQUENCE QIVRLRRRDQ IRRLLQRDKT PLAILFMAAV VGTLTGLVGV AFEKAVSWVQ DATA SEQUENCE NMRIGALVQV ADHAFLLWPL AFILSALLAM VGYFLVRKFA PEAGGSGIPE DATA SEQUENCE IEGALEELRP VRWWRVLPVK FIGGMGTLGA GMVLGREGPT VQIGGNLGRM DATA SEQUENCE VLDVFRMRSA EARHTLLATG AAAGLSAAFN APLAGILFII EEMRPQFRYN DATA SEQUENCE LISIKAVFTG VIMSSIVFRI FNGEAPIIEV GKLSDAPVNT LWLYLILGII DATA SEQUENCE FGVVGPVFNS LVLRTQDMFQ RFHGGEIKKW VLMGGAIGGL CGILGLIEPA DATA SEQUENCE AAGGGFNLIP IAAAGNFSVG LLLFIFITRV VTTLLCFSSG APGGIFAPML DATA SEQUENCE ALGTLLGTAF GMAAAVLFPQ YHLEAGTFAI AGMGALMAAS VRAPLTGIVL DATA SEQUENCE VLEMTDNYQL ILPMIITCLG ATLLAQFLGG KPLYSTILAR TLAKQDAEQA DATA SEQUENCE E 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 176.002 176.000 0.003 0.000 1.003 12 Q CA 0.000 55.805 55.803 0.003 0.000 1.022 12 Q CB 0.000 28.739 28.738 0.003 0.000 1.108 13 I N 0.973 121.545 120.570 0.003 0.000 2.439 13 I HA -0.148 4.022 4.170 -0.000 0.000 0.251 13 I C 2.121 178.240 176.117 0.004 0.000 1.139 13 I CA 1.220 62.522 61.300 0.004 0.000 1.438 13 I CB -0.169 37.834 38.000 0.004 0.000 1.085 13 I HN 0.036 nan 8.210 nan 0.000 0.427 14 V N 0.250 120.166 119.914 0.004 0.000 2.379 14 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 14 V C 2.508 178.604 176.094 0.004 0.000 1.044 14 V CA 1.487 63.789 62.300 0.004 0.000 1.036 14 V CB -0.688 31.137 31.823 0.003 0.000 0.664 14 V HN 0.329 nan 8.190 nan 0.000 0.453 15 R N -0.330 120.173 120.500 0.003 0.000 2.152 15 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 15 R C 2.166 178.469 176.300 0.004 0.000 1.117 15 R CA 1.118 57.220 56.100 0.003 0.000 0.981 15 R CB -0.284 30.018 30.300 0.003 0.000 0.870 15 R HN 0.435 nan 8.270 nan 0.000 0.451 16 L N -0.059 121.166 121.223 0.004 0.000 2.102 16 L HA -0.051 4.289 4.340 -0.000 0.000 0.202 16 L C 2.333 179.206 176.870 0.005 0.000 1.076 16 L CA 1.001 55.843 54.840 0.004 0.000 0.761 16 L CB -0.284 41.777 42.059 0.004 0.000 0.921 16 L HN 0.084 nan 8.230 nan 0.000 0.444 17 R N -0.001 120.502 120.500 0.005 0.000 2.241 17 R HA -0.117 4.223 4.340 -0.000 0.000 0.224 17 R C 2.255 178.559 176.300 0.007 0.000 1.101 17 R CA 0.787 56.891 56.100 0.006 0.000 0.995 17 R CB -0.235 30.069 30.300 0.006 0.000 0.870 17 R HN 0.429 nan 8.270 nan 0.000 0.463 18 R N 0.179 120.682 120.500 0.006 0.000 2.062 18 R HA 0.036 4.376 4.340 -0.000 0.000 0.226 18 R C 2.269 178.573 176.300 0.006 0.000 1.125 18 R CA 0.524 56.627 56.100 0.006 0.000 0.966 18 R CB -0.123 30.180 30.300 0.005 0.000 0.861 18 R HN 0.111 nan 8.270 nan 0.000 0.433 19 R N 1.368 121.871 120.500 0.006 0.000 2.113 19 R HA -0.147 4.193 4.340 -0.000 0.000 0.231 19 R C 1.715 178.019 176.300 0.007 0.000 1.129 19 R CA 1.630 57.733 56.100 0.006 0.000 0.915 19 R CB -0.986 29.317 30.300 0.005 0.000 0.837 19 R HN 0.327 nan 8.270 nan 0.000 0.430 20 D N 0.581 120.986 120.400 0.007 0.000 2.228 20 D HA -0.178 4.462 4.640 -0.000 0.000 0.203 20 D C 1.943 178.249 176.300 0.010 0.000 0.988 20 D CA 1.164 55.169 54.000 0.009 0.000 0.864 20 D CB -0.051 40.754 40.800 0.009 0.000 0.928 20 D HN 0.217 nan 8.370 nan 0.000 0.469 21 Q N 0.910 120.716 119.800 0.010 0.000 2.212 21 Q HA -0.007 4.333 4.340 -0.000 0.000 0.199 21 Q C 2.207 178.214 176.000 0.011 0.000 0.950 21 Q CA 0.411 56.221 55.803 0.011 0.000 0.863 21 Q CB -0.253 28.491 28.738 0.010 0.000 0.944 21 Q HN 0.530 nan 8.270 nan 0.000 0.465 22 I N -2.302 118.273 120.570 0.009 0.000 2.830 22 I HA -0.111 4.059 4.170 -0.000 0.000 0.263 22 I C 1.611 177.734 176.117 0.010 0.000 1.230 22 I CA 0.776 62.081 61.300 0.009 0.000 1.480 22 I CB -0.044 37.961 38.000 0.007 0.000 1.095 22 I HN 0.005 nan 8.210 nan 0.000 0.455 23 R N 1.391 121.898 120.500 0.011 0.000 2.055 23 R HA 0.084 4.424 4.340 -0.000 0.000 0.226 23 R C 2.420 178.729 176.300 0.015 0.000 1.135 23 R CA 1.151 57.258 56.100 0.012 0.000 0.959 23 R CB -0.373 29.934 30.300 0.011 0.000 0.854 23 R HN 0.329 nan 8.270 nan 0.000 0.431 24 R N 0.442 120.952 120.500 0.017 0.000 2.200 24 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 24 R C 1.756 178.068 176.300 0.021 0.000 1.127 24 R CA 0.883 56.996 56.100 0.021 0.000 0.989 24 R CB -0.246 30.067 30.300 0.023 0.000 0.869 24 R HN 0.094 nan 8.270 nan 0.000 0.459 25 L N 0.056 121.290 121.223 0.017 0.000 2.130 25 L HA 0.006 4.346 4.340 -0.000 0.000 0.200 25 L C 1.820 178.699 176.870 0.016 0.000 1.075 25 L CA 1.394 56.243 54.840 0.016 0.000 0.768 25 L CB -0.401 41.665 42.059 0.012 0.000 0.933 25 L HN 0.087 nan 8.230 nan 0.000 0.451 26 L N -0.629 120.603 121.223 0.014 0.000 2.711 26 L HA -0.092 4.248 4.340 -0.000 0.000 0.242 26 L C 0.883 177.762 176.870 0.016 0.000 1.153 26 L CA 0.527 55.375 54.840 0.014 0.000 0.898 26 L CB -0.381 41.685 42.059 0.011 0.000 1.044 26 L HN 0.465 nan 8.230 nan 0.000 0.437 27 Q N -0.962 118.850 119.800 0.019 0.000 2.028 27 Q HA 0.139 4.479 4.340 -0.000 0.000 0.207 27 Q C 0.323 176.339 176.000 0.027 0.000 0.776 27 Q CA -0.278 55.538 55.803 0.022 0.000 1.015 27 Q CB 1.073 29.823 28.738 0.020 0.000 1.215 27 Q HN 0.290 nan 8.270 nan 0.000 0.445 28 R N 2.243 122.760 120.500 0.028 0.000 2.758 28 R HA -0.080 4.260 4.340 -0.000 0.000 0.263 28 R C -0.190 176.134 176.300 0.040 0.000 1.010 28 R CA 0.337 56.457 56.100 0.034 0.000 1.114 28 R CB 0.309 30.626 30.300 0.029 0.000 0.985 28 R HN 0.070 nan 8.270 nan 0.000 0.439 29 D N 2.194 122.625 120.400 0.052 0.000 4.267 29 D HA -0.218 4.422 4.640 -0.000 0.000 0.190 29 D C -1.202 175.127 176.300 0.050 0.000 1.151 29 D CA 1.520 55.556 54.000 0.061 0.000 0.948 29 D CB 0.004 40.844 40.800 0.067 0.000 0.951 29 D HN 0.476 nan 8.370 nan 0.000 0.510 30 K N 2.073 122.501 120.400 0.047 0.000 2.565 30 K HA 0.371 4.691 4.320 -0.000 0.000 0.249 30 K C -1.346 175.278 176.600 0.040 0.000 0.958 30 K CA -0.618 55.693 56.287 0.039 0.000 0.806 30 K CB 1.265 33.784 32.500 0.032 0.000 1.194 30 K HN 0.092 nan 8.250 nan 0.000 0.434 31 T N 5.518 120.097 114.554 0.041 0.000 2.807 31 T HA 0.393 4.742 4.350 -0.000 0.000 0.279 31 T C -2.556 172.166 174.700 0.037 0.000 0.993 31 T CA -1.332 60.792 62.100 0.040 0.000 0.970 31 T CB 1.479 70.375 68.868 0.046 0.000 0.950 31 T HN 0.497 nan 8.240 nan 0.000 0.441 32 P HA 0.091 nan 4.420 nan 0.000 0.262 32 P C 0.873 178.197 177.300 0.040 0.000 1.182 32 P CA -0.112 63.008 63.100 0.032 0.000 0.761 32 P CB 0.838 32.555 31.700 0.029 0.000 0.795 33 L N 2.258 123.504 121.223 0.039 0.000 2.187 33 L HA -0.213 4.127 4.340 -0.000 0.000 0.213 33 L C 2.497 179.416 176.870 0.082 0.000 1.100 33 L CA 1.716 56.589 54.840 0.053 0.000 0.765 33 L CB -0.977 41.100 42.059 0.031 0.000 0.904 33 L HN 0.414 nan 8.230 nan 0.000 0.437 34 A N 0.791 123.648 122.820 0.061 0.000 1.855 34 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 34 A C 2.223 179.864 177.584 0.096 0.000 1.191 34 A CA 1.352 53.437 52.037 0.080 0.000 0.613 34 A CB -0.541 18.489 19.000 0.049 0.000 0.829 34 A HN 0.299 nan 8.150 nan 0.000 0.442 35 I N -0.898 119.706 120.570 0.057 0.000 2.163 35 I HA -0.246 3.924 4.170 -0.000 0.000 0.243 35 I C 2.452 178.587 176.117 0.031 0.000 1.085 35 I CA 1.084 62.404 61.300 0.032 0.000 1.347 35 I CB -0.363 37.652 38.000 0.025 0.000 1.044 35 I HN 0.292 nan 8.210 nan 0.000 0.408 36 L N 0.492 121.748 121.223 0.055 0.000 1.970 36 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 36 L C 2.372 179.270 176.870 0.047 0.000 1.071 36 L CA 1.960 56.831 54.840 0.052 0.000 0.751 36 L CB -1.051 41.050 42.059 0.070 0.000 0.889 36 L HN 0.160 nan 8.230 nan 0.000 0.432 37 F N -0.726 119.200 119.950 -0.041 0.000 2.091 37 F HA -0.309 4.218 4.527 -0.000 0.000 0.299 37 F C 2.355 178.101 175.800 -0.090 0.000 1.103 37 F CA 1.815 59.779 58.000 -0.059 0.000 1.228 37 F CB -0.210 38.752 39.000 -0.064 0.000 0.984 37 F HN 0.085 nan 8.300 nan 0.000 0.477 38 M N 0.129 119.650 119.600 -0.130 0.000 2.229 38 M HA -0.063 4.416 4.480 -0.000 0.000 0.264 38 M C 2.513 178.676 176.300 -0.228 0.000 1.063 38 M CA 1.388 56.539 55.300 -0.248 0.000 1.114 38 M CB -2.009 30.504 32.600 -0.144 0.000 1.387 38 M HN 0.317 nan 8.290 nan 0.000 0.420 39 A N 0.540 123.275 122.820 -0.141 0.000 1.908 39 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 39 A C 2.470 179.971 177.584 -0.137 0.000 1.181 39 A CA 2.178 54.154 52.037 -0.101 0.000 0.627 39 A CB -0.861 18.114 19.000 -0.042 0.000 0.818 39 A HN 0.469 nan 8.150 nan 0.000 0.445 40 A N -0.617 122.082 122.820 -0.201 0.000 1.877 40 A HA -0.005 4.314 4.320 -0.000 0.000 0.216 40 A C 2.249 179.679 177.584 -0.258 0.000 1.186 40 A CA 1.807 53.711 52.037 -0.221 0.000 0.620 40 A CB -1.011 17.820 19.000 -0.283 0.000 0.822 40 A HN 0.398 nan 8.150 nan 0.000 0.443 41 V N -0.285 119.399 119.914 -0.383 0.000 2.287 41 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 41 V C 2.584 178.555 176.094 -0.204 0.000 1.053 41 V CA 2.076 64.181 62.300 -0.326 0.000 1.027 41 V CB -0.798 30.775 31.823 -0.417 0.000 0.646 41 V HN 0.372 nan 8.190 nan 0.000 0.447 42 V N 0.844 120.644 119.914 -0.190 0.000 2.407 42 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 42 V C 2.560 178.598 176.094 -0.093 0.000 1.055 42 V CA 2.142 64.363 62.300 -0.132 0.000 1.049 42 V CB -1.336 30.416 31.823 -0.118 0.000 0.662 42 V HN 0.628 nan 8.190 nan 0.000 0.455 43 G N -0.669 108.079 108.800 -0.087 0.000 2.402 43 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 43 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 43 G C 1.690 176.565 174.900 -0.042 0.000 1.162 43 G CA 1.353 46.424 45.100 -0.049 0.000 0.777 43 G HN 0.462 nan 8.290 nan 0.000 0.539 44 T N 1.246 115.763 114.554 -0.061 0.000 2.674 44 T HA -0.117 4.232 4.350 -0.000 0.000 0.265 44 T C 2.246 176.921 174.700 -0.042 0.000 1.039 44 T CA 1.138 63.212 62.100 -0.043 0.000 1.150 44 T CB -0.289 68.543 68.868 -0.060 0.000 0.864 44 T HN 0.085 nan 8.240 nan 0.000 0.427 45 L N 1.113 122.301 121.223 -0.060 0.000 2.079 45 L HA -0.091 4.248 4.340 -0.000 0.000 0.210 45 L C 2.522 179.365 176.870 -0.046 0.000 1.081 45 L CA 1.823 56.630 54.840 -0.055 0.000 0.752 45 L CB -1.201 40.817 42.059 -0.069 0.000 0.896 45 L HN 0.238 nan 8.230 nan 0.000 0.433 46 T N -1.100 113.428 114.554 -0.044 0.000 2.821 46 T HA -0.068 4.281 4.350 -0.000 0.000 0.267 46 T C 1.679 176.368 174.700 -0.020 0.000 1.046 46 T CA 1.088 63.169 62.100 -0.033 0.000 1.139 46 T CB -0.675 68.172 68.868 -0.034 0.000 0.871 46 T HN 0.558 nan 8.240 nan 0.000 0.454 47 G N 1.217 110.009 108.800 -0.013 0.000 2.402 47 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.216 47 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.216 47 G C 1.475 176.337 174.900 -0.064 0.000 1.162 47 G CA 0.357 45.461 45.100 0.005 0.000 0.777 47 G HN 0.400 nan 8.290 nan 0.000 0.539 48 L N 0.186 121.351 121.223 -0.098 0.000 1.948 48 L HA -0.105 4.234 4.340 -0.000 0.000 0.212 48 L C 2.988 179.786 176.870 -0.120 0.000 1.074 48 L CA 0.850 55.575 54.840 -0.191 0.000 0.753 48 L CB -0.764 41.216 42.059 -0.132 0.000 0.888 48 L HN 0.065 nan 8.230 nan 0.000 0.432 49 V N 0.318 120.216 119.914 -0.027 0.000 2.568 49 V HA -0.239 3.881 4.120 -0.000 0.000 0.253 49 V C 2.495 178.659 176.094 0.118 0.000 1.072 49 V CA 1.865 64.218 62.300 0.088 0.000 1.084 49 V CB -1.350 30.530 31.823 0.094 0.000 0.676 49 V HN 0.629 nan 8.190 nan 0.000 0.469 50 G N -0.646 108.171 108.800 0.029 0.000 2.434 50 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.214 50 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.214 50 G C 1.757 176.687 174.900 0.050 0.000 1.202 50 G CA 1.037 46.157 45.100 0.035 0.000 0.788 50 G HN 0.366 nan 8.290 nan 0.000 0.539 51 V N 1.377 121.268 119.914 -0.038 0.000 2.626 51 V HA 0.034 4.153 4.120 -0.000 0.000 0.252 51 V C 3.129 179.168 176.094 -0.092 0.000 1.067 51 V CA 2.213 64.445 62.300 -0.113 0.000 1.081 51 V CB -0.553 31.094 31.823 -0.294 0.000 0.686 51 V HN 0.444 nan 8.190 nan 0.000 0.468 52 A N -0.455 122.336 122.820 -0.047 0.000 1.908 52 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 52 A C 2.094 179.777 177.584 0.165 0.000 1.181 52 A CA 2.172 54.248 52.037 0.065 0.000 0.627 52 A CB -0.866 18.229 19.000 0.157 0.000 0.818 52 A HN 0.667 nan 8.150 nan 0.000 0.445 53 F N 0.997 120.905 119.950 -0.070 0.000 2.102 53 F HA -0.125 4.401 4.527 -0.000 0.000 0.298 53 F C 2.161 177.818 175.800 -0.238 0.000 1.105 53 F CA 2.084 59.814 58.000 -0.450 0.000 1.239 53 F CB -0.397 38.241 39.000 -0.603 0.000 0.991 53 F HN 0.376 nan 8.300 nan 0.000 0.474 54 E N 0.070 120.184 120.200 -0.143 0.000 2.085 54 E HA -0.221 4.128 4.350 -0.000 0.000 0.194 54 E C 2.138 178.639 176.600 -0.165 0.000 0.994 54 E CA 1.345 57.642 56.400 -0.171 0.000 0.801 54 E CB -0.129 29.551 29.700 -0.033 0.000 0.743 54 E HN 0.299 nan 8.360 nan 0.000 0.453 55 K N 0.472 120.811 120.400 -0.101 0.000 2.057 55 K HA -0.064 4.255 4.320 -0.000 0.000 0.206 55 K C 2.172 178.757 176.600 -0.025 0.000 1.050 55 K CA 1.066 57.325 56.287 -0.047 0.000 0.935 55 K CB -0.408 32.074 32.500 -0.031 0.000 0.715 55 K HN 0.090 nan 8.250 nan 0.000 0.439 56 A N 1.314 124.095 122.820 -0.066 0.000 1.883 56 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 56 A C 2.533 180.103 177.584 -0.022 0.000 1.186 56 A CA 1.746 53.789 52.037 0.009 0.000 0.624 56 A CB -0.748 18.284 19.000 0.053 0.000 0.822 56 A HN 0.064 nan 8.150 nan 0.000 0.444 57 V N -0.433 119.285 119.914 -0.326 0.000 2.343 57 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 57 V C 2.782 178.810 176.094 -0.111 0.000 1.051 57 V CA 2.270 64.383 62.300 -0.311 0.000 1.036 57 V CB -0.764 30.736 31.823 -0.539 0.000 0.654 57 V HN 0.660 nan 8.190 nan 0.000 0.451 58 S N -1.446 114.215 115.700 -0.065 0.000 2.399 58 S HA -0.246 4.224 4.470 -0.000 0.000 0.231 58 S C 1.595 176.245 174.600 0.082 0.000 1.022 58 S CA 1.764 59.967 58.200 0.005 0.000 0.983 58 S CB -0.399 62.811 63.200 0.017 0.000 0.803 58 S HN 0.727 nan 8.310 nan 0.000 0.480 59 W N 1.942 123.198 121.300 -0.073 0.000 2.381 59 W HA -0.086 4.574 4.660 -0.000 0.000 0.321 59 W C 2.019 178.515 176.519 -0.039 0.000 1.196 59 W CA 1.494 58.814 57.345 -0.042 0.000 1.304 59 W CB -0.991 28.451 29.460 -0.031 0.000 1.166 59 W HN 0.054 nan 8.180 nan 0.000 0.473 60 V N 1.458 121.336 119.914 -0.058 0.000 2.527 60 V HA -0.383 3.736 4.120 -0.000 0.000 0.255 60 V C 2.250 178.203 176.094 -0.235 0.000 1.081 60 V CA 2.419 64.549 62.300 -0.282 0.000 1.092 60 V CB -1.048 30.725 31.823 -0.083 0.000 0.673 60 V HN 0.388 nan 8.190 nan 0.000 0.470 61 Q N -0.534 119.183 119.800 -0.137 0.000 2.187 61 Q HA -0.119 4.220 4.340 -0.000 0.000 0.199 61 Q C 2.048 177.981 176.000 -0.112 0.000 0.957 61 Q CA 1.407 57.147 55.803 -0.105 0.000 0.857 61 Q CB -0.195 28.507 28.738 -0.059 0.000 0.929 61 Q HN 0.773 nan 8.270 nan 0.000 0.453 62 N N 0.084 118.707 118.700 -0.128 0.000 2.135 62 N HA -0.078 4.662 4.740 -0.000 0.000 0.186 62 N C 1.864 177.272 175.510 -0.171 0.000 1.027 62 N CA 0.731 53.717 53.050 -0.108 0.000 0.849 62 N CB 0.046 38.500 38.487 -0.056 0.000 1.002 62 N HN 0.130 nan 8.380 nan 0.000 0.425 63 M N 1.165 120.568 119.600 -0.328 0.000 2.163 63 M HA -0.245 4.235 4.480 -0.000 0.000 0.258 63 M C 2.297 178.477 176.300 -0.200 0.000 1.071 63 M CA 1.618 56.712 55.300 -0.342 0.000 1.093 63 M CB -1.155 31.110 32.600 -0.559 0.000 1.285 63 M HN 0.196 nan 8.290 nan 0.000 0.420 64 R N 0.756 121.142 120.500 -0.189 0.000 2.127 64 R HA -0.157 4.183 4.340 -0.000 0.000 0.228 64 R C 2.130 178.386 176.300 -0.073 0.000 1.125 64 R CA 2.150 58.180 56.100 -0.117 0.000 0.904 64 R CB -0.591 29.642 30.300 -0.111 0.000 0.831 64 R HN 0.339 nan 8.270 nan 0.000 0.431 65 I N 0.458 120.990 120.570 -0.063 0.000 2.502 65 I HA -0.206 3.963 4.170 -0.000 0.000 0.258 65 I C 2.298 178.403 176.117 -0.021 0.000 1.172 65 I CA 1.413 62.695 61.300 -0.031 0.000 1.430 65 I CB -0.474 37.512 38.000 -0.023 0.000 1.086 65 I HN 0.585 nan 8.210 nan 0.000 0.440 66 G N 0.151 108.928 108.800 -0.039 0.000 2.437 66 G HA2 0.004 3.964 3.960 -0.000 0.000 0.212 66 G HA3 0.004 3.964 3.960 -0.000 0.000 0.212 66 G C 1.630 176.520 174.900 -0.017 0.000 1.174 66 G CA 0.527 45.613 45.100 -0.024 0.000 0.811 66 G HN 0.446 nan 8.290 nan 0.000 0.537 67 A N -0.301 122.499 122.820 -0.034 0.000 2.259 67 A HA 0.440 4.759 4.320 -0.000 0.000 0.208 67 A C 1.854 179.438 177.584 0.000 0.000 1.201 67 A CA 0.502 52.527 52.037 -0.020 0.000 0.824 67 A CB -0.095 18.880 19.000 -0.042 0.000 0.838 67 A HN 0.372 nan 8.150 nan 0.000 0.485 68 L N -2.008 119.219 121.223 0.006 0.000 2.609 68 L HA 0.296 4.636 4.340 -0.000 0.000 0.230 68 L C 1.655 178.556 176.870 0.051 0.000 1.087 68 L CA 0.894 55.752 54.840 0.031 0.000 0.874 68 L CB 0.581 42.653 42.059 0.023 0.000 1.114 68 L HN 0.074 nan 8.230 nan 0.000 0.488 69 V N -0.691 119.245 119.914 0.036 0.000 3.649 69 V HA -0.008 4.112 4.120 -0.000 0.000 0.275 69 V C 1.752 177.867 176.094 0.035 0.000 1.281 69 V CA 0.841 63.164 62.300 0.039 0.000 1.143 69 V CB -0.047 31.793 31.823 0.029 0.000 0.892 69 V HN 0.575 nan 8.190 nan 0.000 0.441 70 Q N -0.048 119.778 119.800 0.042 0.000 2.212 70 Q HA 0.025 4.365 4.340 -0.000 0.000 0.199 70 Q C 1.625 177.675 176.000 0.083 0.000 0.950 70 Q CA 1.520 57.353 55.803 0.049 0.000 0.863 70 Q CB 0.203 28.970 28.738 0.049 0.000 0.944 70 Q HN 0.702 nan 8.270 nan 0.000 0.465 71 V N -2.461 117.523 119.914 0.116 0.000 3.189 71 V HA 0.402 4.522 4.120 -0.000 0.000 0.366 71 V C 1.397 177.555 176.094 0.105 0.000 1.313 71 V CA 0.430 62.865 62.300 0.225 0.000 1.302 71 V CB -0.491 31.452 31.823 0.201 0.000 1.260 71 V HN 0.144 nan 8.190 nan 0.000 0.484 72 A N 2.284 125.117 122.820 0.023 0.000 1.877 72 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 72 A C 1.930 179.474 177.584 -0.066 0.000 1.186 72 A CA 1.986 54.025 52.037 0.004 0.000 0.620 72 A CB -0.543 18.457 19.000 0.000 0.000 0.822 72 A HN 0.789 nan 8.150 nan 0.000 0.443 73 D N -1.222 119.053 120.400 -0.207 0.000 2.349 73 D HA -0.077 4.563 4.640 -0.000 0.000 0.224 73 D C -0.258 175.858 176.300 -0.306 0.000 1.029 73 D CA 0.279 54.119 54.000 -0.267 0.000 0.879 73 D CB -0.550 40.067 40.800 -0.304 0.000 0.906 73 D HN 0.543 nan 8.370 nan 0.000 0.528 74 H N 0.846 119.918 119.070 0.003 0.000 2.482 74 H HA 0.462 5.018 4.556 -0.000 0.000 0.231 74 H C 1.332 176.653 175.328 -0.013 0.000 1.612 74 H CA -0.275 55.778 56.048 0.008 0.000 1.279 74 H CB 0.870 30.645 29.762 0.022 0.000 1.562 74 H HN 0.096 nan 8.280 nan 0.000 0.553 75 A N 1.833 124.660 122.820 0.012 0.000 2.001 75 A HA -0.294 4.026 4.320 -0.000 0.000 0.224 75 A C 1.778 179.302 177.584 -0.100 0.000 1.203 75 A CA 1.757 53.711 52.037 -0.138 0.000 0.667 75 A CB -0.621 18.271 19.000 -0.179 0.000 0.823 75 A HN 0.486 nan 8.150 nan 0.000 0.473 76 F N -0.746 119.140 119.950 -0.107 0.000 2.664 76 F HA 0.269 4.795 4.527 -0.000 0.000 0.296 76 F C 1.279 177.084 175.800 0.008 0.000 1.125 76 F CA 0.328 58.284 58.000 -0.073 0.000 1.444 76 F CB 0.094 39.063 39.000 -0.051 0.000 1.114 76 F HN 0.094 nan 8.300 nan 0.000 0.576 77 L N 0.072 121.286 121.223 -0.015 0.000 2.685 77 L HA 0.086 4.426 4.340 -0.000 0.000 0.233 77 L C 1.104 177.989 176.870 0.025 0.000 1.173 77 L CA -0.139 54.658 54.840 -0.072 0.000 0.961 77 L CB 0.163 42.213 42.059 -0.014 0.000 1.217 77 L HN 0.208 nan 8.230 nan 0.000 0.478 78 L N -1.125 120.145 121.223 0.078 0.000 2.488 78 L HA 0.174 4.514 4.340 -0.000 0.000 0.186 78 L C 2.003 179.131 176.870 0.430 0.000 1.124 78 L CA 1.207 56.193 54.840 0.242 0.000 0.838 78 L CB -0.498 41.724 42.059 0.271 0.000 1.107 78 L HN 0.146 nan 8.230 nan 0.000 0.494 79 W N 1.639 122.934 121.300 -0.008 0.000 2.305 79 W HA -0.205 4.455 4.660 -0.000 0.000 0.308 79 W C -0.228 176.285 176.519 -0.011 0.000 1.226 79 W CA 1.174 58.523 57.345 0.006 0.000 1.253 79 W CB -1.398 28.073 29.460 0.017 0.000 1.146 79 W HN 0.290 nan 8.180 nan 0.000 0.507 80 P HA -0.190 nan 4.420 nan 0.000 0.215 80 P C 1.695 179.051 177.300 0.094 0.000 1.157 80 P CA 1.591 64.704 63.100 0.022 0.000 0.863 80 P CB -0.346 31.244 31.700 -0.183 0.000 0.787 81 L N -0.412 120.857 121.223 0.075 0.000 2.027 81 L HA -0.119 4.220 4.340 -0.000 0.000 0.206 81 L C 2.907 179.822 176.870 0.076 0.000 1.074 81 L CA 1.547 56.427 54.840 0.066 0.000 0.745 81 L CB -1.281 40.808 42.059 0.050 0.000 0.898 81 L HN -0.055 nan 8.230 nan 0.000 0.433 82 A N -0.131 122.745 122.820 0.093 0.000 1.927 82 A HA -0.310 4.010 4.320 -0.000 0.000 0.220 82 A C 2.130 179.732 177.584 0.030 0.000 1.185 82 A CA 2.026 54.083 52.037 0.033 0.000 0.639 82 A CB -0.846 18.141 19.000 -0.023 0.000 0.820 82 A HN 0.408 nan 8.150 nan 0.000 0.451 83 F N -0.077 119.843 119.950 -0.050 0.000 2.053 83 F HA -0.040 4.487 4.527 -0.000 0.000 0.292 83 F C 2.049 177.826 175.800 -0.037 0.000 1.125 83 F CA 1.553 59.522 58.000 -0.051 0.000 1.193 83 F CB -0.349 38.628 39.000 -0.038 0.000 0.996 83 F HN 0.268 nan 8.300 nan 0.000 0.470 84 I N 0.237 120.932 120.570 0.208 0.000 2.087 84 I HA -0.354 3.816 4.170 -0.000 0.000 0.240 84 I C 2.155 178.249 176.117 -0.038 0.000 1.054 84 I CA 1.518 62.870 61.300 0.086 0.000 1.311 84 I CB -0.442 37.617 38.000 0.097 0.000 1.024 84 I HN 0.156 nan 8.210 nan 0.000 0.402 85 L N 0.719 121.924 121.223 -0.030 0.000 1.978 85 L HA -0.278 4.062 4.340 -0.000 0.000 0.218 85 L C 2.771 179.589 176.870 -0.087 0.000 1.075 85 L CA 2.438 57.245 54.840 -0.054 0.000 0.767 85 L CB -1.970 40.060 42.059 -0.048 0.000 0.890 85 L HN 0.352 nan 8.230 nan 0.000 0.434 86 S N -0.279 115.348 115.700 -0.121 0.000 2.368 86 S HA -0.122 4.348 4.470 -0.000 0.000 0.225 86 S C 2.125 176.619 174.600 -0.178 0.000 1.030 86 S CA 1.121 59.236 58.200 -0.142 0.000 0.999 86 S CB -0.264 62.835 63.200 -0.168 0.000 0.844 86 S HN 0.527 nan 8.310 nan 0.000 0.459 87 A N 1.648 124.295 122.820 -0.287 0.000 1.883 87 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 87 A C 2.125 179.629 177.584 -0.134 0.000 1.186 87 A CA 1.265 53.118 52.037 -0.305 0.000 0.624 87 A CB -0.783 17.950 19.000 -0.445 0.000 0.822 87 A HN 0.440 nan 8.150 nan 0.000 0.444 88 L N -0.789 120.383 121.223 -0.085 0.000 1.961 88 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 88 L C 2.645 179.508 176.870 -0.011 0.000 1.072 88 L CA 1.319 56.137 54.840 -0.037 0.000 0.749 88 L CB -0.830 41.212 42.059 -0.028 0.000 0.889 88 L HN 0.361 nan 8.230 nan 0.000 0.432 89 L N -0.062 121.150 121.223 -0.019 0.000 2.010 89 L HA -0.320 4.019 4.340 -0.000 0.000 0.219 89 L C 2.913 179.813 176.870 0.051 0.000 1.077 89 L CA 1.595 56.438 54.840 0.006 0.000 0.773 89 L CB -0.819 41.227 42.059 -0.022 0.000 0.892 89 L HN 0.338 nan 8.230 nan 0.000 0.436 90 A N -0.434 122.414 122.820 0.048 0.000 1.865 90 A HA -0.271 4.048 4.320 -0.000 0.000 0.217 90 A C 2.284 180.023 177.584 0.258 0.000 1.191 90 A CA 2.112 54.244 52.037 0.157 0.000 0.623 90 A CB -0.580 18.484 19.000 0.107 0.000 0.826 90 A HN 0.378 nan 8.150 nan 0.000 0.444 91 M N -0.670 119.002 119.600 0.120 0.000 2.106 91 M HA -0.184 4.296 4.480 -0.000 0.000 0.259 91 M C 2.115 178.545 176.300 0.217 0.000 1.068 91 M CA 1.587 56.971 55.300 0.141 0.000 1.100 91 M CB -0.602 32.019 32.600 0.035 0.000 1.351 91 M HN 0.282 nan 8.290 nan 0.000 0.404 92 V N 0.254 120.260 119.914 0.154 0.000 2.324 92 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 92 V C 2.521 178.727 176.094 0.187 0.000 1.060 92 V CA 2.269 64.669 62.300 0.167 0.000 1.042 92 V CB -1.626 30.260 31.823 0.106 0.000 0.650 92 V HN 0.656 nan 8.190 nan 0.000 0.450 93 G N -1.659 107.238 108.800 0.162 0.000 2.434 93 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.214 93 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.214 93 G C 1.421 176.349 174.900 0.047 0.000 1.202 93 G CA 0.993 46.138 45.100 0.076 0.000 0.788 93 G HN 0.494 nan 8.290 nan 0.000 0.539 94 Y N -0.208 120.120 120.300 0.048 0.000 2.128 94 Y HA -0.079 4.471 4.550 -0.000 0.000 0.284 94 Y C 2.418 178.313 175.900 -0.008 0.000 1.154 94 Y CA 1.279 59.388 58.100 0.014 0.000 1.149 94 Y CB -0.749 37.766 38.460 0.092 0.000 0.976 94 Y HN 0.213 nan 8.280 nan 0.000 0.505 95 F N 0.382 120.405 119.950 0.121 0.000 2.026 95 F HA -0.259 4.268 4.527 -0.000 0.000 0.296 95 F C 2.072 177.892 175.800 0.032 0.000 1.133 95 F CA 1.556 59.590 58.000 0.058 0.000 1.188 95 F CB -0.951 38.090 39.000 0.068 0.000 0.968 95 F HN -0.073 nan 8.300 nan 0.000 0.476 96 L N -0.438 120.700 121.223 -0.141 0.000 2.137 96 L HA -0.287 4.053 4.340 -0.000 0.000 0.213 96 L C 2.299 179.037 176.870 -0.220 0.000 1.085 96 L CA 1.230 55.901 54.840 -0.283 0.000 0.760 96 L CB -0.972 40.980 42.059 -0.179 0.000 0.893 96 L HN 0.142 nan 8.230 nan 0.000 0.434 97 V N -0.776 119.018 119.914 -0.199 0.000 2.255 97 V HA -0.195 3.925 4.120 -0.000 0.000 0.243 97 V C 2.620 178.546 176.094 -0.280 0.000 1.038 97 V CA 1.399 63.565 62.300 -0.223 0.000 1.008 97 V CB -0.549 31.118 31.823 -0.261 0.000 0.645 97 V HN 0.382 nan 8.190 nan 0.000 0.449 98 R N 0.194 120.473 120.500 -0.368 0.000 2.117 98 R HA -0.188 4.152 4.340 -0.000 0.000 0.243 98 R C 2.206 178.317 176.300 -0.315 0.000 1.143 98 R CA 1.746 57.589 56.100 -0.428 0.000 0.968 98 R CB -0.532 29.503 30.300 -0.442 0.000 0.863 98 R HN 0.536 nan 8.270 nan 0.000 0.444 99 K N -0.855 119.345 120.400 -0.332 0.000 2.063 99 K HA 0.011 4.330 4.320 -0.000 0.000 0.204 99 K C 1.861 178.322 176.600 -0.231 0.000 1.039 99 K CA 0.766 56.869 56.287 -0.307 0.000 0.957 99 K CB 0.007 32.215 32.500 -0.486 0.000 0.764 99 K HN -0.058 nan 8.250 nan 0.000 0.447 100 F N 0.351 120.113 119.950 -0.313 0.000 2.317 100 F HA 0.273 4.800 4.527 -0.000 0.000 0.293 100 F C 0.542 176.234 175.800 -0.180 0.000 1.085 100 F CA 0.250 58.127 58.000 -0.205 0.000 1.390 100 F CB 0.477 39.373 39.000 -0.174 0.000 1.077 100 F HN 0.006 nan 8.300 nan 0.000 0.517 101 A N -0.576 122.236 122.820 -0.012 0.000 2.839 101 A HA 0.489 4.809 4.320 -0.000 0.000 0.303 101 A C -2.180 175.320 177.584 -0.140 0.000 1.181 101 A CA -0.853 51.129 52.037 -0.093 0.000 0.808 101 A CB 0.161 19.102 19.000 -0.099 0.000 1.391 101 A HN -0.047 nan 8.150 nan 0.000 0.433 102 P HA -0.226 nan 4.420 nan 0.000 0.215 102 P C 1.537 178.749 177.300 -0.148 0.000 1.153 102 P CA 1.730 64.720 63.100 -0.184 0.000 0.853 102 P CB 0.280 31.879 31.700 -0.168 0.000 0.788 103 E N 0.073 120.199 120.200 -0.123 0.000 2.401 103 E HA -0.143 4.206 4.350 -0.000 0.000 0.199 103 E C 1.521 178.057 176.600 -0.107 0.000 1.023 103 E CA 1.456 57.795 56.400 -0.102 0.000 0.859 103 E CB -0.937 28.702 29.700 -0.102 0.000 0.780 103 E HN 0.189 nan 8.360 nan 0.000 0.523 104 A N 1.531 124.275 122.820 -0.126 0.000 2.208 104 A HA 0.274 4.594 4.320 -0.000 0.000 0.209 104 A C 1.406 178.913 177.584 -0.129 0.000 1.161 104 A CA 0.473 52.435 52.037 -0.124 0.000 0.782 104 A CB -0.337 18.588 19.000 -0.125 0.000 0.816 104 A HN 0.306 nan 8.150 nan 0.000 0.477 105 G N -1.692 107.023 108.800 -0.143 0.000 2.599 105 G HA2 0.540 4.499 3.960 -0.000 0.000 0.264 105 G HA3 0.540 4.499 3.960 -0.000 0.000 0.264 105 G C 0.759 175.586 174.900 -0.120 0.000 1.200 105 G CA 0.129 45.134 45.100 -0.159 0.000 0.896 105 G HN 1.457 nan 8.290 nan 0.000 0.536 106 G N -0.591 108.121 108.800 -0.147 0.000 2.645 106 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.246 106 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.246 106 G C 1.445 176.360 174.900 0.025 0.000 1.322 106 G CA 0.844 45.838 45.100 -0.176 0.000 0.898 106 G HN 1.728 nan 8.290 nan 0.000 0.573 107 S N -0.630 115.207 115.700 0.228 0.000 2.354 107 S HA 0.163 4.633 4.470 -0.000 0.000 0.219 107 S C 2.614 177.243 174.600 0.047 0.000 1.035 107 S CA 3.496 61.873 58.200 0.296 0.000 1.037 107 S CB -0.765 62.670 63.200 0.392 0.000 0.956 107 S HN 2.882 nan 8.310 nan 0.000 0.428 108 G N 0.076 108.870 108.800 -0.011 0.000 2.284 108 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 108 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 108 G C 0.937 175.769 174.900 -0.115 0.000 1.009 108 G CA 0.309 45.366 45.100 -0.072 0.000 0.625 108 G HN 0.534 nan 8.290 nan 0.000 0.501 109 I N 2.420 122.866 120.570 -0.208 0.000 2.252 109 I HA -0.059 4.111 4.170 -0.000 0.000 0.245 109 I C 0.508 176.503 176.117 -0.203 0.000 1.102 109 I CA 1.625 62.751 61.300 -0.290 0.000 1.385 109 I CB -0.925 36.695 38.000 -0.634 0.000 1.064 109 I HN 0.224 nan 8.210 nan 0.000 0.414 110 P HA -0.154 nan 4.420 nan 0.000 0.225 110 P C 1.086 178.393 177.300 0.013 0.000 1.148 110 P CA 1.393 64.490 63.100 -0.006 0.000 0.779 110 P CB 0.020 31.773 31.700 0.088 0.000 0.780 111 E N -0.077 120.112 120.200 -0.018 0.000 2.060 111 E HA -0.025 4.325 4.350 -0.000 0.000 0.189 111 E C 2.204 178.799 176.600 -0.008 0.000 0.974 111 E CA 0.579 56.971 56.400 -0.013 0.000 0.808 111 E CB -0.567 29.111 29.700 -0.037 0.000 0.768 111 E HN 0.219 nan 8.360 nan 0.000 0.453 112 I N 1.568 122.127 120.570 -0.019 0.000 2.335 112 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 112 I C 2.394 178.531 176.117 0.032 0.000 1.129 112 I CA 1.172 62.472 61.300 -0.001 0.000 1.402 112 I CB -0.903 37.094 38.000 -0.004 0.000 1.069 112 I HN 0.230 nan 8.210 nan 0.000 0.424 113 E N 0.882 121.108 120.200 0.043 0.000 2.072 113 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 113 E C 2.354 178.993 176.600 0.066 0.000 0.985 113 E CA 1.225 57.668 56.400 0.072 0.000 0.801 113 E CB -0.213 29.545 29.700 0.098 0.000 0.750 113 E HN 0.444 nan 8.360 nan 0.000 0.452 114 G N 0.663 109.494 108.800 0.053 0.000 2.402 114 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 114 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 114 G C 1.658 176.588 174.900 0.050 0.000 1.162 114 G CA 0.827 45.958 45.100 0.052 0.000 0.777 114 G HN 0.406 nan 8.290 nan 0.000 0.539 115 A N 0.786 123.627 122.820 0.034 0.000 1.908 115 A HA 0.046 4.365 4.320 -0.000 0.000 0.218 115 A C 2.304 179.913 177.584 0.042 0.000 1.181 115 A CA 1.216 53.267 52.037 0.023 0.000 0.627 115 A CB -0.456 18.546 19.000 0.003 0.000 0.818 115 A HN 0.355 nan 8.150 nan 0.000 0.445 116 L N -0.957 120.311 121.223 0.075 0.000 2.633 116 L HA -0.084 4.256 4.340 -0.000 0.000 0.235 116 L C 1.364 178.373 176.870 0.231 0.000 1.163 116 L CA 0.861 55.800 54.840 0.165 0.000 0.859 116 L CB -0.253 41.893 42.059 0.145 0.000 0.973 116 L HN 0.471 nan 8.230 nan 0.000 0.451 117 E N -0.999 119.292 120.200 0.151 0.000 2.660 117 E HA 0.027 4.376 4.350 -0.000 0.000 0.216 117 E C 0.015 176.693 176.600 0.129 0.000 0.986 117 E CA -0.132 56.353 56.400 0.141 0.000 1.037 117 E CB 0.651 30.407 29.700 0.094 0.000 1.041 117 E HN 0.178 nan 8.360 nan 0.000 0.480 118 E N -0.971 119.302 120.200 0.121 0.000 3.916 118 E HA -0.225 4.125 4.350 -0.000 0.000 0.331 118 E C 0.743 177.382 176.600 0.064 0.000 0.729 118 E CA 0.632 57.085 56.400 0.089 0.000 1.222 118 E CB -1.240 28.520 29.700 0.100 0.000 1.633 118 E HN 0.221 nan 8.360 nan 0.000 0.437 119 L N -0.363 120.897 121.223 0.062 0.000 2.592 119 L HA 0.213 4.553 4.340 -0.000 0.000 0.227 119 L C 0.713 177.606 176.870 0.038 0.000 1.127 119 L CA 0.593 55.463 54.840 0.049 0.000 0.884 119 L CB -0.066 42.024 42.059 0.052 0.000 1.065 119 L HN -0.011 nan 8.230 nan 0.000 0.457 120 R N 0.154 120.674 120.500 0.034 0.000 2.535 120 R HA 0.447 4.787 4.340 -0.000 0.000 0.274 120 R C -2.808 173.499 176.300 0.011 0.000 1.090 120 R CA -1.533 54.578 56.100 0.019 0.000 0.930 120 R CB 1.696 32.006 30.300 0.017 0.000 1.223 120 R HN -0.275 nan 8.270 nan 0.000 0.441 121 P HA 0.170 nan 4.420 nan 0.000 0.274 121 P C -0.852 176.422 177.300 -0.042 0.000 1.237 121 P CA -0.322 62.776 63.100 -0.003 0.000 0.793 121 P CB 1.187 32.888 31.700 0.001 0.000 0.977 122 V N 3.677 123.569 119.914 -0.036 0.000 2.276 122 V HA 0.250 4.370 4.120 -0.000 0.000 0.268 122 V C 0.969 176.934 176.094 -0.216 0.000 1.032 122 V CA -0.456 61.803 62.300 -0.067 0.000 0.810 122 V CB 0.168 32.008 31.823 0.029 0.000 1.060 122 V HN 0.448 nan 8.190 nan 0.000 0.446 123 R N 4.710 124.888 120.500 -0.537 0.000 4.138 123 R HA 0.084 4.424 4.340 -0.000 0.000 0.206 123 R C 1.423 176.925 176.300 -1.329 0.000 1.667 123 R CA -0.327 54.884 56.100 -1.480 0.000 1.481 123 R CB 0.094 29.644 30.300 -1.251 0.000 1.388 123 R HN 0.934 nan 8.270 nan 0.000 0.776 124 W N 1.195 122.056 121.300 -0.731 0.000 2.341 124 W HA -0.242 4.418 4.660 -0.000 0.000 0.283 124 W C 0.610 177.022 176.519 -0.177 0.000 1.215 124 W CA 0.601 57.764 57.345 -0.304 0.000 1.211 124 W CB -1.028 28.398 29.460 -0.057 0.000 1.131 124 W HN 0.527 nan 8.180 nan 0.000 0.552 125 W N 2.983 123.959 121.300 -0.539 0.000 2.402 125 W HA -0.024 4.635 4.660 -0.000 0.000 0.286 125 W C 2.300 178.726 176.519 -0.154 0.000 1.221 125 W CA 2.058 59.135 57.345 -0.446 0.000 1.257 125 W CB -1.295 27.745 29.460 -0.701 0.000 1.120 125 W HN -0.089 nan 8.180 nan 0.000 0.551 126 R N 0.076 120.334 120.500 -0.404 0.000 2.195 126 R HA 0.199 4.539 4.340 -0.000 0.000 0.197 126 R C 1.621 177.832 176.300 -0.149 0.000 0.990 126 R CA 0.726 56.729 56.100 -0.162 0.000 1.048 126 R CB -0.918 29.302 30.300 -0.133 0.000 0.997 126 R HN 0.205 nan 8.270 nan 0.000 0.502 127 V N 2.137 121.915 119.914 -0.228 0.000 2.379 127 V HA -0.139 3.981 4.120 -0.000 0.000 0.245 127 V C 2.445 178.505 176.094 -0.056 0.000 1.044 127 V CA 1.346 63.560 62.300 -0.142 0.000 1.036 127 V CB -0.514 31.210 31.823 -0.165 0.000 0.664 127 V HN 0.178 nan 8.190 nan 0.000 0.453 128 L N -0.035 121.188 121.223 0.001 0.000 1.971 128 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 128 L C 0.192 177.103 176.870 0.068 0.000 1.072 128 L CA 2.329 57.204 54.840 0.059 0.000 0.758 128 L CB -1.649 40.488 42.059 0.130 0.000 0.889 128 L HN 0.383 nan 8.230 nan 0.000 0.433 129 P HA -0.071 nan 4.420 nan 0.000 0.217 129 P C 1.928 179.246 177.300 0.030 0.000 1.154 129 P CA 0.774 63.883 63.100 0.016 0.000 0.841 129 P CB 0.116 31.804 31.700 -0.021 0.000 0.788 130 V N 0.638 120.537 119.914 -0.025 0.000 2.231 130 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 130 V C 2.515 178.602 176.094 -0.013 0.000 1.054 130 V CA 2.262 64.527 62.300 -0.058 0.000 1.015 130 V CB -1.017 30.756 31.823 -0.085 0.000 0.638 130 V HN 0.065 nan 8.190 nan 0.000 0.444 131 K N -0.460 119.926 120.400 -0.023 0.000 2.103 131 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 131 K C 1.877 178.470 176.600 -0.012 0.000 1.048 131 K CA 1.766 58.020 56.287 -0.056 0.000 0.930 131 K CB -0.584 31.848 32.500 -0.113 0.000 0.716 131 K HN 0.413 nan 8.250 nan 0.000 0.444 132 F N 0.503 120.408 119.950 -0.074 0.000 2.014 132 F HA -0.136 4.390 4.527 -0.000 0.000 0.295 132 F C 1.881 177.801 175.800 0.200 0.000 1.145 132 F CA 1.849 59.877 58.000 0.046 0.000 1.178 132 F CB -0.199 38.830 39.000 0.048 0.000 0.972 132 F HN -0.057 nan 8.300 nan 0.000 0.476 133 I N 0.124 120.977 120.570 0.472 0.000 2.226 133 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 133 I C 2.697 178.921 176.117 0.178 0.000 1.100 133 I CA 1.374 62.859 61.300 0.309 0.000 1.374 133 I CB -1.354 36.747 38.000 0.168 0.000 1.057 133 I HN 0.376 nan 8.210 nan 0.000 0.413 134 G N 0.645 109.509 108.800 0.106 0.000 2.446 134 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 134 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 134 G C 1.705 176.647 174.900 0.069 0.000 1.168 134 G CA 0.911 46.038 45.100 0.045 0.000 0.771 134 G HN 0.501 nan 8.290 nan 0.000 0.551 135 G N 0.391 109.267 108.800 0.126 0.000 2.422 135 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 135 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 135 G C 1.767 176.785 174.900 0.198 0.000 1.140 135 G CA 1.013 46.245 45.100 0.221 0.000 0.775 135 G HN 0.450 nan 8.290 nan 0.000 0.545 136 M N 1.012 120.718 119.600 0.177 0.000 2.213 136 M HA 0.083 4.563 4.480 -0.000 0.000 0.263 136 M C 2.376 178.687 176.300 0.019 0.000 1.062 136 M CA 1.878 57.174 55.300 -0.006 0.000 1.105 136 M CB -0.159 32.504 32.600 0.105 0.000 1.385 136 M HN 0.183 nan 8.290 nan 0.000 0.417 137 G N -0.395 108.443 108.800 0.062 0.000 2.499 137 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.213 137 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.213 137 G C 1.391 176.311 174.900 0.034 0.000 1.230 137 G CA 1.208 46.338 45.100 0.049 0.000 0.813 137 G HN 0.545 nan 8.290 nan 0.000 0.542 138 T N -0.011 114.572 114.554 0.047 0.000 2.778 138 T HA -0.034 4.316 4.350 -0.000 0.000 0.269 138 T C 2.401 177.118 174.700 0.028 0.000 1.050 138 T CA 1.338 63.468 62.100 0.050 0.000 1.137 138 T CB -0.247 68.634 68.868 0.020 0.000 0.860 138 T HN 0.145 nan 8.240 nan 0.000 0.468 139 L N 0.515 121.745 121.223 0.011 0.000 2.127 139 L HA 0.278 4.617 4.340 -0.000 0.000 0.203 139 L C 3.153 179.995 176.870 -0.047 0.000 1.080 139 L CA 0.961 55.791 54.840 -0.017 0.000 0.768 139 L CB -0.728 41.309 42.059 -0.037 0.000 0.924 139 L HN 0.454 nan 8.230 nan 0.000 0.444 140 G N -0.562 108.202 108.800 -0.060 0.000 2.509 140 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.218 140 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.218 140 G C 1.712 176.577 174.900 -0.059 0.000 1.124 140 G CA 0.727 45.786 45.100 -0.069 0.000 0.776 140 G HN 0.427 nan 8.290 nan 0.000 0.547 141 A N -0.111 122.686 122.820 -0.039 0.000 1.898 141 A HA 0.391 4.711 4.320 -0.000 0.000 0.216 141 A C 2.168 179.724 177.584 -0.047 0.000 1.181 141 A CA 2.044 54.056 52.037 -0.043 0.000 0.620 141 A CB -0.419 18.569 19.000 -0.021 0.000 0.819 141 A HN 1.516 nan 8.150 nan 0.000 0.442 142 G N -2.952 105.828 108.800 -0.033 0.000 2.227 142 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.168 142 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.168 142 G C 0.250 175.140 174.900 -0.017 0.000 1.006 142 G CA -0.017 45.065 45.100 -0.031 0.000 0.684 142 G HN 0.316 nan 8.290 nan 0.000 0.489 143 M N 0.962 120.562 119.600 -0.001 0.000 2.252 143 M HA 0.240 4.720 4.480 -0.000 0.000 0.321 143 M C 1.023 177.339 176.300 0.025 0.000 1.070 143 M CA 0.341 55.656 55.300 0.025 0.000 1.143 143 M CB 0.801 33.438 32.600 0.062 0.000 1.498 143 M HN -0.097 nan 8.290 nan 0.000 0.445 144 V N 4.949 124.887 119.914 0.040 0.000 2.157 144 V HA 0.161 4.281 4.120 -0.000 0.000 0.241 144 V C 0.064 176.194 176.094 0.060 0.000 1.349 144 V CA 0.372 62.691 62.300 0.032 0.000 1.319 144 V CB -1.573 30.271 31.823 0.034 0.000 1.421 144 V HN 0.537 nan 8.190 nan 0.000 0.501 145 L N 2.205 123.452 121.223 0.040 0.000 2.393 145 L HA 0.819 5.159 4.340 -0.000 0.000 0.260 145 L C 0.604 177.484 176.870 0.015 0.000 1.002 145 L CA -0.642 54.240 54.840 0.070 0.000 0.818 145 L CB 2.209 44.327 42.059 0.098 0.000 1.369 145 L HN 0.491 nan 8.230 nan 0.000 0.412 146 G N -0.097 108.724 108.800 0.037 0.000 2.437 146 G HA2 0.449 4.409 3.960 -0.000 0.000 0.319 146 G HA3 0.449 4.409 3.960 -0.000 0.000 0.319 146 G C 0.470 175.382 174.900 0.020 0.000 1.158 146 G CA -0.582 44.514 45.100 -0.006 0.000 0.899 146 G HN 0.828 nan 8.290 nan 0.000 0.502 147 R N -0.303 120.189 120.500 -0.014 0.000 2.297 147 R HA 0.065 4.404 4.340 -0.000 0.000 0.197 147 R C 1.427 177.688 176.300 -0.064 0.000 0.943 147 R CA 0.826 56.965 56.100 0.065 0.000 1.038 147 R CB 0.078 30.442 30.300 0.107 0.000 0.957 147 R HN 0.539 nan 8.270 nan 0.000 0.484 148 E N 1.904 122.011 120.200 -0.155 0.000 2.152 148 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 148 E C 1.746 178.242 176.600 -0.173 0.000 0.983 148 E CA 1.349 57.612 56.400 -0.228 0.000 0.818 148 E CB -0.689 28.850 29.700 -0.269 0.000 0.758 148 E HN 0.341 nan 8.360 nan 0.000 0.467 149 G N 3.072 111.820 108.800 -0.086 0.000 2.628 149 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 149 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 149 G C -0.417 174.391 174.900 -0.153 0.000 1.240 149 G CA 1.852 46.912 45.100 -0.067 0.000 0.792 149 G HN 0.398 nan 8.290 nan 0.000 0.593 150 P HA -0.183 nan 4.420 nan 0.000 0.214 150 P C 2.245 179.308 177.300 -0.396 0.000 1.163 150 P CA 3.050 65.917 63.100 -0.389 0.000 0.883 150 P CB -0.724 30.541 31.700 -0.725 0.000 0.788 151 T N -1.761 112.558 114.554 -0.393 0.000 2.699 151 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 151 T C 2.059 176.643 174.700 -0.194 0.000 1.036 151 T CA 1.684 63.617 62.100 -0.279 0.000 1.147 151 T CB -1.641 67.108 68.868 -0.198 0.000 0.862 151 T HN -0.104 nan 8.240 nan 0.000 0.446 152 V N 1.697 121.497 119.914 -0.190 0.000 2.427 152 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 152 V C 2.914 178.934 176.094 -0.123 0.000 1.051 152 V CA 2.071 64.280 62.300 -0.152 0.000 1.048 152 V CB -0.826 30.884 31.823 -0.188 0.000 0.666 152 V HN 0.565 nan 8.190 nan 0.000 0.456 153 Q N -0.401 119.314 119.800 -0.141 0.000 2.083 153 Q HA -0.123 4.217 4.340 -0.000 0.000 0.198 153 Q C 2.260 178.196 176.000 -0.105 0.000 0.969 153 Q CA 1.586 57.320 55.803 -0.115 0.000 0.838 153 Q CB -0.081 28.582 28.738 -0.123 0.000 0.900 153 Q HN 0.609 nan 8.270 nan 0.000 0.436 154 I N 0.176 120.663 120.570 -0.138 0.000 2.226 154 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 154 I C 2.249 178.322 176.117 -0.073 0.000 1.100 154 I CA 1.167 62.405 61.300 -0.104 0.000 1.374 154 I CB -0.562 37.350 38.000 -0.148 0.000 1.057 154 I HN 0.383 nan 8.210 nan 0.000 0.413 155 G N 0.385 109.135 108.800 -0.084 0.000 2.421 155 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.216 155 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.216 155 G C 1.703 176.570 174.900 -0.055 0.000 1.171 155 G CA 0.830 45.892 45.100 -0.064 0.000 0.775 155 G HN 0.495 nan 8.290 nan 0.000 0.543 156 G N 0.948 109.717 108.800 -0.051 0.000 2.446 156 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 156 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 156 G C 1.739 176.615 174.900 -0.039 0.000 1.168 156 G CA 1.254 46.331 45.100 -0.038 0.000 0.771 156 G HN 0.485 nan 8.290 nan 0.000 0.551 157 N N 0.210 118.890 118.700 -0.033 0.000 2.142 157 N HA 0.011 4.751 4.740 -0.000 0.000 0.186 157 N C 2.204 177.681 175.510 -0.055 0.000 1.023 157 N CA 0.616 53.667 53.050 0.002 0.000 0.852 157 N CB -0.267 38.244 38.487 0.039 0.000 0.998 157 N HN 0.271 nan 8.380 nan 0.000 0.424 158 L N -0.011 121.170 121.223 -0.071 0.000 2.042 158 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 158 L C 2.402 179.169 176.870 -0.171 0.000 1.076 158 L CA 1.380 56.145 54.840 -0.124 0.000 0.749 158 L CB -0.929 41.080 42.059 -0.083 0.000 0.893 158 L HN 0.309 nan 8.230 nan 0.000 0.432 159 G N -0.235 108.493 108.800 -0.121 0.000 2.421 159 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.216 159 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.216 159 G C 1.689 176.505 174.900 -0.139 0.000 1.171 159 G CA 0.834 45.865 45.100 -0.116 0.000 0.775 159 G HN 0.194 nan 8.290 nan 0.000 0.543 160 R N 0.137 120.558 120.500 -0.132 0.000 2.092 160 R HA 0.112 4.451 4.340 -0.000 0.000 0.231 160 R C 2.420 178.532 176.300 -0.314 0.000 1.119 160 R CA 1.589 57.621 56.100 -0.113 0.000 0.970 160 R CB -0.700 29.612 30.300 0.019 0.000 0.864 160 R HN 0.437 nan 8.270 nan 0.000 0.440 161 M N -0.463 118.722 119.600 -0.691 0.000 2.126 161 M HA -0.205 4.275 4.480 -0.000 0.000 0.259 161 M C 1.781 177.720 176.300 -0.603 0.000 1.073 161 M CA 2.287 56.778 55.300 -1.348 0.000 1.103 161 M CB -0.335 31.455 32.600 -1.350 0.000 1.284 161 M HN 0.074 nan 8.290 nan 0.000 0.420 162 V N 1.145 120.852 119.914 -0.345 0.000 2.277 162 V HA -0.334 3.786 4.120 -0.000 0.000 0.253 162 V C 2.466 178.570 176.094 0.015 0.000 1.067 162 V CA 2.118 64.359 62.300 -0.098 0.000 1.047 162 V CB -1.022 30.719 31.823 -0.137 0.000 0.649 162 V HN 0.567 nan 8.190 nan 0.000 0.447 163 L N 0.059 121.246 121.223 -0.060 0.000 2.043 163 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 163 L C 2.127 179.038 176.870 0.068 0.000 1.075 163 L CA 2.133 56.976 54.840 0.006 0.000 0.752 163 L CB -0.894 41.150 42.059 -0.025 0.000 0.891 163 L HN 0.378 nan 8.230 nan 0.000 0.432 164 D N -1.226 119.199 120.400 0.041 0.000 2.123 164 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 164 D C 2.269 178.635 176.300 0.110 0.000 0.976 164 D CA 1.722 55.794 54.000 0.119 0.000 0.831 164 D CB -0.265 40.690 40.800 0.258 0.000 0.974 164 D HN 0.392 nan 8.370 nan 0.000 0.469 165 V N -1.271 118.687 119.914 0.075 0.000 2.626 165 V HA -0.130 3.990 4.120 -0.000 0.000 0.252 165 V C 1.718 177.753 176.094 -0.098 0.000 1.067 165 V CA 1.295 63.596 62.300 0.001 0.000 1.081 165 V CB -0.891 30.901 31.823 -0.052 0.000 0.686 165 V HN -0.067 nan 8.190 nan 0.000 0.468 166 F N 0.871 120.817 119.950 -0.006 0.000 2.727 166 F HA 0.510 5.037 4.527 -0.000 0.000 0.302 166 F C 1.372 177.181 175.800 0.015 0.000 1.097 166 F CA -0.266 57.740 58.000 0.009 0.000 1.330 166 F CB -0.213 38.797 39.000 0.017 0.000 1.084 166 F HN 0.122 nan 8.300 nan 0.000 0.578 167 R N 0.157 120.744 120.500 0.145 0.000 3.322 167 R HA -0.182 4.158 4.340 -0.000 0.000 0.266 167 R C -0.661 175.696 176.300 0.095 0.000 1.072 167 R CA 0.261 56.418 56.100 0.096 0.000 0.715 167 R CB -2.261 28.073 30.300 0.056 0.000 1.199 167 R HN 0.258 nan 8.270 nan 0.000 0.421 168 M N 0.784 120.444 119.600 0.100 0.000 2.063 168 M HA 0.242 4.722 4.480 -0.000 0.000 0.348 168 M C 1.190 177.522 176.300 0.053 0.000 1.180 168 M CA -0.214 55.129 55.300 0.072 0.000 1.059 168 M CB 1.292 33.930 32.600 0.064 0.000 1.544 168 M HN 0.042 nan 8.290 nan 0.000 0.447 169 R N 0.652 121.180 120.500 0.046 0.000 2.397 169 R HA 0.130 4.470 4.340 -0.000 0.000 0.241 169 R C 0.398 176.719 176.300 0.035 0.000 0.914 169 R CA 0.030 56.153 56.100 0.039 0.000 1.071 169 R CB 0.237 30.561 30.300 0.039 0.000 1.116 169 R HN 0.715 nan 8.270 nan 0.000 0.524 170 S N 0.347 116.069 115.700 0.037 0.000 2.533 170 S HA 0.202 4.672 4.470 -0.000 0.000 0.282 170 S C 1.488 176.120 174.600 0.054 0.000 1.304 170 S CA 0.150 58.375 58.200 0.042 0.000 1.063 170 S CB 1.697 64.920 63.200 0.038 0.000 0.881 170 S HN 0.247 nan 8.310 nan 0.000 0.493 171 A N 2.497 125.364 122.820 0.079 0.000 1.958 171 A HA -0.219 4.101 4.320 -0.000 0.000 0.221 171 A C 2.137 179.850 177.584 0.215 0.000 1.178 171 A CA 1.967 54.100 52.037 0.159 0.000 0.642 171 A CB -0.995 18.114 19.000 0.182 0.000 0.816 171 A HN 1.009 nan 8.150 nan 0.000 0.453 172 E N -0.473 119.799 120.200 0.120 0.000 2.072 172 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 172 E C 2.137 178.774 176.600 0.061 0.000 0.985 172 E CA 0.886 57.338 56.400 0.087 0.000 0.801 172 E CB -0.242 29.484 29.700 0.044 0.000 0.750 172 E HN 0.562 nan 8.360 nan 0.000 0.452 173 A N 1.544 124.389 122.820 0.042 0.000 1.930 173 A HA -0.175 4.144 4.320 -0.000 0.000 0.217 173 A C 2.180 179.764 177.584 0.000 0.000 1.175 173 A CA 1.475 53.524 52.037 0.019 0.000 0.627 173 A CB -0.510 18.502 19.000 0.021 0.000 0.815 173 A HN 0.241 nan 8.150 nan 0.000 0.443 174 R N -1.230 119.262 120.500 -0.013 0.000 2.062 174 R HA -0.165 4.175 4.340 -0.000 0.000 0.231 174 R C 2.098 178.313 176.300 -0.141 0.000 1.136 174 R CA 1.713 57.758 56.100 -0.092 0.000 0.948 174 R CB -0.514 29.696 30.300 -0.150 0.000 0.845 174 R HN 0.648 nan 8.270 nan 0.000 0.430 175 H N -0.519 118.540 119.070 -0.018 0.000 2.389 175 H HA -0.038 4.518 4.556 -0.000 0.000 0.299 175 H C 1.944 177.233 175.328 -0.064 0.000 1.081 175 H CA 1.867 57.892 56.048 -0.040 0.000 1.345 175 H CB 0.001 29.731 29.762 -0.053 0.000 1.393 175 H HN 0.314 nan 8.280 nan 0.000 0.520 176 T N 1.420 116.000 114.554 0.043 0.000 2.737 176 T HA -0.035 4.315 4.350 -0.000 0.000 0.265 176 T C 2.392 177.085 174.700 -0.012 0.000 1.038 176 T CA 0.605 62.700 62.100 -0.009 0.000 1.144 176 T CB -0.191 68.669 68.868 -0.013 0.000 0.866 176 T HN 0.180 nan 8.240 nan 0.000 0.434 177 L N 0.587 121.797 121.223 -0.022 0.000 2.217 177 L HA 0.079 4.418 4.340 -0.000 0.000 0.211 177 L C 2.451 179.299 176.870 -0.036 0.000 1.107 177 L CA 0.697 55.515 54.840 -0.037 0.000 0.783 177 L CB -0.552 41.474 42.059 -0.055 0.000 0.919 177 L HN 0.246 nan 8.230 nan 0.000 0.442 178 L N 0.128 121.331 121.223 -0.034 0.000 2.027 178 L HA -0.190 4.150 4.340 -0.000 0.000 0.206 178 L C 2.762 179.630 176.870 -0.003 0.000 1.074 178 L CA 1.469 56.292 54.840 -0.029 0.000 0.745 178 L CB -0.233 41.803 42.059 -0.039 0.000 0.898 178 L HN 0.245 nan 8.230 nan 0.000 0.433 179 A N -1.100 121.727 122.820 0.012 0.000 1.969 179 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 179 A C 2.161 179.769 177.584 0.040 0.000 1.169 179 A CA 2.086 54.145 52.037 0.037 0.000 0.635 179 A CB -0.819 18.196 19.000 0.024 0.000 0.810 179 A HN 0.490 nan 8.150 nan 0.000 0.445 180 T N -0.364 114.201 114.554 0.018 0.000 2.821 180 T HA 0.001 4.351 4.350 -0.000 0.000 0.267 180 T C 1.956 176.661 174.700 0.009 0.000 1.046 180 T CA 1.249 63.362 62.100 0.021 0.000 1.139 180 T CB -0.468 68.401 68.868 0.003 0.000 0.871 180 T HN 0.561 nan 8.240 nan 0.000 0.454 181 G N 1.192 109.985 108.800 -0.011 0.000 2.402 181 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.216 181 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.216 181 G C 1.833 176.724 174.900 -0.015 0.000 1.162 181 G CA 0.854 45.939 45.100 -0.025 0.000 0.777 181 G HN 0.559 nan 8.290 nan 0.000 0.539 182 A N 1.319 124.142 122.820 0.004 0.000 1.865 182 A HA 0.213 4.533 4.320 -0.000 0.000 0.217 182 A C 2.844 180.441 177.584 0.023 0.000 1.191 182 A CA 2.499 54.545 52.037 0.014 0.000 0.623 182 A CB -0.948 18.093 19.000 0.068 0.000 0.826 182 A HN 0.824 nan 8.150 nan 0.000 0.444 183 A N -0.291 122.567 122.820 0.064 0.000 1.902 183 A HA 0.165 4.485 4.320 -0.000 0.000 0.217 183 A C 2.491 180.097 177.584 0.037 0.000 1.181 183 A CA 2.119 54.200 52.037 0.074 0.000 0.623 183 A CB -1.011 18.047 19.000 0.096 0.000 0.818 183 A HN 1.125 nan 8.150 nan 0.000 0.443 184 A N -0.611 122.225 122.820 0.027 0.000 1.972 184 A HA 0.148 4.468 4.320 -0.000 0.000 0.219 184 A C 2.312 179.893 177.584 -0.006 0.000 1.169 184 A CA 1.832 53.880 52.037 0.017 0.000 0.635 184 A CB -1.141 17.863 19.000 0.007 0.000 0.810 184 A HN 0.679 nan 8.150 nan 0.000 0.446 185 G N -0.404 108.377 108.800 -0.031 0.000 2.394 185 G HA2 -0.047 3.912 3.960 -0.000 0.000 0.215 185 G HA3 -0.047 3.912 3.960 -0.000 0.000 0.215 185 G C 1.442 176.288 174.900 -0.091 0.000 1.165 185 G CA 1.002 46.062 45.100 -0.067 0.000 0.784 185 G HN 0.451 nan 8.290 nan 0.000 0.535 186 L N 1.969 123.139 121.223 -0.089 0.000 2.083 186 L HA -0.018 4.322 4.340 -0.000 0.000 0.209 186 L C 2.981 179.872 176.870 0.036 0.000 1.083 186 L CA 2.434 57.219 54.840 -0.092 0.000 0.752 186 L CB -0.401 41.561 42.059 -0.163 0.000 0.899 186 L HN 0.325 nan 8.230 nan 0.000 0.433 187 S N -1.370 114.341 115.700 0.019 0.000 2.461 187 S HA 0.080 4.550 4.470 -0.000 0.000 0.228 187 S C 1.993 176.560 174.600 -0.055 0.000 1.005 187 S CA 0.431 58.644 58.200 0.021 0.000 0.942 187 S CB -0.506 62.702 63.200 0.013 0.000 0.776 187 S HN 0.425 nan 8.310 nan 0.000 0.514 188 A N 1.755 124.552 122.820 -0.037 0.000 1.930 188 A HA 0.530 4.850 4.320 -0.000 0.000 0.215 188 A C 2.431 180.002 177.584 -0.023 0.000 1.176 188 A CA 1.120 53.167 52.037 0.017 0.000 0.632 188 A CB -1.218 17.818 19.000 0.061 0.000 0.819 188 A HN 0.787 nan 8.150 nan 0.000 0.445 189 A N -1.496 121.215 122.820 -0.182 0.000 2.015 189 A HA 0.162 4.482 4.320 -0.000 0.000 0.219 189 A C 1.349 178.538 177.584 -0.658 0.000 1.163 189 A CA 1.280 53.048 52.037 -0.448 0.000 0.646 189 A CB -0.485 18.061 19.000 -0.755 0.000 0.806 189 A HN 0.541 nan 8.150 nan 0.000 0.448 190 F N -2.372 117.543 119.950 -0.058 0.000 2.781 190 F HA 0.271 4.798 4.527 -0.000 0.000 0.322 190 F C 0.643 176.282 175.800 -0.268 0.000 1.108 190 F CA -0.261 57.676 58.000 -0.105 0.000 1.179 190 F CB -0.148 38.816 39.000 -0.060 0.000 1.072 190 F HN 0.204 nan 8.300 nan 0.000 0.545 191 N N 1.996 120.485 118.700 -0.352 0.000 2.725 191 N HA -0.227 4.513 4.740 -0.000 0.000 0.251 191 N C -0.578 174.778 175.510 -0.256 0.000 1.031 191 N CA 0.724 53.367 53.050 -0.679 0.000 0.720 191 N CB -0.810 37.060 38.487 -1.028 0.000 0.930 191 N HN 0.386 nan 8.380 nan 0.000 0.543 192 A N 0.341 123.104 122.820 -0.094 0.000 2.842 192 A HA 0.486 4.806 4.320 -0.000 0.000 0.339 192 A C -1.040 176.545 177.584 0.002 0.000 1.177 192 A CA -0.802 51.220 52.037 -0.025 0.000 0.797 192 A CB 1.054 20.065 19.000 0.017 0.000 1.094 192 A HN 0.254 nan 8.150 nan 0.000 0.474 193 P HA -0.193 nan 4.420 nan 0.000 0.213 193 P C 1.385 178.743 177.300 0.098 0.000 1.170 193 P CA 0.956 64.101 63.100 0.075 0.000 0.898 193 P CB 0.180 31.939 31.700 0.098 0.000 0.787 194 L N -0.047 121.226 121.223 0.083 0.000 2.081 194 L HA -0.146 4.193 4.340 -0.000 0.000 0.212 194 L C 2.898 179.765 176.870 -0.005 0.000 1.080 194 L CA 1.975 56.835 54.840 0.033 0.000 0.754 194 L CB -2.131 39.943 42.059 0.024 0.000 0.893 194 L HN -0.006 nan 8.230 nan 0.000 0.433 195 A N -0.642 122.183 122.820 0.009 0.000 1.898 195 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 195 A C 2.465 180.083 177.584 0.057 0.000 1.181 195 A CA 1.581 53.628 52.037 0.018 0.000 0.620 195 A CB -1.288 17.701 19.000 -0.019 0.000 0.819 195 A HN 0.424 nan 8.150 nan 0.000 0.442 196 G N 0.184 109.014 108.800 0.050 0.000 2.459 196 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 196 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 196 G C 1.496 176.451 174.900 0.092 0.000 1.183 196 G CA 1.340 46.484 45.100 0.073 0.000 0.776 196 G HN 0.548 nan 8.290 nan 0.000 0.552 197 I N 0.544 121.122 120.570 0.013 0.000 2.361 197 I HA -0.028 4.142 4.170 -0.000 0.000 0.251 197 I C 2.453 178.531 176.117 -0.066 0.000 1.133 197 I CA 0.930 62.183 61.300 -0.077 0.000 1.413 197 I CB -0.137 37.643 38.000 -0.367 0.000 1.073 197 I HN 0.155 nan 8.210 nan 0.000 0.424 198 L N -1.059 120.141 121.223 -0.039 0.000 2.156 198 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 198 L C 2.372 179.266 176.870 0.039 0.000 1.095 198 L CA 1.007 55.827 54.840 -0.033 0.000 0.770 198 L CB -0.662 41.380 42.059 -0.027 0.000 0.914 198 L HN 0.287 nan 8.230 nan 0.000 0.439 199 F N 0.759 120.703 119.950 -0.009 0.000 2.202 199 F HA -0.264 4.263 4.527 -0.000 0.000 0.301 199 F C 2.188 178.018 175.800 0.049 0.000 1.082 199 F CA 1.341 59.365 58.000 0.039 0.000 1.313 199 F CB 0.053 39.087 39.000 0.057 0.000 1.024 199 F HN -0.069 nan 8.300 nan 0.000 0.495 200 I N 0.187 120.778 120.570 0.034 0.000 2.235 200 I HA -0.221 3.949 4.170 -0.000 0.000 0.241 200 I C 2.543 178.667 176.117 0.010 0.000 1.085 200 I CA 1.138 62.452 61.300 0.023 0.000 1.378 200 I CB -1.371 36.721 38.000 0.153 0.000 1.076 200 I HN 0.147 nan 8.210 nan 0.000 0.415 201 I N 0.869 121.397 120.570 -0.070 0.000 2.163 201 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 201 I C 2.524 178.489 176.117 -0.253 0.000 1.085 201 I CA 1.693 62.820 61.300 -0.288 0.000 1.347 201 I CB -0.393 37.413 38.000 -0.322 0.000 1.044 201 I HN 0.319 nan 8.210 nan 0.000 0.408 202 E N 0.632 120.717 120.200 -0.192 0.000 2.347 202 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 202 E C 1.400 177.888 176.600 -0.188 0.000 1.008 202 E CA 0.809 57.106 56.400 -0.172 0.000 0.852 202 E CB 0.301 29.925 29.700 -0.127 0.000 0.783 202 E HN 0.417 nan 8.360 nan 0.000 0.505 203 E N -0.636 119.416 120.200 -0.247 0.000 2.526 203 E HA 0.073 4.422 4.350 -0.000 0.000 0.208 203 E C 0.457 176.985 176.600 -0.120 0.000 0.997 203 E CA 0.043 56.291 56.400 -0.253 0.000 0.961 203 E CB 0.906 30.277 29.700 -0.548 0.000 1.030 203 E HN 0.291 nan 8.360 nan 0.000 0.483 204 M N 0.046 119.634 119.600 -0.019 0.000 2.603 204 M HA 0.246 4.726 4.480 -0.000 0.000 0.380 204 M C 1.371 177.777 176.300 0.176 0.000 1.158 204 M CA -0.210 55.144 55.300 0.089 0.000 0.921 204 M CB 0.442 33.149 32.600 0.178 0.000 1.417 204 M HN -0.095 nan 8.290 nan 0.000 0.523 205 R N 3.200 123.726 120.500 0.044 0.000 2.159 205 R HA -0.158 4.181 4.340 -0.000 0.000 0.249 205 R C -0.927 175.389 176.300 0.028 0.000 1.136 205 R CA 2.740 58.848 56.100 0.013 0.000 0.951 205 R CB -1.687 28.570 30.300 -0.072 0.000 0.876 205 R HN 0.235 nan 8.270 nan 0.000 0.440 206 P HA -0.188 nan 4.420 nan 0.000 0.216 206 P C 0.612 177.641 177.300 -0.451 0.000 1.150 206 P CA 1.416 64.327 63.100 -0.314 0.000 0.837 206 P CB -0.151 31.374 31.700 -0.292 0.000 0.786 207 Q N -0.951 118.709 119.800 -0.234 0.000 2.181 207 Q HA -0.119 4.221 4.340 -0.000 0.000 0.205 207 Q C 2.143 177.974 176.000 -0.282 0.000 0.980 207 Q CA 1.344 56.971 55.803 -0.293 0.000 0.862 207 Q CB -0.820 27.745 28.738 -0.288 0.000 0.905 207 Q HN 0.409 nan 8.270 nan 0.000 0.429 208 F N -0.189 119.666 119.950 -0.159 0.000 2.473 208 F HA 0.093 4.620 4.527 -0.000 0.000 0.294 208 F C 2.454 178.209 175.800 -0.074 0.000 1.103 208 F CA 0.276 58.222 58.000 -0.089 0.000 1.442 208 F CB -0.187 38.767 39.000 -0.075 0.000 1.097 208 F HN -0.016 nan 8.300 nan 0.000 0.547 209 R N -0.235 120.288 120.500 0.039 0.000 2.096 209 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 209 R C 0.152 176.544 176.300 0.154 0.000 1.127 209 R CA 0.896 57.015 56.100 0.030 0.000 0.968 209 R CB -0.311 29.945 30.300 -0.074 0.000 0.861 209 R HN 0.230 nan 8.270 nan 0.000 0.440 210 Y N -0.028 120.267 120.300 -0.009 0.000 2.301 210 Y HA 0.053 4.603 4.550 -0.000 0.000 0.325 210 Y C 0.559 176.427 175.900 -0.052 0.000 1.203 210 Y CA -1.025 57.049 58.100 -0.042 0.000 1.255 210 Y CB 0.676 39.083 38.460 -0.089 0.000 1.232 210 Y HN 0.007 nan 8.280 nan 0.000 0.501 211 N N 2.781 121.552 118.700 0.118 0.000 3.111 211 N HA 0.091 4.831 4.740 -0.000 0.000 0.302 211 N C 0.210 175.712 175.510 -0.013 0.000 1.317 211 N CA 0.255 53.332 53.050 0.045 0.000 1.151 211 N CB -0.438 38.078 38.487 0.048 0.000 1.456 211 N HN 0.617 nan 8.380 nan 0.000 0.547 212 L N -0.930 120.248 121.223 -0.075 0.000 2.307 212 L HA 0.258 4.597 4.340 -0.000 0.000 0.211 212 L C 0.522 177.287 176.870 -0.175 0.000 1.099 212 L CA 0.616 55.386 54.840 -0.117 0.000 0.816 212 L CB -0.012 41.908 42.059 -0.232 0.000 0.952 212 L HN 0.236 nan 8.230 nan 0.000 0.455 213 I N -0.853 119.487 120.570 -0.383 0.000 2.740 213 I HA 0.293 4.463 4.170 -0.000 0.000 0.303 213 I C -0.345 175.572 176.117 -0.333 0.000 1.044 213 I CA -0.530 60.483 61.300 -0.477 0.000 1.064 213 I CB 2.283 39.708 38.000 -0.957 0.000 1.249 213 I HN -0.079 nan 8.210 nan 0.000 0.433 214 S N 3.948 119.585 115.700 -0.104 0.000 2.521 214 S HA 0.551 5.021 4.470 -0.000 0.000 0.295 214 S C 0.574 175.276 174.600 0.171 0.000 1.098 214 S CA -0.786 57.461 58.200 0.078 0.000 0.999 214 S CB 1.744 64.980 63.200 0.060 0.000 1.034 214 S HN 0.592 nan 8.310 nan 0.000 0.483 215 I N 1.799 122.525 120.570 0.261 0.000 2.226 215 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 215 I C 2.418 178.643 176.117 0.181 0.000 1.100 215 I CA 1.251 62.668 61.300 0.196 0.000 1.374 215 I CB -0.336 37.725 38.000 0.102 0.000 1.057 215 I HN 0.732 nan 8.210 nan 0.000 0.413 216 K N 1.049 121.553 120.400 0.173 0.000 2.032 216 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 216 K C 2.306 179.001 176.600 0.159 0.000 1.048 216 K CA 1.632 58.027 56.287 0.181 0.000 0.927 216 K CB -0.338 32.234 32.500 0.120 0.000 0.712 216 K HN 0.318 nan 8.250 nan 0.000 0.441 217 A N 1.220 124.108 122.820 0.112 0.000 1.858 217 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 217 A C 2.452 180.091 177.584 0.093 0.000 1.190 217 A CA 1.721 53.804 52.037 0.076 0.000 0.617 217 A CB -0.871 18.155 19.000 0.044 0.000 0.827 217 A HN 0.078 nan 8.150 nan 0.000 0.443 218 V N -1.080 118.900 119.914 0.109 0.000 2.332 218 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 218 V C 2.316 178.525 176.094 0.193 0.000 1.055 218 V CA 2.089 64.458 62.300 0.114 0.000 1.038 218 V CB -0.986 30.900 31.823 0.106 0.000 0.651 218 V HN 0.618 nan 8.190 nan 0.000 0.450 219 F N 0.630 120.602 119.950 0.036 0.000 2.146 219 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 219 F C 2.601 178.405 175.800 0.006 0.000 1.096 219 F CA 1.503 59.517 58.000 0.023 0.000 1.275 219 F CB 0.008 39.023 39.000 0.024 0.000 1.008 219 F HN 0.181 nan 8.300 nan 0.000 0.480 220 T N -0.492 114.158 114.554 0.161 0.000 2.652 220 T HA -0.190 4.159 4.350 -0.000 0.000 0.267 220 T C 1.996 176.709 174.700 0.021 0.000 1.039 220 T CA 1.428 63.545 62.100 0.029 0.000 1.153 220 T CB -1.067 67.809 68.868 0.013 0.000 0.863 220 T HN 0.460 nan 8.240 nan 0.000 0.428 221 G N 0.993 109.815 108.800 0.038 0.000 2.446 221 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.217 221 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.217 221 G C 1.729 176.654 174.900 0.041 0.000 1.168 221 G CA 1.018 46.126 45.100 0.013 0.000 0.771 221 G HN 0.439 nan 8.290 nan 0.000 0.551 222 V N 1.059 121.034 119.914 0.102 0.000 2.343 222 V HA -0.145 3.975 4.120 -0.000 0.000 0.247 222 V C 2.571 178.719 176.094 0.089 0.000 1.051 222 V CA 1.634 64.004 62.300 0.117 0.000 1.036 222 V CB -0.372 31.572 31.823 0.202 0.000 0.654 222 V HN 0.460 nan 8.190 nan 0.000 0.451 223 I N -0.845 119.765 120.570 0.067 0.000 2.614 223 I HA -0.212 3.958 4.170 -0.000 0.000 0.258 223 I C 2.332 178.448 176.117 -0.002 0.000 1.189 223 I CA 1.127 62.424 61.300 -0.005 0.000 1.462 223 I CB 0.019 37.947 38.000 -0.121 0.000 1.092 223 I HN 0.233 nan 8.210 nan 0.000 0.442 224 M N 0.344 119.943 119.600 -0.003 0.000 2.156 224 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 224 M C 2.657 178.974 176.300 0.027 0.000 1.067 224 M CA 1.922 57.220 55.300 -0.003 0.000 1.131 224 M CB -1.312 31.270 32.600 -0.031 0.000 1.368 224 M HN 0.408 nan 8.290 nan 0.000 0.416 225 S N -0.446 115.274 115.700 0.033 0.000 2.402 225 S HA -0.074 4.396 4.470 -0.000 0.000 0.229 225 S C 2.014 176.676 174.600 0.104 0.000 1.021 225 S CA 1.524 59.759 58.200 0.059 0.000 0.974 225 S CB -0.577 62.650 63.200 0.044 0.000 0.800 225 S HN 0.384 nan 8.310 nan 0.000 0.484 226 S N 1.966 117.709 115.700 0.072 0.000 2.382 226 S HA 0.111 4.581 4.470 -0.000 0.000 0.228 226 S C 1.758 176.435 174.600 0.128 0.000 1.027 226 S CA 1.297 59.538 58.200 0.069 0.000 0.991 226 S CB -0.489 62.725 63.200 0.024 0.000 0.823 226 S HN 0.517 nan 8.310 nan 0.000 0.469 227 I N 1.699 122.327 120.570 0.097 0.000 2.202 227 I HA -0.146 4.023 4.170 -0.000 0.000 0.242 227 I C 2.499 178.713 176.117 0.161 0.000 1.091 227 I CA 1.106 62.468 61.300 0.104 0.000 1.368 227 I CB -0.578 37.456 38.000 0.056 0.000 1.058 227 I HN 0.253 nan 8.210 nan 0.000 0.410 228 V N -1.263 118.753 119.914 0.170 0.000 2.469 228 V HA -0.312 3.808 4.120 -0.000 0.000 0.251 228 V C 2.367 178.649 176.094 0.314 0.000 1.064 228 V CA 1.537 63.979 62.300 0.238 0.000 1.066 228 V CB -1.317 30.595 31.823 0.148 0.000 0.667 228 V HN 0.350 nan 8.190 nan 0.000 0.461 229 F N 1.607 121.626 119.950 0.115 0.000 2.069 229 F HA -0.107 4.419 4.527 -0.000 0.000 0.298 229 F C 2.780 178.661 175.800 0.134 0.000 1.113 229 F CA 2.199 60.264 58.000 0.109 0.000 1.214 229 F CB -0.208 38.826 39.000 0.057 0.000 0.978 229 F HN -0.007 nan 8.300 nan 0.000 0.474 230 R N 0.593 121.320 120.500 0.379 0.000 2.105 230 R HA -0.158 4.181 4.340 -0.000 0.000 0.239 230 R C 2.302 178.663 176.300 0.101 0.000 1.135 230 R CA 1.742 57.980 56.100 0.230 0.000 0.967 230 R CB -1.132 29.268 30.300 0.166 0.000 0.861 230 R HN 0.431 nan 8.270 nan 0.000 0.442 231 I N -0.146 120.489 120.570 0.108 0.000 2.208 231 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 231 I C 1.568 177.576 176.117 -0.181 0.000 1.097 231 I CA 1.525 62.809 61.300 -0.026 0.000 1.363 231 I CB -0.231 37.773 38.000 0.006 0.000 1.051 231 I HN 0.005 nan 8.210 nan 0.000 0.413 232 F N 0.043 119.936 119.950 -0.095 0.000 2.776 232 F HA 0.073 4.600 4.527 -0.000 0.000 0.300 232 F C 1.570 177.248 175.800 -0.203 0.000 1.116 232 F CA 0.614 58.530 58.000 -0.141 0.000 1.375 232 F CB -0.314 38.591 39.000 -0.159 0.000 1.109 232 F HN 0.075 nan 8.300 nan 0.000 0.585 233 N N -1.378 117.260 118.700 -0.103 0.000 2.113 233 N HA 0.311 5.051 4.740 -0.000 0.000 0.223 233 N C 0.689 176.182 175.510 -0.029 0.000 1.310 233 N CA 0.224 53.176 53.050 -0.163 0.000 0.896 233 N CB 1.151 39.319 38.487 -0.533 0.000 1.097 233 N HN 0.162 nan 8.380 nan 0.000 0.507 234 G N 1.753 110.562 108.800 0.014 0.000 2.752 234 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.234 234 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.234 234 G C 0.234 175.192 174.900 0.097 0.000 1.367 234 G CA -0.107 45.019 45.100 0.043 0.000 0.879 234 G HN 0.272 nan 8.290 nan 0.000 0.563 235 E N 0.362 120.603 120.200 0.069 0.000 2.204 235 E HA 0.207 4.557 4.350 -0.000 0.000 0.194 235 E C 2.014 178.660 176.600 0.077 0.000 0.989 235 E CA 0.545 56.987 56.400 0.071 0.000 0.824 235 E CB -0.126 29.598 29.700 0.041 0.000 0.756 235 E HN 1.074 nan 8.360 nan 0.000 0.477 236 A N 3.648 126.510 122.820 0.069 0.000 2.563 236 A HA -0.001 4.319 4.320 -0.000 0.000 0.256 236 A C -1.865 175.774 177.584 0.092 0.000 1.056 236 A CA -0.767 51.308 52.037 0.064 0.000 0.775 236 A CB -0.391 18.640 19.000 0.052 0.000 0.973 236 A HN 0.050 nan 8.150 nan 0.000 0.516 237 P HA 0.120 nan 4.420 nan 0.000 0.275 237 P C 1.027 178.347 177.300 0.033 0.000 1.228 237 P CA -0.623 62.503 63.100 0.044 0.000 0.786 237 P CB 0.684 32.391 31.700 0.012 0.000 0.927 238 I N 1.791 122.366 120.570 0.008 0.000 2.113 238 I HA -0.178 3.992 4.170 -0.000 0.000 0.242 238 I C 1.508 177.570 176.117 -0.091 0.000 1.064 238 I CA 1.941 63.211 61.300 -0.049 0.000 1.320 238 I CB -0.861 37.030 38.000 -0.181 0.000 1.028 238 I HN 0.446 nan 8.210 nan 0.000 0.406 239 I N -1.690 118.814 120.570 -0.110 0.000 2.647 239 I HA 0.578 4.748 4.170 -0.000 0.000 0.295 239 I C -0.609 175.488 176.117 -0.032 0.000 1.078 239 I CA -0.870 60.388 61.300 -0.070 0.000 1.048 239 I CB 2.618 40.559 38.000 -0.099 0.000 1.239 239 I HN -0.170 nan 8.210 nan 0.000 0.421 240 E N 4.898 125.093 120.200 -0.008 0.000 2.114 240 E HA 0.569 4.919 4.350 -0.000 0.000 0.266 240 E C -1.287 175.315 176.600 0.004 0.000 0.896 240 E CA -0.493 55.907 56.400 -0.001 0.000 0.750 240 E CB 1.634 31.337 29.700 0.006 0.000 1.121 240 E HN 0.591 nan 8.360 nan 0.000 0.413 241 V N 2.785 122.700 119.914 0.003 0.000 3.463 241 V HA 0.762 4.881 4.120 -0.000 0.000 0.302 241 V C 1.076 177.173 176.094 0.006 0.000 1.097 241 V CA -0.096 62.209 62.300 0.007 0.000 1.003 241 V CB 1.560 33.387 31.823 0.008 0.000 1.229 241 V HN 0.771 nan 8.190 nan 0.000 0.444 242 G N -0.211 108.593 108.800 0.007 0.000 2.641 242 G HA2 0.422 4.382 3.960 -0.000 0.000 0.239 242 G HA3 0.422 4.382 3.960 -0.000 0.000 0.239 242 G C -0.716 174.188 174.900 0.006 0.000 1.402 242 G CA -0.802 44.302 45.100 0.006 0.000 1.046 242 G HN 0.620 nan 8.290 nan 0.000 0.565 243 K N 0.877 121.281 120.400 0.006 0.000 2.266 243 K HA 0.365 4.685 4.320 -0.000 0.000 0.274 243 K C -0.152 176.451 176.600 0.005 0.000 1.090 243 K CA -0.111 56.179 56.287 0.005 0.000 0.925 243 K CB 1.113 33.616 32.500 0.006 0.000 1.225 243 K HN 0.177 nan 8.250 nan 0.000 0.458 244 L N 1.532 122.756 121.223 0.002 0.000 2.476 244 L HA 0.115 4.455 4.340 -0.000 0.000 0.255 244 L C 1.222 178.093 176.870 0.002 0.000 1.218 244 L CA -0.344 54.500 54.840 0.006 0.000 0.819 244 L CB 0.613 42.674 42.059 0.003 0.000 1.119 244 L HN 0.689 nan 8.230 nan 0.000 0.485 245 S N -0.776 114.933 115.700 0.014 0.000 2.617 245 S HA 0.104 4.574 4.470 -0.000 0.000 0.255 245 S C -0.135 174.457 174.600 -0.012 0.000 1.318 245 S CA -0.870 57.337 58.200 0.013 0.000 0.978 245 S CB 0.719 63.943 63.200 0.039 0.000 0.961 245 S HN 0.495 nan 8.310 nan 0.000 0.582 246 D N 0.274 120.667 120.400 -0.011 0.000 2.414 246 D HA 0.509 5.149 4.640 -0.000 0.000 0.251 246 D C -0.347 175.923 176.300 -0.050 0.000 1.252 246 D CA 0.056 54.032 54.000 -0.040 0.000 0.999 246 D CB 0.973 41.758 40.800 -0.025 0.000 1.093 246 D HN 0.773 nan 8.370 nan 0.000 0.515 247 A N 1.516 124.281 122.820 -0.090 0.000 2.943 247 A HA 0.358 4.678 4.320 -0.000 0.000 0.327 247 A C -2.378 175.152 177.584 -0.091 0.000 1.141 247 A CA -1.092 50.880 52.037 -0.108 0.000 0.773 247 A CB 0.470 19.325 19.000 -0.242 0.000 1.143 247 A HN 0.240 nan 8.150 nan 0.000 0.463 248 P HA 0.013 nan 4.420 nan 0.000 0.266 248 P C 1.300 178.576 177.300 -0.040 0.000 1.193 248 P CA -0.041 63.044 63.100 -0.026 0.000 0.770 248 P CB 0.773 32.483 31.700 0.016 0.000 0.836 249 V N 2.137 122.040 119.914 -0.018 0.000 2.370 249 V HA -0.322 3.798 4.120 -0.000 0.000 0.252 249 V C 2.201 178.314 176.094 0.031 0.000 1.068 249 V CA 2.639 64.938 62.300 -0.003 0.000 1.061 249 V CB -1.848 29.982 31.823 0.013 0.000 0.656 249 V HN 0.706 nan 8.190 nan 0.000 0.455 250 N N -0.351 118.372 118.700 0.038 0.000 2.571 250 N HA -0.104 4.636 4.740 -0.000 0.000 0.189 250 N C 1.189 176.666 175.510 -0.056 0.000 1.154 250 N CA 1.346 54.449 53.050 0.089 0.000 0.907 250 N CB -0.343 38.234 38.487 0.150 0.000 0.977 250 N HN 0.435 nan 8.380 nan 0.000 0.449 251 T N 0.317 114.758 114.554 -0.188 0.000 3.021 251 T HA 0.199 4.549 4.350 -0.000 0.000 0.245 251 T C 1.649 176.179 174.700 -0.282 0.000 1.028 251 T CA 0.080 61.941 62.100 -0.398 0.000 1.139 251 T CB -0.129 68.614 68.868 -0.209 0.000 0.884 251 T HN 0.097 nan 8.240 nan 0.000 0.457 252 L N 1.773 122.982 121.223 -0.022 0.000 2.030 252 L HA -0.242 4.098 4.340 -0.000 0.000 0.222 252 L C 2.865 179.754 176.870 0.032 0.000 1.082 252 L CA 2.155 57.047 54.840 0.086 0.000 0.785 252 L CB -1.079 41.000 42.059 0.033 0.000 0.895 252 L HN 0.569 nan 8.230 nan 0.000 0.439 253 W N 0.507 121.822 121.300 0.025 0.000 2.313 253 W HA -0.235 4.425 4.660 -0.000 0.000 0.293 253 W C 1.905 178.442 176.519 0.031 0.000 1.216 253 W CA 0.944 58.301 57.345 0.019 0.000 1.223 253 W CB -1.416 28.042 29.460 -0.003 0.000 1.138 253 W HN 0.215 nan 8.180 nan 0.000 0.535 254 L N 0.125 120.700 121.223 -1.080 0.000 1.989 254 L HA -0.279 4.061 4.340 -0.000 0.000 0.211 254 L C 2.816 179.509 176.870 -0.294 0.000 1.071 254 L CA 2.084 56.395 54.840 -0.883 0.000 0.749 254 L CB -1.254 40.225 42.059 -0.967 0.000 0.890 254 L HN -0.143 nan 8.230 nan 0.000 0.431 255 Y N -0.738 119.482 120.300 -0.133 0.000 2.256 255 Y HA -0.295 4.255 4.550 -0.000 0.000 0.288 255 Y C 2.294 178.129 175.900 -0.109 0.000 1.155 255 Y CA 1.105 59.139 58.100 -0.110 0.000 1.203 255 Y CB -0.405 37.943 38.460 -0.186 0.000 0.980 255 Y HN 0.152 nan 8.280 nan 0.000 0.530 256 L N 0.066 121.324 121.223 0.059 0.000 2.141 256 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 256 L C 1.874 178.750 176.870 0.010 0.000 1.094 256 L CA 1.491 56.360 54.840 0.048 0.000 0.763 256 L CB -0.660 41.452 42.059 0.088 0.000 0.908 256 L HN 0.222 nan 8.230 nan 0.000 0.437 257 I N -1.193 119.369 120.570 -0.013 0.000 2.193 257 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 257 I C 2.351 178.315 176.117 -0.255 0.000 1.084 257 I CA 1.079 62.361 61.300 -0.029 0.000 1.365 257 I CB -0.505 37.561 38.000 0.111 0.000 1.064 257 I HN 0.314 nan 8.210 nan 0.000 0.410 258 L N 1.584 122.451 121.223 -0.594 0.000 2.081 258 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 258 L C 2.249 178.953 176.870 -0.276 0.000 1.080 258 L CA 2.313 56.604 54.840 -0.915 0.000 0.754 258 L CB -1.311 40.215 42.059 -0.889 0.000 0.893 258 L HN 0.220 nan 8.230 nan 0.000 0.433 259 G N -0.381 108.369 108.800 -0.083 0.000 2.422 259 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.218 259 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.218 259 G C 1.636 176.561 174.900 0.041 0.000 1.146 259 G CA 1.068 46.201 45.100 0.054 0.000 0.769 259 G HN 0.508 nan 8.290 nan 0.000 0.547 260 I N 0.469 121.025 120.570 -0.024 0.000 2.315 260 I HA -0.108 4.062 4.170 -0.000 0.000 0.248 260 I C 2.612 178.706 176.117 -0.038 0.000 1.117 260 I CA 0.662 61.959 61.300 -0.006 0.000 1.404 260 I CB -0.182 37.822 38.000 0.006 0.000 1.071 260 I HN 0.164 nan 8.210 nan 0.000 0.419 261 I N 0.215 120.696 120.570 -0.149 0.000 2.179 261 I HA -0.317 3.852 4.170 -0.000 0.000 0.242 261 I C 2.398 178.393 176.117 -0.203 0.000 1.088 261 I CA 1.811 62.973 61.300 -0.229 0.000 1.357 261 I CB -0.420 37.320 38.000 -0.434 0.000 1.051 261 I HN 0.076 nan 8.210 nan 0.000 0.409 262 F N 0.848 120.735 119.950 -0.104 0.000 2.134 262 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 262 F C 2.625 178.403 175.800 -0.036 0.000 1.097 262 F CA 1.281 59.237 58.000 -0.074 0.000 1.264 262 F CB -0.912 38.030 39.000 -0.096 0.000 1.001 262 F HN 0.055 nan 8.300 nan 0.000 0.479 263 G N -0.484 108.410 108.800 0.157 0.000 2.499 263 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.221 263 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.221 263 G C 1.539 176.490 174.900 0.084 0.000 1.109 263 G CA 1.307 46.470 45.100 0.104 0.000 0.749 263 G HN 0.290 nan 8.290 nan 0.000 0.568 264 V N -0.184 119.769 119.914 0.065 0.000 2.492 264 V HA -0.035 4.085 4.120 -0.000 0.000 0.241 264 V C 2.864 178.999 176.094 0.068 0.000 1.041 264 V CA 0.849 63.179 62.300 0.050 0.000 1.057 264 V CB 0.203 32.040 31.823 0.025 0.000 0.711 264 V HN 0.209 nan 8.190 nan 0.000 0.468 265 V N 1.312 121.270 119.914 0.073 0.000 2.392 265 V HA -0.186 3.934 4.120 -0.000 0.000 0.249 265 V C 2.623 178.826 176.094 0.181 0.000 1.059 265 V CA 2.175 64.550 62.300 0.125 0.000 1.051 265 V CB -1.594 30.299 31.823 0.116 0.000 0.658 265 V HN 0.591 nan 8.190 nan 0.000 0.455 266 G N 1.617 110.520 108.800 0.172 0.000 2.721 266 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 266 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 266 G C 0.184 175.174 174.900 0.151 0.000 1.265 266 G CA 1.498 46.690 45.100 0.153 0.000 0.796 266 G HN 0.552 nan 8.290 nan 0.000 0.620 267 P HA -0.067 nan 4.420 nan 0.000 0.218 267 P C 2.041 179.380 177.300 0.066 0.000 1.148 267 P CA 1.433 64.572 63.100 0.066 0.000 0.822 267 P CB -0.189 31.534 31.700 0.038 0.000 0.784 268 V N -0.375 119.592 119.914 0.089 0.000 2.307 268 V HA -0.219 3.900 4.120 -0.000 0.000 0.245 268 V C 2.494 178.637 176.094 0.081 0.000 1.045 268 V CA 1.777 64.122 62.300 0.074 0.000 1.024 268 V CB -1.545 30.332 31.823 0.091 0.000 0.651 268 V HN -0.044 nan 8.190 nan 0.000 0.449 269 F N 1.994 121.952 119.950 0.013 0.000 2.095 269 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 269 F C 2.381 178.177 175.800 -0.006 0.000 1.104 269 F CA 1.933 59.932 58.000 -0.001 0.000 1.232 269 F CB -0.501 38.504 39.000 0.008 0.000 0.987 269 F HN 0.176 nan 8.300 nan 0.000 0.475 270 N N 0.441 119.141 118.700 0.001 0.000 2.061 270 N HA -0.216 4.524 4.740 -0.000 0.000 0.193 270 N C 2.201 177.639 175.510 -0.119 0.000 1.030 270 N CA 1.923 54.929 53.050 -0.072 0.000 0.856 270 N CB -0.956 37.541 38.487 0.018 0.000 1.023 270 N HN 0.499 nan 8.380 nan 0.000 0.424 271 S N 1.282 116.934 115.700 -0.080 0.000 2.356 271 S HA -0.044 4.426 4.470 -0.000 0.000 0.223 271 S C 2.225 176.748 174.600 -0.127 0.000 1.032 271 S CA 0.678 58.833 58.200 -0.074 0.000 1.005 271 S CB -0.853 62.320 63.200 -0.045 0.000 0.867 271 S HN 0.243 nan 8.310 nan 0.000 0.449 272 L N 1.136 122.251 121.223 -0.179 0.000 2.043 272 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 272 L C 2.785 179.496 176.870 -0.265 0.000 1.075 272 L CA 1.320 56.027 54.840 -0.222 0.000 0.752 272 L CB -0.921 40.983 42.059 -0.258 0.000 0.891 272 L HN 0.260 nan 8.230 nan 0.000 0.432 273 V N 0.197 119.893 119.914 -0.362 0.000 2.255 273 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 273 V C 2.414 178.463 176.094 -0.075 0.000 1.051 273 V CA 1.912 64.076 62.300 -0.227 0.000 1.018 273 V CB -0.391 31.309 31.823 -0.206 0.000 0.641 273 V HN 0.334 nan 8.190 nan 0.000 0.445 274 L N -0.808 120.377 121.223 -0.063 0.000 1.994 274 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 274 L C 2.796 179.633 176.870 -0.056 0.000 1.071 274 L CA 1.788 56.613 54.840 -0.024 0.000 0.745 274 L CB -0.696 41.356 42.059 -0.012 0.000 0.892 274 L HN 0.201 nan 8.230 nan 0.000 0.431 275 R N -0.508 119.941 120.500 -0.085 0.000 2.083 275 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 275 R C 2.255 178.462 176.300 -0.156 0.000 1.137 275 R CA 2.008 58.047 56.100 -0.101 0.000 0.951 275 R CB -0.787 29.452 30.300 -0.102 0.000 0.851 275 R HN 0.364 nan 8.270 nan 0.000 0.434 276 T N 0.785 115.213 114.554 -0.210 0.000 2.833 276 T HA -0.189 4.161 4.350 -0.000 0.000 0.269 276 T C 1.732 176.209 174.700 -0.371 0.000 1.054 276 T CA 1.127 63.011 62.100 -0.361 0.000 1.135 276 T CB -0.095 68.553 68.868 -0.368 0.000 0.869 276 T HN 0.346 nan 8.240 nan 0.000 0.466 277 Q N 0.338 120.043 119.800 -0.158 0.000 2.224 277 Q HA -0.149 4.190 4.340 -0.000 0.000 0.203 277 Q C 1.442 177.430 176.000 -0.021 0.000 0.970 277 Q CA 1.228 57.012 55.803 -0.032 0.000 0.865 277 Q CB 0.078 28.825 28.738 0.014 0.000 0.922 277 Q HN 0.416 nan 8.270 nan 0.000 0.445 278 D N -0.184 120.178 120.400 -0.064 0.000 2.120 278 D HA -0.106 4.534 4.640 -0.000 0.000 0.202 278 D C 1.921 178.184 176.300 -0.061 0.000 0.972 278 D CA 1.087 55.063 54.000 -0.039 0.000 0.837 278 D CB -0.197 40.579 40.800 -0.040 0.000 0.989 278 D HN 0.293 nan 8.370 nan 0.000 0.469 279 M N -0.041 119.476 119.600 -0.139 0.000 2.163 279 M HA -0.201 4.279 4.480 -0.000 0.000 0.258 279 M C 2.284 178.543 176.300 -0.068 0.000 1.071 279 M CA 1.645 56.858 55.300 -0.146 0.000 1.093 279 M CB -0.813 31.612 32.600 -0.292 0.000 1.285 279 M HN -0.008 nan 8.290 nan 0.000 0.420 280 F N 0.064 119.876 119.950 -0.230 0.000 2.184 280 F HA -0.336 4.191 4.527 -0.000 0.000 0.301 280 F C 2.793 178.224 175.800 -0.614 0.000 1.076 280 F CA 0.968 58.707 58.000 -0.434 0.000 1.295 280 F CB -0.365 38.388 39.000 -0.412 0.000 1.026 280 F HN 0.293 nan 8.300 nan 0.000 0.494 281 Q N 1.391 121.141 119.800 -0.083 0.000 2.016 281 Q HA -0.206 4.134 4.340 -0.000 0.000 0.200 281 Q C 2.228 178.263 176.000 0.058 0.000 0.978 281 Q CA 2.028 57.847 55.803 0.026 0.000 0.833 281 Q CB -0.369 28.411 28.738 0.069 0.000 0.895 281 Q HN 0.463 nan 8.270 nan 0.000 0.427 282 R N -0.908 119.614 120.500 0.036 0.000 2.105 282 R HA -0.183 4.157 4.340 -0.000 0.000 0.239 282 R C 2.085 178.419 176.300 0.056 0.000 1.135 282 R CA 1.577 57.705 56.100 0.047 0.000 0.967 282 R CB -1.119 29.203 30.300 0.037 0.000 0.861 282 R HN 0.304 nan 8.270 nan 0.000 0.442 283 F N 3.111 122.992 119.950 -0.115 0.000 2.010 283 F HA -0.240 4.287 4.527 -0.000 0.000 0.296 283 F C 2.512 178.275 175.800 -0.062 0.000 1.146 283 F CA 2.285 60.211 58.000 -0.124 0.000 1.181 283 F CB -0.518 38.362 39.000 -0.201 0.000 0.965 283 F HN 0.244 nan 8.300 nan 0.000 0.480 284 H N -1.855 117.189 119.070 -0.043 0.000 2.548 284 H HA 0.299 4.855 4.556 -0.000 0.000 0.265 284 H C 1.964 177.253 175.328 -0.065 0.000 0.969 284 H CA 0.387 56.356 56.048 -0.132 0.000 1.155 284 H CB -0.414 29.325 29.762 -0.039 0.000 1.394 284 H HN 0.498 nan 8.280 nan 0.000 0.570 285 G N 0.951 109.907 108.800 0.261 0.000 2.494 285 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.252 285 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.252 285 G C 1.241 176.226 174.900 0.141 0.000 1.025 285 G CA 1.078 46.269 45.100 0.151 0.000 0.638 285 G HN 1.269 nan 8.290 nan 0.000 0.544 286 G N -0.682 108.173 108.800 0.092 0.000 2.485 286 G HA2 -0.027 3.932 3.960 -0.000 0.000 0.181 286 G HA3 -0.027 3.932 3.960 -0.000 0.000 0.181 286 G C 0.001 175.014 174.900 0.189 0.000 0.999 286 G CA 1.004 46.197 45.100 0.155 0.000 0.721 286 G HN 1.304 nan 8.290 nan 0.000 0.486 287 E N 0.883 121.162 120.200 0.132 0.000 2.415 287 E HA 0.282 4.632 4.350 -0.000 0.000 0.263 287 E C 1.659 178.362 176.600 0.173 0.000 0.995 287 E CA -0.384 56.087 56.400 0.120 0.000 0.915 287 E CB 0.258 30.009 29.700 0.085 0.000 0.951 287 E HN 0.176 nan 8.360 nan 0.000 0.449 288 I N 5.201 125.843 120.570 0.121 0.000 2.194 288 I HA -0.319 3.851 4.170 -0.000 0.000 0.246 288 I C 2.126 178.361 176.117 0.198 0.000 1.093 288 I CA 1.440 62.818 61.300 0.130 0.000 1.355 288 I CB -0.462 37.598 38.000 0.101 0.000 1.046 288 I HN 0.509 nan 8.210 nan 0.000 0.413 289 K N 0.366 120.862 120.400 0.160 0.000 2.228 289 K HA -0.012 4.308 4.320 -0.000 0.000 0.202 289 K C 2.032 178.728 176.600 0.161 0.000 1.051 289 K CA 0.749 57.123 56.287 0.145 0.000 0.960 289 K CB -0.188 32.367 32.500 0.092 0.000 0.743 289 K HN 0.270 nan 8.250 nan 0.000 0.458 290 K N 0.025 120.530 120.400 0.174 0.000 2.025 290 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 290 K C 1.860 178.655 176.600 0.326 0.000 1.049 290 K CA 0.665 57.062 56.287 0.184 0.000 0.933 290 K CB -0.308 32.258 32.500 0.110 0.000 0.714 290 K HN 0.250 nan 8.250 nan 0.000 0.438 291 W N 1.836 123.241 121.300 0.175 0.000 2.333 291 W HA -0.167 4.493 4.660 -0.000 0.000 0.316 291 W C 1.777 178.341 176.519 0.075 0.000 1.215 291 W CA 1.065 58.539 57.345 0.216 0.000 1.278 291 W CB -0.462 29.009 29.460 0.018 0.000 1.154 291 W HN -0.231 nan 8.180 nan 0.000 0.486 292 V N 1.114 121.251 119.914 0.372 0.000 3.078 292 V HA -0.258 3.862 4.120 -0.000 0.000 0.265 292 V C 2.127 178.250 176.094 0.048 0.000 1.122 292 V CA 1.246 63.666 62.300 0.201 0.000 1.141 292 V CB -0.742 31.218 31.823 0.228 0.000 0.735 292 V HN 0.123 nan 8.190 nan 0.000 0.498 293 L N -0.675 120.593 121.223 0.075 0.000 2.286 293 L HA 0.009 4.349 4.340 -0.000 0.000 0.203 293 L C 2.406 179.256 176.870 -0.035 0.000 1.068 293 L CA 1.040 55.898 54.840 0.030 0.000 0.811 293 L CB -0.431 41.679 42.059 0.085 0.000 0.989 293 L HN 0.407 nan 8.230 nan 0.000 0.467 294 M N -0.743 118.853 119.600 -0.008 0.000 2.549 294 M HA 0.098 4.577 4.480 -0.000 0.000 0.260 294 M C 1.743 177.814 176.300 -0.383 0.000 1.076 294 M CA 1.839 57.044 55.300 -0.159 0.000 1.090 294 M CB -0.923 31.563 32.600 -0.190 0.000 1.418 294 M HN 0.018 nan 8.290 nan 0.000 0.486 295 G N 0.266 108.748 108.800 -0.530 0.000 2.426 295 G HA2 0.141 4.100 3.960 -0.000 0.000 0.214 295 G HA3 0.141 4.100 3.960 -0.000 0.000 0.214 295 G C 1.479 175.957 174.900 -0.703 0.000 1.156 295 G CA 0.373 44.732 45.100 -1.235 0.000 0.802 295 G HN 0.588 nan 8.290 nan 0.000 0.534 296 G N 0.872 109.436 108.800 -0.394 0.000 2.448 296 G HA2 0.171 4.131 3.960 -0.000 0.000 0.218 296 G HA3 0.171 4.131 3.960 -0.000 0.000 0.218 296 G C 1.877 176.617 174.900 -0.267 0.000 1.135 296 G CA 1.391 46.343 45.100 -0.247 0.000 0.784 296 G HN 0.567 nan 8.290 nan 0.000 0.543 297 A N 0.836 123.544 122.820 -0.186 0.000 1.854 297 A HA 0.111 4.431 4.320 -0.000 0.000 0.214 297 A C 2.283 179.781 177.584 -0.144 0.000 1.192 297 A CA 1.320 53.307 52.037 -0.083 0.000 0.611 297 A CB -0.435 18.558 19.000 -0.011 0.000 0.832 297 A HN 0.294 nan 8.150 nan 0.000 0.442 298 I N 0.336 120.806 120.570 -0.167 0.000 2.264 298 I HA -0.153 4.016 4.170 -0.000 0.000 0.248 298 I C 2.305 178.361 176.117 -0.102 0.000 1.111 298 I CA 1.561 62.796 61.300 -0.108 0.000 1.382 298 I CB -0.509 37.422 38.000 -0.117 0.000 1.060 298 I HN 0.262 nan 8.210 nan 0.000 0.418 299 G N -0.695 108.015 108.800 -0.151 0.000 2.394 299 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.215 299 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.215 299 G C 1.703 176.454 174.900 -0.248 0.000 1.165 299 G CA 0.522 45.547 45.100 -0.124 0.000 0.784 299 G HN 0.531 nan 8.290 nan 0.000 0.535 300 G N 0.624 109.133 108.800 -0.485 0.000 2.421 300 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.217 300 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.217 300 G C 1.649 176.275 174.900 -0.455 0.000 1.143 300 G CA 0.590 45.176 45.100 -0.856 0.000 0.784 300 G HN 0.305 nan 8.290 nan 0.000 0.541 301 L N 0.916 122.002 121.223 -0.228 0.000 2.079 301 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 301 L C 2.556 179.391 176.870 -0.058 0.000 1.081 301 L CA 1.621 56.443 54.840 -0.031 0.000 0.752 301 L CB -1.071 40.985 42.059 -0.005 0.000 0.896 301 L HN 0.288 nan 8.230 nan 0.000 0.433 302 C N -0.419 118.830 119.300 -0.085 0.000 2.446 302 C HA 0.012 4.472 4.460 -0.000 0.000 0.279 302 C C 2.804 177.743 174.990 -0.086 0.000 1.366 302 C CA 0.388 59.366 59.018 -0.066 0.000 1.763 302 C CB -1.543 26.169 27.740 -0.046 0.000 1.929 302 C HN 0.714 nan 8.230 nan 0.000 0.509 303 G N 0.612 109.339 108.800 -0.122 0.000 2.418 303 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 303 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 303 G C 1.491 176.313 174.900 -0.129 0.000 1.158 303 G CA 0.662 45.691 45.100 -0.118 0.000 0.771 303 G HN 0.505 nan 8.290 nan 0.000 0.545 304 I N 0.300 120.790 120.570 -0.132 0.000 2.133 304 I HA -0.109 4.061 4.170 -0.000 0.000 0.238 304 I C 2.749 178.737 176.117 -0.214 0.000 1.074 304 I CA 0.748 61.909 61.300 -0.232 0.000 1.342 304 I CB -0.266 37.633 38.000 -0.168 0.000 1.053 304 I HN 0.108 nan 8.210 nan 0.000 0.404 305 L N 0.531 121.681 121.223 -0.122 0.000 2.081 305 L HA -0.215 4.124 4.340 -0.000 0.000 0.212 305 L C 2.653 179.477 176.870 -0.076 0.000 1.080 305 L CA 1.515 56.306 54.840 -0.082 0.000 0.754 305 L CB -1.386 40.644 42.059 -0.047 0.000 0.893 305 L HN 0.394 nan 8.230 nan 0.000 0.433 306 G N 1.312 110.063 108.800 -0.082 0.000 2.547 306 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.221 306 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.221 306 G C 1.413 176.282 174.900 -0.051 0.000 1.140 306 G CA 1.618 46.683 45.100 -0.059 0.000 0.760 306 G HN 0.463 nan 8.290 nan 0.000 0.583 307 L N -2.058 119.106 121.223 -0.097 0.000 2.515 307 L HA 0.523 4.862 4.340 -0.000 0.000 0.223 307 L C 0.825 177.667 176.870 -0.046 0.000 1.079 307 L CA -0.041 54.762 54.840 -0.061 0.000 0.857 307 L CB -0.016 42.000 42.059 -0.072 0.000 1.050 307 L HN 0.095 nan 8.230 nan 0.000 0.476 308 I N 2.258 122.763 120.570 -0.107 0.000 2.390 308 I HA 0.394 4.564 4.170 -0.000 0.000 0.283 308 I C -0.267 175.843 176.117 -0.013 0.000 1.016 308 I CA -0.151 61.123 61.300 -0.043 0.000 1.151 308 I CB 0.422 38.367 38.000 -0.093 0.000 1.293 308 I HN 0.540 nan 8.210 nan 0.000 0.458 309 E N 6.122 126.342 120.200 0.034 0.000 2.267 309 E HA -0.108 4.242 4.350 -0.000 0.000 0.237 309 E C -2.236 174.384 176.600 0.033 0.000 1.170 309 E CA 0.283 56.716 56.400 0.055 0.000 0.704 309 E CB -1.160 28.579 29.700 0.065 0.000 1.234 309 E HN 0.503 nan 8.360 nan 0.000 0.397 310 P HA -0.140 nan 4.420 nan 0.000 0.218 310 P C 1.218 178.543 177.300 0.043 0.000 1.148 310 P CA 2.028 65.149 63.100 0.035 0.000 0.822 310 P CB 0.084 31.815 31.700 0.051 0.000 0.784 311 A N -0.113 122.743 122.820 0.059 0.000 2.067 311 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 311 A C 2.175 179.770 177.584 0.019 0.000 1.158 311 A CA 1.640 53.714 52.037 0.061 0.000 0.661 311 A CB -1.352 17.692 19.000 0.073 0.000 0.801 311 A HN 0.212 nan 8.150 nan 0.000 0.452 312 A N -1.208 121.609 122.820 -0.006 0.000 2.167 312 A HA 0.580 4.899 4.320 -0.000 0.000 0.214 312 A C 1.312 178.879 177.584 -0.030 0.000 1.151 312 A CA 1.141 53.151 52.037 -0.044 0.000 0.735 312 A CB -0.432 18.529 19.000 -0.064 0.000 0.802 312 A HN 0.916 nan 8.150 nan 0.000 0.467 313 A N -1.892 120.920 122.820 -0.012 0.000 2.578 313 A HA 0.774 5.094 4.320 -0.000 0.000 0.255 313 A C 0.732 178.313 177.584 -0.005 0.000 1.251 313 A CA -0.173 51.857 52.037 -0.011 0.000 0.882 313 A CB -0.078 18.911 19.000 -0.017 0.000 1.416 313 A HN 2.030 nan 8.150 nan 0.000 0.462 314 G N -2.605 106.189 108.800 -0.009 0.000 2.733 314 G HA2 0.301 4.261 3.960 -0.000 0.000 0.686 314 G HA3 0.301 4.261 3.960 -0.000 0.000 0.686 314 G C 0.989 175.866 174.900 -0.038 0.000 1.373 314 G CA 0.223 45.315 45.100 -0.013 0.000 0.838 314 G HN 2.035 nan 8.290 nan 0.000 0.588 315 G N -0.345 108.413 108.800 -0.070 0.000 2.503 315 G HA2 0.317 4.277 3.960 -0.000 0.000 0.221 315 G HA3 0.317 4.277 3.960 -0.000 0.000 0.221 315 G C 1.924 176.698 174.900 -0.211 0.000 1.131 315 G CA 2.466 47.476 45.100 -0.151 0.000 0.756 315 G HN 2.677 nan 8.290 nan 0.000 0.572 316 G N -0.265 108.439 108.800 -0.161 0.000 3.145 316 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.195 316 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.195 316 G C 1.104 176.013 174.900 0.015 0.000 2.278 316 G CA 0.575 45.612 45.100 -0.105 0.000 1.441 316 G HN 0.718 nan 8.290 nan 0.000 0.452 317 F N 2.502 122.512 119.950 0.099 0.000 2.558 317 F HA 0.282 4.809 4.527 -0.000 0.000 0.298 317 F C 1.690 177.543 175.800 0.087 0.000 1.119 317 F CA 0.846 58.906 58.000 0.100 0.000 1.451 317 F CB -1.521 37.552 39.000 0.122 0.000 1.091 317 F HN 0.331 nan 8.300 nan 0.000 0.563 318 N N 0.690 119.646 118.700 0.427 0.000 2.389 318 N HA -0.222 4.517 4.740 -0.000 0.000 0.194 318 N C 1.283 176.923 175.510 0.217 0.000 1.008 318 N CA 1.661 54.901 53.050 0.316 0.000 0.898 318 N CB -0.158 38.408 38.487 0.132 0.000 0.957 318 N HN 0.405 nan 8.380 nan 0.000 0.447 319 L N -1.684 119.660 121.223 0.201 0.000 4.379 319 L HA 0.263 4.603 4.340 -0.000 0.000 0.437 319 L C 1.008 177.973 176.870 0.158 0.000 0.984 319 L CA 0.160 55.091 54.840 0.152 0.000 1.693 319 L CB 0.276 42.408 42.059 0.123 0.000 1.966 319 L HN -0.081 nan 8.230 nan 0.000 0.629 320 I N 1.656 122.336 120.570 0.183 0.000 2.260 320 I HA 0.032 4.202 4.170 -0.000 0.000 0.237 320 I C -0.611 175.610 176.117 0.174 0.000 1.075 320 I CA 0.681 62.093 61.300 0.186 0.000 1.376 320 I CB -1.101 37.010 38.000 0.184 0.000 1.107 320 I HN 0.104 nan 8.210 nan 0.000 0.420 321 P HA -0.122 nan 4.420 nan 0.000 0.238 321 P C 0.943 178.305 177.300 0.104 0.000 1.175 321 P CA 1.365 64.555 63.100 0.149 0.000 0.757 321 P CB -0.138 31.659 31.700 0.162 0.000 0.839 322 I N -0.957 119.669 120.570 0.093 0.000 3.445 322 I HA 0.124 4.294 4.170 -0.000 0.000 0.288 322 I C 2.497 178.622 176.117 0.014 0.000 1.198 322 I CA 0.703 62.033 61.300 0.051 0.000 1.417 322 I CB -1.170 36.859 38.000 0.050 0.000 1.205 322 I HN -0.154 nan 8.210 nan 0.000 0.448 323 A N 0.666 123.492 122.820 0.010 0.000 1.975 323 A HA 0.242 4.562 4.320 -0.000 0.000 0.215 323 A C 2.370 179.853 177.584 -0.169 0.000 1.170 323 A CA 1.212 53.184 52.037 -0.108 0.000 0.656 323 A CB -0.757 18.192 19.000 -0.085 0.000 0.821 323 A HN 0.308 nan 8.150 nan 0.000 0.449 324 A N -0.532 122.298 122.820 0.017 0.000 2.168 324 A HA 0.383 4.703 4.320 -0.000 0.000 0.215 324 A C 1.796 179.420 177.584 0.067 0.000 1.152 324 A CA 1.268 53.367 52.037 0.104 0.000 0.716 324 A CB -0.477 18.646 19.000 0.205 0.000 0.794 324 A HN 0.990 nan 8.150 nan 0.000 0.465 325 A N -1.100 121.740 122.820 0.034 0.000 2.577 325 A HA 0.552 4.872 4.320 -0.000 0.000 0.280 325 A C 1.311 178.899 177.584 0.007 0.000 1.331 325 A CA 0.686 52.747 52.037 0.041 0.000 0.935 325 A CB -0.490 18.537 19.000 0.045 0.000 1.082 325 A HN 0.559 nan 8.150 nan 0.000 0.525 326 G N 0.403 109.178 108.800 -0.041 0.000 2.485 326 G HA2 0.397 4.357 3.960 -0.000 0.000 0.192 326 G HA3 0.397 4.357 3.960 -0.000 0.000 0.192 326 G C -0.203 174.654 174.900 -0.071 0.000 1.368 326 G CA 0.426 45.488 45.100 -0.064 0.000 0.685 326 G HN 0.757 nan 8.290 nan 0.000 0.608 327 N N -1.650 116.952 118.700 -0.164 0.000 2.846 327 N HA 0.564 5.304 4.740 -0.000 0.000 0.248 327 N C -1.742 173.685 175.510 -0.138 0.000 1.097 327 N CA -0.648 52.345 53.050 -0.095 0.000 1.013 327 N CB 1.291 39.751 38.487 -0.044 0.000 1.686 327 N HN 0.165 nan 8.380 nan 0.000 0.520 328 F N -0.502 119.475 119.950 0.045 0.000 2.858 328 F HA 0.659 5.186 4.527 -0.000 0.000 0.319 328 F C -0.424 175.398 175.800 0.036 0.000 1.166 328 F CA -0.848 57.180 58.000 0.047 0.000 0.899 328 F CB 1.514 40.551 39.000 0.063 0.000 1.332 328 F HN 0.682 nan 8.300 nan 0.000 0.461 329 S N -0.107 115.725 115.700 0.220 0.000 2.617 329 S HA 0.548 5.018 4.470 -0.000 0.000 0.283 329 S C 0.623 175.263 174.600 0.066 0.000 1.189 329 S CA -0.570 57.692 58.200 0.102 0.000 1.036 329 S CB 1.572 64.807 63.200 0.058 0.000 1.014 329 S HN 0.425 nan 8.310 nan 0.000 0.522 330 V N 2.779 122.716 119.914 0.037 0.000 2.317 330 V HA -0.181 3.938 4.120 -0.000 0.000 0.251 330 V C 2.680 178.787 176.094 0.022 0.000 1.065 330 V CA 2.548 64.858 62.300 0.016 0.000 1.049 330 V CB -1.738 30.077 31.823 -0.014 0.000 0.651 330 V HN 1.057 nan 8.190 nan 0.000 0.450 331 G N -1.121 107.690 108.800 0.019 0.000 2.408 331 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 331 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 331 G C 1.614 176.547 174.900 0.054 0.000 1.150 331 G CA 0.741 45.858 45.100 0.029 0.000 0.776 331 G HN 0.449 nan 8.290 nan 0.000 0.542 332 L N 0.007 121.238 121.223 0.012 0.000 2.056 332 L HA 0.070 4.410 4.340 -0.000 0.000 0.207 332 L C 2.846 179.732 176.870 0.027 0.000 1.078 332 L CA 0.777 55.608 54.840 -0.013 0.000 0.749 332 L CB -0.180 41.776 42.059 -0.170 0.000 0.901 332 L HN 0.219 nan 8.230 nan 0.000 0.433 333 L N -0.467 120.767 121.223 0.018 0.000 1.970 333 L HA -0.298 4.042 4.340 -0.000 0.000 0.212 333 L C 2.552 179.491 176.870 0.114 0.000 1.071 333 L CA 1.405 56.281 54.840 0.060 0.000 0.751 333 L CB -0.691 41.415 42.059 0.079 0.000 0.889 333 L HN 0.279 nan 8.230 nan 0.000 0.432 334 L N -1.079 120.206 121.223 0.104 0.000 2.129 334 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 334 L C 2.558 179.551 176.870 0.205 0.000 1.087 334 L CA 1.377 56.304 54.840 0.145 0.000 0.757 334 L CB -0.595 41.520 42.059 0.093 0.000 0.896 334 L HN 0.248 nan 8.230 nan 0.000 0.434 335 F N 0.655 120.631 119.950 0.045 0.000 2.163 335 F HA -0.126 4.401 4.527 -0.000 0.000 0.297 335 F C 2.274 178.090 175.800 0.027 0.000 1.094 335 F CA 1.316 59.331 58.000 0.025 0.000 1.290 335 F CB 0.023 39.013 39.000 -0.017 0.000 1.017 335 F HN -0.139 nan 8.300 nan 0.000 0.483 336 I N -0.607 119.937 120.570 -0.042 0.000 2.546 336 I HA -0.218 3.952 4.170 -0.000 0.000 0.255 336 I C 2.146 178.215 176.117 -0.079 0.000 1.163 336 I CA 0.640 61.852 61.300 -0.146 0.000 1.457 336 I CB -0.522 37.467 38.000 -0.018 0.000 1.092 336 I HN 0.217 nan 8.210 nan 0.000 0.434 337 F N 2.191 122.076 119.950 -0.109 0.000 2.031 337 F HA -0.223 4.304 4.527 -0.000 0.000 0.295 337 F C 2.296 178.037 175.800 -0.100 0.000 1.133 337 F CA 1.805 59.762 58.000 -0.073 0.000 1.188 337 F CB -0.420 38.559 39.000 -0.035 0.000 0.974 337 F HN -0.138 nan 8.300 nan 0.000 0.473 338 I N -0.299 120.175 120.570 -0.159 0.000 2.361 338 I HA -0.309 3.861 4.170 -0.000 0.000 0.251 338 I C 2.131 178.067 176.117 -0.302 0.000 1.133 338 I CA 1.560 62.700 61.300 -0.267 0.000 1.413 338 I CB -0.939 37.014 38.000 -0.079 0.000 1.073 338 I HN 0.239 nan 8.210 nan 0.000 0.424 339 T N 0.556 114.884 114.554 -0.377 0.000 2.674 339 T HA -0.168 4.182 4.350 -0.000 0.000 0.265 339 T C 2.005 176.557 174.700 -0.247 0.000 1.039 339 T CA 1.297 63.173 62.100 -0.372 0.000 1.150 339 T CB -0.261 68.282 68.868 -0.541 0.000 0.864 339 T HN 0.329 nan 8.240 nan 0.000 0.427 340 R N 0.420 120.777 120.500 -0.239 0.000 2.189 340 R HA 0.029 4.369 4.340 -0.000 0.000 0.223 340 R C 2.405 178.596 176.300 -0.182 0.000 1.092 340 R CA 0.521 56.519 56.100 -0.171 0.000 0.989 340 R CB -0.465 29.757 30.300 -0.130 0.000 0.876 340 R HN 0.252 nan 8.270 nan 0.000 0.457 341 V N 0.769 120.501 119.914 -0.303 0.000 2.358 341 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 341 V C 2.393 178.447 176.094 -0.067 0.000 1.047 341 V CA 1.842 64.009 62.300 -0.221 0.000 1.035 341 V CB -0.213 31.374 31.823 -0.393 0.000 0.658 341 V HN 0.284 nan 8.190 nan 0.000 0.452 342 V N -2.205 117.643 119.914 -0.110 0.000 2.591 342 V HA -0.133 3.987 4.120 -0.000 0.000 0.249 342 V C 2.135 178.209 176.094 -0.032 0.000 1.053 342 V CA 2.319 64.577 62.300 -0.070 0.000 1.068 342 V CB -0.991 30.781 31.823 -0.084 0.000 0.689 342 V HN 0.520 nan 8.190 nan 0.000 0.462 343 T N 1.695 116.224 114.554 -0.042 0.000 2.857 343 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 343 T C 2.025 176.752 174.700 0.046 0.000 1.048 343 T CA 2.244 64.341 62.100 -0.005 0.000 1.139 343 T CB -0.573 68.276 68.868 -0.031 0.000 0.874 343 T HN 0.874 nan 8.240 nan 0.000 0.455 344 T N 1.491 116.078 114.554 0.055 0.000 2.777 344 T HA 0.060 4.410 4.350 -0.000 0.000 0.266 344 T C 2.052 176.863 174.700 0.185 0.000 1.040 344 T CA 0.597 62.769 62.100 0.120 0.000 1.141 344 T CB -0.787 68.158 68.868 0.128 0.000 0.868 344 T HN 0.246 nan 8.240 nan 0.000 0.444 345 L N 0.662 121.965 121.223 0.134 0.000 1.956 345 L HA -0.094 4.246 4.340 -0.000 0.000 0.216 345 L C 2.917 179.884 176.870 0.162 0.000 1.073 345 L CA 1.690 56.586 54.840 0.093 0.000 0.762 345 L CB -0.879 41.155 42.059 -0.042 0.000 0.889 345 L HN 0.247 nan 8.230 nan 0.000 0.433 346 L N -0.855 120.454 121.223 0.143 0.000 1.978 346 L HA -0.348 3.992 4.340 -0.000 0.000 0.218 346 L C 2.793 179.876 176.870 0.356 0.000 1.075 346 L CA 1.801 56.820 54.840 0.298 0.000 0.767 346 L CB -0.834 41.350 42.059 0.208 0.000 0.890 346 L HN 0.467 nan 8.230 nan 0.000 0.434 347 C N -1.203 118.246 119.300 0.247 0.000 2.425 347 C HA -0.199 4.261 4.460 -0.000 0.000 0.277 347 C C 2.650 177.819 174.990 0.297 0.000 1.280 347 C CA 0.575 59.738 59.018 0.243 0.000 1.744 347 C CB -0.896 26.953 27.740 0.181 0.000 1.989 347 C HN 0.520 nan 8.230 nan 0.000 0.491 348 F N 1.732 121.780 119.950 0.163 0.000 2.123 348 F HA -0.012 4.515 4.527 -0.000 0.000 0.289 348 F C 2.511 178.427 175.800 0.193 0.000 1.099 348 F CA 1.847 59.938 58.000 0.152 0.000 1.234 348 F CB -0.709 38.372 39.000 0.134 0.000 1.034 348 F HN 0.002 nan 8.300 nan 0.000 0.479 349 S N 0.244 116.071 115.700 0.211 0.000 2.440 349 S HA -0.211 4.259 4.470 -0.000 0.000 0.238 349 S C 2.232 177.043 174.600 0.351 0.000 1.010 349 S CA 1.214 59.497 58.200 0.139 0.000 0.972 349 S CB -0.852 62.411 63.200 0.106 0.000 0.774 349 S HN 0.630 nan 8.310 nan 0.000 0.501 350 S N 1.072 117.040 115.700 0.446 0.000 2.359 350 S HA 0.025 4.495 4.470 -0.000 0.000 0.224 350 S C 1.769 176.565 174.600 0.326 0.000 1.035 350 S CA 1.526 59.822 58.200 0.160 0.000 1.018 350 S CB -0.670 62.583 63.200 0.089 0.000 0.876 350 S HN 0.838 nan 8.310 nan 0.000 0.448 351 G N 0.357 109.281 108.800 0.208 0.000 2.318 351 G HA2 0.196 4.156 3.960 -0.000 0.000 0.172 351 G HA3 0.196 4.156 3.960 -0.000 0.000 0.172 351 G C 0.233 175.051 174.900 -0.137 0.000 1.002 351 G CA -0.035 45.165 45.100 0.167 0.000 0.697 351 G HN 1.197 nan 8.290 nan 0.000 0.483 352 A N 0.840 123.457 122.820 -0.338 0.000 2.583 352 A HA 0.512 4.831 4.320 -0.000 0.000 0.231 352 A C -1.932 175.486 177.584 -0.276 0.000 1.065 352 A CA 0.164 51.832 52.037 -0.616 0.000 0.760 352 A CB -0.173 18.571 19.000 -0.427 0.000 1.001 352 A HN 0.150 nan 8.150 nan 0.000 0.509 353 P HA 0.455 nan 4.420 nan 0.000 0.275 353 P C 0.167 177.452 177.300 -0.025 0.000 1.276 353 P CA 0.827 63.858 63.100 -0.116 0.000 0.782 353 P CB 0.861 32.497 31.700 -0.107 0.000 0.851 354 G N 1.970 110.797 108.800 0.045 0.000 2.411 354 G HA2 0.504 4.464 3.960 -0.000 0.000 0.295 354 G HA3 0.504 4.464 3.960 -0.000 0.000 0.295 354 G C -0.970 174.064 174.900 0.223 0.000 1.542 354 G CA -0.495 44.676 45.100 0.118 0.000 0.814 354 G HN 0.498 nan 8.290 nan 0.000 0.557 355 G N -1.036 107.864 108.800 0.167 0.000 2.451 355 G HA2 0.542 4.502 3.960 -0.000 0.000 0.303 355 G HA3 0.542 4.502 3.960 -0.000 0.000 0.303 355 G C 0.472 175.444 174.900 0.120 0.000 1.166 355 G CA -0.430 44.776 45.100 0.177 0.000 0.884 355 G HN 0.969 nan 8.290 nan 0.000 0.514 356 I N 0.792 121.357 120.570 -0.008 0.000 4.082 356 I HA 0.278 4.448 4.170 -0.000 0.000 0.337 356 I C 1.383 177.492 176.117 -0.013 0.000 1.352 356 I CA -0.444 60.710 61.300 -0.244 0.000 1.097 356 I CB 0.044 37.464 38.000 -0.967 0.000 1.048 356 I HN 0.581 nan 8.210 nan 0.000 0.393 357 F N 1.753 121.705 119.950 0.003 0.000 2.022 357 F HA -0.158 4.368 4.527 -0.000 0.000 0.293 357 F C 2.547 178.383 175.800 0.059 0.000 1.142 357 F CA 2.377 60.415 58.000 0.063 0.000 1.177 357 F CB -0.317 38.782 39.000 0.165 0.000 0.982 357 F HN 0.085 nan 8.300 nan 0.000 0.473 358 A N 0.324 123.425 122.820 0.469 0.000 1.917 358 A HA -0.167 4.152 4.320 -0.000 0.000 0.219 358 A C -0.327 177.271 177.584 0.024 0.000 1.182 358 A CA 2.134 54.342 52.037 0.284 0.000 0.633 358 A CB -2.212 16.819 19.000 0.051 0.000 0.819 358 A HN 0.363 nan 8.150 nan 0.000 0.448 359 P HA -0.134 nan 4.420 nan 0.000 0.218 359 P C 1.613 178.856 177.300 -0.096 0.000 1.148 359 P CA 1.256 64.320 63.100 -0.061 0.000 0.822 359 P CB -0.124 31.556 31.700 -0.034 0.000 0.784 360 M N -1.695 117.821 119.600 -0.140 0.000 2.156 360 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 360 M C 1.967 178.163 176.300 -0.174 0.000 1.067 360 M CA 1.532 56.682 55.300 -0.249 0.000 1.131 360 M CB -0.825 31.574 32.600 -0.335 0.000 1.368 360 M HN -0.079 nan 8.290 nan 0.000 0.416 361 L N -0.164 120.992 121.223 -0.113 0.000 2.129 361 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 361 L C 2.694 179.580 176.870 0.027 0.000 1.087 361 L CA 1.233 56.048 54.840 -0.043 0.000 0.757 361 L CB -0.885 41.230 42.059 0.093 0.000 0.896 361 L HN 0.324 nan 8.230 nan 0.000 0.434 362 A N -0.218 122.625 122.820 0.037 0.000 1.903 362 A HA -0.037 4.283 4.320 -0.000 0.000 0.213 362 A C 2.217 179.864 177.584 0.104 0.000 1.185 362 A CA 0.673 52.759 52.037 0.081 0.000 0.628 362 A CB -0.434 18.601 19.000 0.059 0.000 0.830 362 A HN 0.292 nan 8.150 nan 0.000 0.446 363 L N -0.431 120.826 121.223 0.056 0.000 2.042 363 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 363 L C 2.800 179.868 176.870 0.330 0.000 1.076 363 L CA 1.292 56.243 54.840 0.185 0.000 0.749 363 L CB -0.805 41.229 42.059 -0.041 0.000 0.893 363 L HN 0.502 nan 8.230 nan 0.000 0.432 364 G N -1.567 107.328 108.800 0.159 0.000 2.408 364 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 364 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 364 G C 1.666 176.691 174.900 0.208 0.000 1.150 364 G CA 1.243 46.448 45.100 0.176 0.000 0.776 364 G HN 0.306 nan 8.290 nan 0.000 0.542 365 T N 0.343 114.979 114.554 0.137 0.000 2.812 365 T HA 0.025 4.374 4.350 -0.000 0.000 0.264 365 T C 2.503 177.308 174.700 0.175 0.000 1.042 365 T CA 0.981 63.167 62.100 0.144 0.000 1.140 365 T CB -0.227 68.718 68.868 0.128 0.000 0.870 365 T HN 0.190 nan 8.240 nan 0.000 0.445 366 L N 0.968 122.306 121.223 0.192 0.000 1.989 366 L HA -0.045 4.294 4.340 -0.000 0.000 0.211 366 L C 2.678 179.588 176.870 0.067 0.000 1.071 366 L CA 1.044 55.994 54.840 0.182 0.000 0.749 366 L CB -0.639 41.581 42.059 0.269 0.000 0.890 366 L HN 0.295 nan 8.230 nan 0.000 0.431 367 L N 0.269 121.459 121.223 -0.055 0.000 2.079 367 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 367 L C 2.318 179.116 176.870 -0.120 0.000 1.081 367 L CA 2.215 56.823 54.840 -0.387 0.000 0.752 367 L CB -1.365 40.287 42.059 -0.678 0.000 0.896 367 L HN 0.327 nan 8.230 nan 0.000 0.433 368 G N -1.726 107.150 108.800 0.126 0.000 2.421 368 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 368 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 368 G C 1.462 176.495 174.900 0.221 0.000 1.143 368 G CA 0.934 46.169 45.100 0.225 0.000 0.784 368 G HN 0.395 nan 8.290 nan 0.000 0.541 369 T N 1.618 116.271 114.554 0.166 0.000 2.777 369 T HA 0.075 4.425 4.350 -0.000 0.000 0.266 369 T C 2.842 177.591 174.700 0.082 0.000 1.040 369 T CA 1.303 63.495 62.100 0.152 0.000 1.141 369 T CB -0.303 68.662 68.868 0.161 0.000 0.868 369 T HN 0.343 nan 8.240 nan 0.000 0.444 370 A N 1.451 124.297 122.820 0.043 0.000 1.865 370 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 370 A C 2.015 179.572 177.584 -0.046 0.000 1.191 370 A CA 1.616 53.646 52.037 -0.012 0.000 0.623 370 A CB -1.185 17.777 19.000 -0.063 0.000 0.826 370 A HN 0.458 nan 8.150 nan 0.000 0.444 371 F N 1.193 121.025 119.950 -0.197 0.000 2.091 371 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 371 F C 2.321 177.874 175.800 -0.412 0.000 1.103 371 F CA 1.651 59.489 58.000 -0.270 0.000 1.228 371 F CB -0.803 38.041 39.000 -0.259 0.000 0.984 371 F HN 0.226 nan 8.300 nan 0.000 0.477 372 G N 0.802 109.429 108.800 -0.288 0.000 2.628 372 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.217 372 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.217 372 G C 1.614 176.234 174.900 -0.467 0.000 1.240 372 G CA 1.350 46.062 45.100 -0.647 0.000 0.792 372 G HN 0.285 nan 8.290 nan 0.000 0.593 373 M N 1.206 120.680 119.600 -0.210 0.000 2.113 373 M HA -0.221 4.259 4.480 -0.000 0.000 0.255 373 M C 3.028 179.209 176.300 -0.197 0.000 1.073 373 M CA 1.903 57.120 55.300 -0.138 0.000 1.091 373 M CB -1.592 30.973 32.600 -0.058 0.000 1.309 373 M HN 0.363 nan 8.290 nan 0.000 0.407 374 A N -0.002 122.663 122.820 -0.259 0.000 1.865 374 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 374 A C 2.459 179.856 177.584 -0.311 0.000 1.191 374 A CA 2.850 54.726 52.037 -0.267 0.000 0.623 374 A CB -1.161 17.657 19.000 -0.304 0.000 0.826 374 A HN 0.548 nan 8.150 nan 0.000 0.444 375 A N -0.241 122.239 122.820 -0.566 0.000 1.883 375 A HA 0.110 4.430 4.320 -0.000 0.000 0.217 375 A C 2.532 180.019 177.584 -0.162 0.000 1.186 375 A CA 2.390 54.134 52.037 -0.487 0.000 0.624 375 A CB -1.172 17.197 19.000 -1.052 0.000 0.822 375 A HN 1.242 nan 8.150 nan 0.000 0.444 376 A N -0.855 121.829 122.820 -0.227 0.000 1.978 376 A HA 0.003 4.323 4.320 -0.000 0.000 0.220 376 A C 2.210 179.789 177.584 -0.007 0.000 1.170 376 A CA 1.957 53.960 52.037 -0.057 0.000 0.636 376 A CB -0.695 18.274 19.000 -0.051 0.000 0.810 376 A HN 0.386 nan 8.150 nan 0.000 0.448 377 V N -0.271 119.613 119.914 -0.049 0.000 2.300 377 V HA -0.146 3.973 4.120 -0.000 0.000 0.241 377 V C 2.435 178.482 176.094 -0.077 0.000 1.034 377 V CA 1.535 63.803 62.300 -0.053 0.000 1.021 377 V CB -0.745 31.036 31.823 -0.070 0.000 0.662 377 V HN 0.570 nan 8.190 nan 0.000 0.458 378 L N -0.857 120.311 121.223 -0.092 0.000 2.189 378 L HA -0.153 4.187 4.340 -0.000 0.000 0.214 378 L C 0.516 177.056 176.870 -0.549 0.000 1.097 378 L CA 1.604 56.280 54.840 -0.274 0.000 0.764 378 L CB -0.339 41.598 42.059 -0.204 0.000 0.900 378 L HN 0.319 nan 8.230 nan 0.000 0.436 379 F N -1.070 118.817 119.950 -0.106 0.000 2.710 379 F HA 0.292 4.819 4.527 -0.000 0.000 0.345 379 F C -1.530 174.158 175.800 -0.186 0.000 1.362 379 F CA -2.063 55.837 58.000 -0.166 0.000 1.175 379 F CB 0.256 39.189 39.000 -0.112 0.000 1.561 379 F HN -0.195 nan 8.300 nan 0.000 0.593 380 P HA -0.203 nan 4.420 nan 0.000 0.225 380 P C 0.968 178.140 177.300 -0.214 0.000 1.148 380 P CA 1.246 64.302 63.100 -0.073 0.000 0.779 380 P CB 0.215 31.880 31.700 -0.059 0.000 0.780 381 Q N -0.844 118.788 119.800 -0.280 0.000 2.226 381 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 381 Q C 1.745 177.459 176.000 -0.477 0.000 0.975 381 Q CA 1.311 56.880 55.803 -0.390 0.000 0.866 381 Q CB -1.233 27.301 28.738 -0.340 0.000 0.915 381 Q HN 0.336 nan 8.270 nan 0.000 0.440 382 Y N -0.006 120.174 120.300 -0.199 0.000 2.475 382 Y HA -0.025 4.525 4.550 -0.000 0.000 0.289 382 Y C -0.021 175.837 175.900 -0.069 0.000 1.121 382 Y CA -0.042 58.001 58.100 -0.095 0.000 1.257 382 Y CB 0.289 38.776 38.460 0.044 0.000 1.026 382 Y HN 0.249 nan 8.280 nan 0.000 0.555 383 H N -0.510 118.699 119.070 0.232 0.000 2.819 383 H HA -0.142 4.414 4.556 -0.000 0.000 0.323 383 H C -0.434 174.991 175.328 0.162 0.000 1.243 383 H CA 0.360 56.500 56.048 0.153 0.000 1.163 383 H CB -2.134 27.701 29.762 0.123 0.000 1.493 383 H HN 0.318 nan 8.280 nan 0.000 0.434 384 L N 0.920 122.290 121.223 0.245 0.000 2.380 384 L HA 0.180 4.519 4.340 -0.000 0.000 0.273 384 L C 1.073 178.061 176.870 0.198 0.000 1.138 384 L CA 0.392 55.376 54.840 0.240 0.000 0.832 384 L CB 0.831 43.024 42.059 0.223 0.000 1.124 384 L HN 0.176 nan 8.230 nan 0.000 0.454 385 E N 1.544 121.877 120.200 0.223 0.000 2.151 385 E HA 0.278 4.628 4.350 -0.000 0.000 0.275 385 E C 0.414 177.163 176.600 0.249 0.000 0.936 385 E CA -0.400 56.106 56.400 0.176 0.000 0.777 385 E CB 2.018 31.798 29.700 0.134 0.000 1.108 385 E HN 0.748 nan 8.360 nan 0.000 0.401 386 A N 3.823 126.749 122.820 0.177 0.000 1.948 386 A HA -0.206 4.113 4.320 -0.000 0.000 0.220 386 A C 2.063 179.816 177.584 0.282 0.000 1.177 386 A CA 2.097 54.255 52.037 0.202 0.000 0.636 386 A CB -1.074 17.986 19.000 0.100 0.000 0.815 386 A HN 0.837 nan 8.150 nan 0.000 0.449 387 G N -0.075 108.836 108.800 0.185 0.000 2.574 387 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.220 387 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.220 387 G C 1.817 176.811 174.900 0.156 0.000 1.173 387 G CA 2.748 47.934 45.100 0.144 0.000 0.772 387 G HN 0.894 nan 8.290 nan 0.000 0.585 388 T N -1.369 113.277 114.554 0.154 0.000 2.803 388 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 388 T C 2.076 176.796 174.700 0.034 0.000 1.052 388 T CA 1.558 63.682 62.100 0.041 0.000 1.136 388 T CB -0.431 68.414 68.868 -0.039 0.000 0.864 388 T HN 0.191 nan 8.240 nan 0.000 0.467 389 F N 1.768 121.825 119.950 0.178 0.000 2.416 389 F HA 0.478 5.004 4.527 -0.000 0.000 0.296 389 F C 2.831 178.721 175.800 0.151 0.000 1.099 389 F CA -0.024 58.098 58.000 0.202 0.000 1.427 389 F CB -0.878 38.206 39.000 0.139 0.000 1.079 389 F HN 0.257 nan 8.300 nan 0.000 0.536 390 A N 0.687 123.674 122.820 0.279 0.000 1.851 390 A HA -0.178 4.141 4.320 -0.000 0.000 0.216 390 A C 2.124 179.782 177.584 0.122 0.000 1.195 390 A CA 1.879 54.029 52.037 0.188 0.000 0.622 390 A CB -1.031 18.059 19.000 0.150 0.000 0.831 390 A HN 0.192 nan 8.150 nan 0.000 0.444 391 I N 0.343 120.960 120.570 0.078 0.000 2.151 391 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 391 I C 2.920 179.025 176.117 -0.021 0.000 1.080 391 I CA 1.382 62.690 61.300 0.012 0.000 1.339 391 I CB -0.874 37.114 38.000 -0.021 0.000 1.039 391 I HN 0.340 nan 8.210 nan 0.000 0.409 392 A N 0.022 122.838 122.820 -0.006 0.000 1.940 392 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 392 A C 2.384 179.949 177.584 -0.031 0.000 1.176 392 A CA 1.986 54.003 52.037 -0.034 0.000 0.631 392 A CB -1.392 17.653 19.000 0.074 0.000 0.814 392 A HN 0.476 nan 8.150 nan 0.000 0.446 393 G N -1.664 107.162 108.800 0.044 0.000 2.939 393 G HA2 0.089 4.049 3.960 -0.000 0.000 0.210 393 G HA3 0.089 4.049 3.960 -0.000 0.000 0.210 393 G C 1.353 176.135 174.900 -0.196 0.000 1.160 393 G CA 0.603 45.665 45.100 -0.064 0.000 0.770 393 G HN 0.459 nan 8.290 nan 0.000 0.543 394 M N 0.990 120.539 119.600 -0.086 0.000 2.195 394 M HA -0.039 4.441 4.480 -0.000 0.000 0.260 394 M C 2.045 178.236 176.300 -0.182 0.000 1.066 394 M CA 1.926 57.177 55.300 -0.082 0.000 1.089 394 M CB -0.021 32.561 32.600 -0.030 0.000 1.377 394 M HN 0.197 nan 8.290 nan 0.000 0.411 395 G N -1.841 106.814 108.800 -0.243 0.000 3.192 395 G HA2 0.369 4.329 3.960 -0.000 0.000 0.239 395 G HA3 0.369 4.329 3.960 -0.000 0.000 0.239 395 G C 1.179 175.847 174.900 -0.387 0.000 1.084 395 G CA 0.429 45.358 45.100 -0.286 0.000 0.784 395 G HN 0.545 nan 8.290 nan 0.000 0.540 396 A N 0.702 123.182 122.820 -0.566 0.000 1.968 396 A HA 0.165 4.485 4.320 -0.000 0.000 0.217 396 A C 2.151 179.302 177.584 -0.722 0.000 1.169 396 A CA 0.862 52.482 52.037 -0.695 0.000 0.638 396 A CB -0.261 18.167 19.000 -0.953 0.000 0.812 396 A HN 0.348 nan 8.150 nan 0.000 0.446 397 L N 0.097 120.814 121.223 -0.843 0.000 2.027 397 L HA -0.164 4.176 4.340 -0.000 0.000 0.206 397 L C 2.534 179.221 176.870 -0.305 0.000 1.074 397 L CA 2.952 57.550 54.840 -0.404 0.000 0.745 397 L CB -0.771 41.156 42.059 -0.219 0.000 0.898 397 L HN 0.665 nan 8.230 nan 0.000 0.433 398 M N -0.345 119.028 119.600 -0.377 0.000 2.213 398 M HA -0.023 4.457 4.480 -0.000 0.000 0.263 398 M C 2.137 178.252 176.300 -0.308 0.000 1.062 398 M CA 2.109 57.167 55.300 -0.403 0.000 1.105 398 M CB -0.971 31.252 32.600 -0.630 0.000 1.385 398 M HN 0.087 nan 8.290 nan 0.000 0.417 399 A N 0.367 123.022 122.820 -0.277 0.000 1.969 399 A HA 0.233 4.553 4.320 -0.000 0.000 0.218 399 A C 2.405 179.911 177.584 -0.130 0.000 1.169 399 A CA 1.715 53.641 52.037 -0.184 0.000 0.635 399 A CB -1.044 17.846 19.000 -0.183 0.000 0.810 399 A HN 0.727 nan 8.150 nan 0.000 0.445 400 A N -1.292 121.453 122.820 -0.126 0.000 2.081 400 A HA 0.204 4.524 4.320 -0.000 0.000 0.214 400 A C 2.293 179.853 177.584 -0.040 0.000 1.158 400 A CA 1.395 53.401 52.037 -0.053 0.000 0.724 400 A CB -0.316 18.683 19.000 -0.001 0.000 0.826 400 A HN 0.403 nan 8.150 nan 0.000 0.463 401 S N -0.312 115.346 115.700 -0.071 0.000 2.315 401 S HA -0.067 4.403 4.470 -0.000 0.000 0.211 401 S C 1.858 176.387 174.600 -0.117 0.000 1.029 401 S CA 1.371 59.540 58.200 -0.052 0.000 0.956 401 S CB -0.467 62.712 63.200 -0.036 0.000 0.918 401 S HN 0.272 nan 8.310 nan 0.000 0.470 402 V N 1.023 120.816 119.914 -0.201 0.000 2.515 402 V HA 0.066 4.186 4.120 -0.000 0.000 0.250 402 V C 1.115 177.149 176.094 -0.101 0.000 1.058 402 V CA 1.183 63.336 62.300 -0.244 0.000 1.064 402 V CB -0.977 30.686 31.823 -0.266 0.000 0.675 402 V HN 0.626 nan 8.190 nan 0.000 0.461 403 R N -0.481 119.973 120.500 -0.078 0.000 3.157 403 R HA -0.150 4.190 4.340 -0.000 0.000 0.259 403 R C -0.263 176.021 176.300 -0.028 0.000 1.018 403 R CA 0.627 56.700 56.100 -0.045 0.000 0.678 403 R CB -1.505 28.776 30.300 -0.030 0.000 1.225 403 R HN 0.565 nan 8.270 nan 0.000 0.408 404 A N 1.599 124.408 122.820 -0.018 0.000 3.370 404 A HA 0.418 4.737 4.320 -0.000 0.000 0.295 404 A C -1.605 175.975 177.584 -0.007 0.000 1.030 404 A CA -0.718 51.331 52.037 0.020 0.000 0.883 404 A CB 0.990 20.087 19.000 0.161 0.000 1.191 404 A HN 0.278 nan 8.150 nan 0.000 0.507 405 P HA -0.174 nan 4.420 nan 0.000 0.215 405 P C 1.484 178.752 177.300 -0.053 0.000 1.153 405 P CA 0.760 63.822 63.100 -0.062 0.000 0.853 405 P CB 0.301 31.965 31.700 -0.061 0.000 0.788 406 L N 0.056 121.256 121.223 -0.039 0.000 2.093 406 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 406 L C 2.253 179.114 176.870 -0.015 0.000 1.085 406 L CA 2.114 56.932 54.840 -0.037 0.000 0.755 406 L CB -1.750 40.281 42.059 -0.047 0.000 0.904 406 L HN -0.075 nan 8.230 nan 0.000 0.435 407 T N -0.839 113.731 114.554 0.027 0.000 2.812 407 T HA -0.052 4.298 4.350 -0.000 0.000 0.264 407 T C 1.726 176.446 174.700 0.032 0.000 1.042 407 T CA 1.067 63.217 62.100 0.084 0.000 1.140 407 T CB -0.776 68.245 68.868 0.255 0.000 0.870 407 T HN 0.534 nan 8.240 nan 0.000 0.445 408 G N 1.670 110.462 108.800 -0.013 0.000 2.459 408 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.217 408 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.217 408 G C 1.509 176.354 174.900 -0.092 0.000 1.183 408 G CA 0.759 45.804 45.100 -0.090 0.000 0.776 408 G HN 0.477 nan 8.290 nan 0.000 0.552 409 I N 0.252 120.774 120.570 -0.080 0.000 2.076 409 I HA -0.201 3.969 4.170 -0.000 0.000 0.237 409 I C 2.822 178.907 176.117 -0.053 0.000 1.059 409 I CA 0.957 62.211 61.300 -0.076 0.000 1.317 409 I CB -0.591 37.368 38.000 -0.068 0.000 1.037 409 I HN 0.033 nan 8.210 nan 0.000 0.398 410 V N 0.981 120.874 119.914 -0.035 0.000 2.392 410 V HA -0.286 3.834 4.120 -0.000 0.000 0.249 410 V C 2.359 178.430 176.094 -0.038 0.000 1.059 410 V CA 1.592 63.878 62.300 -0.023 0.000 1.051 410 V CB -0.538 31.275 31.823 -0.017 0.000 0.658 410 V HN 0.413 nan 8.190 nan 0.000 0.455 411 L N -0.325 120.865 121.223 -0.056 0.000 2.017 411 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 411 L C 2.440 179.250 176.870 -0.100 0.000 1.073 411 L CA 1.696 56.474 54.840 -0.103 0.000 0.745 411 L CB -0.140 41.826 42.059 -0.156 0.000 0.894 411 L HN 0.207 nan 8.230 nan 0.000 0.432 412 V N 0.032 119.893 119.914 -0.088 0.000 2.261 412 V HA -0.350 3.770 4.120 -0.000 0.000 0.246 412 V C 2.446 178.511 176.094 -0.049 0.000 1.047 412 V CA 1.827 64.082 62.300 -0.074 0.000 1.015 412 V CB -0.473 31.302 31.823 -0.081 0.000 0.642 412 V HN 0.441 nan 8.190 nan 0.000 0.446 413 L N -0.160 121.042 121.223 -0.034 0.000 2.051 413 L HA -0.286 4.054 4.340 -0.000 0.000 0.214 413 L C 2.632 179.499 176.870 -0.006 0.000 1.076 413 L CA 2.085 56.925 54.840 0.000 0.000 0.758 413 L CB -0.285 41.795 42.059 0.035 0.000 0.890 413 L HN 0.471 nan 8.230 nan 0.000 0.433 414 E N -0.847 119.339 120.200 -0.023 0.000 2.107 414 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 414 E C 2.198 178.776 176.600 -0.036 0.000 0.982 414 E CA 1.341 57.724 56.400 -0.029 0.000 0.809 414 E CB 0.019 29.699 29.700 -0.034 0.000 0.756 414 E HN 0.578 nan 8.360 nan 0.000 0.459 415 M N -0.506 119.067 119.600 -0.046 0.000 2.357 415 M HA -0.013 4.467 4.480 -0.000 0.000 0.266 415 M C 2.121 178.396 176.300 -0.041 0.000 1.095 415 M CA 0.941 56.209 55.300 -0.053 0.000 1.156 415 M CB 0.120 32.678 32.600 -0.070 0.000 1.365 415 M HN -0.006 nan 8.290 nan 0.000 0.447 416 T N -0.601 113.935 114.554 -0.031 0.000 2.814 416 T HA -0.086 4.264 4.350 -0.000 0.000 0.254 416 T C 0.371 175.066 174.700 -0.009 0.000 1.037 416 T CA 1.034 63.122 62.100 -0.020 0.000 1.143 416 T CB -0.137 68.718 68.868 -0.023 0.000 0.866 416 T HN 0.389 nan 8.240 nan 0.000 0.431 417 D N 1.489 121.888 120.400 -0.002 0.000 2.718 417 D HA -0.128 4.512 4.640 -0.000 0.000 0.242 417 D C -0.850 175.464 176.300 0.024 0.000 1.123 417 D CA 0.191 54.201 54.000 0.016 0.000 0.690 417 D CB -1.568 39.236 40.800 0.007 0.000 1.059 417 D HN 0.268 nan 8.370 nan 0.000 0.429 418 N N 1.286 119.998 118.700 0.020 0.000 2.757 418 N HA 0.036 4.776 4.740 -0.000 0.000 0.296 418 N C 0.482 175.988 175.510 -0.007 0.000 1.874 418 N CA -0.455 52.596 53.050 0.001 0.000 0.885 418 N CB 0.072 38.539 38.487 -0.034 0.000 1.242 418 N HN 0.255 nan 8.380 nan 0.000 0.488 419 Y N 2.493 122.758 120.300 -0.058 0.000 2.348 419 Y HA -0.249 4.301 4.550 -0.000 0.000 0.285 419 Y C 2.430 178.284 175.900 -0.076 0.000 1.173 419 Y CA 1.880 59.941 58.100 -0.065 0.000 1.263 419 Y CB 0.302 38.732 38.460 -0.051 0.000 0.974 419 Y HN 0.384 nan 8.280 nan 0.000 0.547 420 Q N 0.010 119.706 119.800 -0.172 0.000 2.500 420 Q HA -0.111 4.229 4.340 -0.000 0.000 0.213 420 Q C 0.857 176.685 176.000 -0.287 0.000 0.974 420 Q CA 1.387 57.058 55.803 -0.220 0.000 0.918 420 Q CB -0.545 28.132 28.738 -0.102 0.000 0.980 420 Q HN 0.645 nan 8.270 nan 0.000 0.505 421 L N 0.630 121.673 121.223 -0.300 0.000 2.818 421 L HA 0.282 4.622 4.340 -0.000 0.000 0.243 421 L C 1.866 178.509 176.870 -0.378 0.000 1.185 421 L CA -0.231 54.413 54.840 -0.326 0.000 0.988 421 L CB 0.051 41.959 42.059 -0.251 0.000 1.292 421 L HN 0.124 nan 8.230 nan 0.000 0.519 422 I N -0.052 120.239 120.570 -0.466 0.000 2.286 422 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 422 I C 2.202 178.117 176.117 -0.336 0.000 1.115 422 I CA 1.427 62.482 61.300 -0.408 0.000 1.392 422 I CB 0.298 37.961 38.000 -0.563 0.000 1.065 422 I HN 0.329 nan 8.210 nan 0.000 0.418 423 L N 1.044 122.054 121.223 -0.356 0.000 1.976 423 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 423 L C -0.286 176.353 176.870 -0.385 0.000 1.071 423 L CA 1.751 56.408 54.840 -0.304 0.000 0.746 423 L CB -1.952 39.945 42.059 -0.271 0.000 0.890 423 L HN 0.184 nan 8.230 nan 0.000 0.432 424 P HA -0.210 nan 4.420 nan 0.000 0.215 424 P C 1.809 178.787 177.300 -0.536 0.000 1.157 424 P CA 1.639 64.154 63.100 -0.975 0.000 0.874 424 P CB 0.012 30.710 31.700 -1.671 0.000 0.790 425 M N -1.534 117.826 119.600 -0.400 0.000 2.082 425 M HA -0.192 4.288 4.480 -0.000 0.000 0.258 425 M C 2.163 178.349 176.300 -0.189 0.000 1.071 425 M CA 2.039 57.191 55.300 -0.246 0.000 1.103 425 M CB -1.087 31.389 32.600 -0.207 0.000 1.307 425 M HN -0.110 nan 8.290 nan 0.000 0.409 426 I N 0.155 120.616 120.570 -0.182 0.000 2.163 426 I HA -0.323 3.847 4.170 -0.000 0.000 0.243 426 I C 2.313 178.362 176.117 -0.113 0.000 1.085 426 I CA 1.456 62.676 61.300 -0.132 0.000 1.347 426 I CB -0.512 37.417 38.000 -0.119 0.000 1.044 426 I HN 0.294 nan 8.210 nan 0.000 0.408 427 I N 0.401 120.896 120.570 -0.126 0.000 2.076 427 I HA -0.315 3.855 4.170 -0.000 0.000 0.237 427 I C 2.631 178.722 176.117 -0.044 0.000 1.059 427 I CA 1.966 63.222 61.300 -0.074 0.000 1.317 427 I CB -0.781 37.181 38.000 -0.064 0.000 1.037 427 I HN 0.223 nan 8.210 nan 0.000 0.398 428 T N 0.054 114.587 114.554 -0.034 0.000 2.699 428 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 428 T C 1.996 176.662 174.700 -0.057 0.000 1.036 428 T CA 1.653 63.753 62.100 -0.001 0.000 1.147 428 T CB -0.511 68.381 68.868 0.040 0.000 0.862 428 T HN 0.418 nan 8.240 nan 0.000 0.446 429 C N 0.502 119.738 119.300 -0.106 0.000 2.476 429 C HA 0.123 4.583 4.460 -0.000 0.000 0.278 429 C C 2.620 177.556 174.990 -0.090 0.000 1.274 429 C CA 0.108 59.047 59.018 -0.132 0.000 1.713 429 C CB -1.190 26.464 27.740 -0.143 0.000 2.039 429 C HN 0.466 nan 8.230 nan 0.000 0.484 430 L N 1.722 122.902 121.223 -0.071 0.000 2.056 430 L HA 0.116 4.456 4.340 -0.000 0.000 0.207 430 L C 2.391 179.242 176.870 -0.032 0.000 1.078 430 L CA 2.339 57.148 54.840 -0.052 0.000 0.749 430 L CB -1.410 40.619 42.059 -0.051 0.000 0.901 430 L HN 0.338 nan 8.230 nan 0.000 0.433 431 G N -0.743 108.042 108.800 -0.024 0.000 2.514 431 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.217 431 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.217 431 G C 1.630 176.539 174.900 0.015 0.000 1.198 431 G CA 1.115 46.214 45.100 -0.002 0.000 0.780 431 G HN 0.632 nan 8.290 nan 0.000 0.565 432 A N 0.101 122.932 122.820 0.019 0.000 1.892 432 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 432 A C 2.553 180.153 177.584 0.027 0.000 1.188 432 A CA 2.718 54.783 52.037 0.046 0.000 0.631 432 A CB -1.116 17.910 19.000 0.042 0.000 0.822 432 A HN 0.347 nan 8.150 nan 0.000 0.447 433 T N 0.562 115.111 114.554 -0.007 0.000 2.643 433 T HA -0.113 4.237 4.350 -0.000 0.000 0.264 433 T C 1.813 176.525 174.700 0.021 0.000 1.045 433 T CA 1.406 63.502 62.100 -0.007 0.000 1.155 433 T CB -0.362 68.489 68.868 -0.030 0.000 0.863 433 T HN 0.189 nan 8.240 nan 0.000 0.420 434 L N 1.107 122.340 121.223 0.017 0.000 1.978 434 L HA -0.091 4.249 4.340 -0.000 0.000 0.218 434 L C 2.519 179.442 176.870 0.088 0.000 1.075 434 L CA 1.592 56.452 54.840 0.033 0.000 0.767 434 L CB -1.685 40.375 42.059 0.002 0.000 0.890 434 L HN 0.270 nan 8.230 nan 0.000 0.434 435 L N -0.057 121.220 121.223 0.089 0.000 1.971 435 L HA -0.256 4.084 4.340 -0.000 0.000 0.215 435 L C 2.628 179.596 176.870 0.164 0.000 1.072 435 L CA 2.517 57.450 54.840 0.155 0.000 0.758 435 L CB -1.102 41.024 42.059 0.112 0.000 0.889 435 L HN 0.335 nan 8.230 nan 0.000 0.433 436 A N -0.783 122.097 122.820 0.100 0.000 1.948 436 A HA -0.322 3.997 4.320 -0.000 0.000 0.220 436 A C 2.238 179.860 177.584 0.064 0.000 1.177 436 A CA 2.156 54.236 52.037 0.072 0.000 0.636 436 A CB -0.639 18.393 19.000 0.054 0.000 0.815 436 A HN 0.721 nan 8.150 nan 0.000 0.449 437 Q N -1.778 118.070 119.800 0.080 0.000 2.016 437 Q HA -0.172 4.168 4.340 -0.000 0.000 0.200 437 Q C 1.917 177.980 176.000 0.105 0.000 0.978 437 Q CA 1.766 57.614 55.803 0.074 0.000 0.833 437 Q CB -0.322 28.459 28.738 0.073 0.000 0.895 437 Q HN 0.639 nan 8.270 nan 0.000 0.427 438 F N 0.966 120.918 119.950 0.003 0.000 2.120 438 F HA -0.218 4.309 4.527 -0.000 0.000 0.300 438 F C 1.469 177.274 175.800 0.008 0.000 1.095 438 F CA 1.008 59.011 58.000 0.005 0.000 1.249 438 F CB -0.320 38.683 39.000 0.005 0.000 0.995 438 F HN 0.194 nan 8.300 nan 0.000 0.480 439 L N 1.105 122.239 121.223 -0.147 0.000 2.737 439 L HA 0.229 4.569 4.340 -0.000 0.000 0.246 439 L C 1.170 177.944 176.870 -0.161 0.000 1.153 439 L CA 0.902 55.602 54.840 -0.234 0.000 0.920 439 L CB -1.209 40.818 42.059 -0.054 0.000 1.090 439 L HN 0.443 nan 8.230 nan 0.000 0.430 440 G N -0.758 107.959 108.800 -0.138 0.000 2.341 440 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.278 440 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.278 440 G C 0.426 175.305 174.900 -0.034 0.000 1.111 440 G CA -0.030 45.021 45.100 -0.082 0.000 0.982 440 G HN 0.778 nan 8.290 nan 0.000 0.502 441 G N -0.476 108.317 108.800 -0.012 0.000 2.420 441 G HA2 0.703 4.662 3.960 -0.000 0.000 0.331 441 G HA3 0.703 4.662 3.960 -0.000 0.000 0.331 441 G C -0.453 174.451 174.900 0.007 0.000 1.168 441 G CA -0.725 44.377 45.100 0.004 0.000 0.936 441 G HN 0.240 nan 8.290 nan 0.000 0.479 442 K N 1.125 121.531 120.400 0.009 0.000 2.318 442 K HA 0.419 4.739 4.320 -0.000 0.000 0.249 442 K C -2.704 173.901 176.600 0.009 0.000 0.942 442 K CA -1.981 54.314 56.287 0.013 0.000 0.808 442 K CB 2.404 34.916 32.500 0.019 0.000 1.189 442 K HN 0.181 nan 8.250 nan 0.000 0.428 443 P HA -0.028 nan 4.420 nan 0.000 0.262 443 P C 0.890 178.191 177.300 0.002 0.000 1.199 443 P CA -0.184 62.911 63.100 -0.008 0.000 0.763 443 P CB 0.410 32.123 31.700 0.021 0.000 0.790 444 L N 5.150 126.332 121.223 -0.068 0.000 2.043 444 L HA -0.239 4.100 4.340 -0.000 0.000 0.212 444 L C 1.753 178.705 176.870 0.136 0.000 1.075 444 L CA 1.923 56.752 54.840 -0.019 0.000 0.752 444 L CB -1.269 40.725 42.059 -0.109 0.000 0.891 444 L HN 0.443 nan 8.230 nan 0.000 0.432 445 Y N -1.353 119.032 120.300 0.142 0.000 2.200 445 Y HA -0.223 4.326 4.550 -0.000 0.000 0.290 445 Y C 2.661 178.633 175.900 0.119 0.000 1.137 445 Y CA 0.685 58.879 58.100 0.156 0.000 1.163 445 Y CB -0.384 38.192 38.460 0.194 0.000 0.988 445 Y HN 0.194 nan 8.280 nan 0.000 0.518 446 S N -0.215 115.631 115.700 0.245 0.000 2.359 446 S HA -0.200 4.270 4.470 -0.000 0.000 0.224 446 S C 2.004 176.682 174.600 0.129 0.000 1.035 446 S CA 1.863 60.156 58.200 0.155 0.000 1.018 446 S CB -0.631 62.631 63.200 0.102 0.000 0.876 446 S HN 0.450 nan 8.310 nan 0.000 0.448 447 T N 2.877 117.502 114.554 0.118 0.000 2.622 447 T HA -0.043 4.306 4.350 -0.000 0.000 0.266 447 T C 1.776 176.545 174.700 0.115 0.000 1.047 447 T CA 1.425 63.583 62.100 0.098 0.000 1.159 447 T CB -0.561 68.355 68.868 0.081 0.000 0.863 447 T HN 0.310 nan 8.240 nan 0.000 0.422 448 I N 1.272 121.938 120.570 0.160 0.000 2.194 448 I HA -0.165 4.005 4.170 -0.000 0.000 0.246 448 I C 2.495 178.689 176.117 0.128 0.000 1.093 448 I CA 1.003 62.400 61.300 0.162 0.000 1.355 448 I CB -0.491 37.649 38.000 0.234 0.000 1.046 448 I HN 0.229 nan 8.210 nan 0.000 0.413 449 L N 1.220 122.524 121.223 0.135 0.000 2.046 449 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 449 L C 2.692 179.610 176.870 0.081 0.000 1.077 449 L CA 2.305 57.206 54.840 0.101 0.000 0.747 449 L CB -0.891 41.233 42.059 0.108 0.000 0.896 449 L HN 0.236 nan 8.230 nan 0.000 0.432 450 A N 0.405 123.273 122.820 0.081 0.000 1.877 450 A HA -0.209 4.110 4.320 -0.000 0.000 0.216 450 A C 2.282 179.901 177.584 0.059 0.000 1.186 450 A CA 1.447 53.523 52.037 0.064 0.000 0.620 450 A CB -0.491 18.545 19.000 0.060 0.000 0.822 450 A HN 0.491 nan 8.150 nan 0.000 0.443 451 R N -1.325 119.214 120.500 0.065 0.000 2.092 451 R HA -0.084 4.256 4.340 -0.000 0.000 0.231 451 R C 2.316 178.652 176.300 0.060 0.000 1.119 451 R CA 1.560 57.696 56.100 0.060 0.000 0.970 451 R CB -0.813 29.526 30.300 0.064 0.000 0.864 451 R HN 0.564 nan 8.270 nan 0.000 0.440 452 T N 0.844 115.437 114.554 0.064 0.000 2.962 452 T HA 0.004 4.353 4.350 -0.000 0.000 0.270 452 T C 1.769 176.497 174.700 0.046 0.000 1.088 452 T CA 0.721 62.855 62.100 0.057 0.000 1.127 452 T CB 0.057 68.958 68.868 0.054 0.000 0.883 452 T HN 0.120 nan 8.240 nan 0.000 0.493 453 L N 0.022 121.273 121.223 0.046 0.000 2.307 453 L HA 0.258 4.598 4.340 -0.000 0.000 0.211 453 L C 3.017 179.909 176.870 0.037 0.000 1.099 453 L CA 0.776 55.639 54.840 0.040 0.000 0.816 453 L CB -0.496 41.588 42.059 0.041 0.000 0.952 453 L HN 0.274 nan 8.230 nan 0.000 0.455 454 A N 0.352 123.196 122.820 0.040 0.000 1.855 454 A HA -0.226 4.093 4.320 -0.000 0.000 0.215 454 A C 2.325 179.931 177.584 0.036 0.000 1.191 454 A CA 1.631 53.690 52.037 0.036 0.000 0.613 454 A CB -0.369 18.653 19.000 0.037 0.000 0.829 454 A HN 0.253 nan 8.150 nan 0.000 0.442 455 K N -0.805 119.620 120.400 0.042 0.000 2.362 455 K HA -0.191 4.129 4.320 -0.000 0.000 0.200 455 K C 2.108 178.732 176.600 0.039 0.000 1.046 455 K CA 1.439 57.754 56.287 0.045 0.000 0.952 455 K CB -0.054 32.481 32.500 0.059 0.000 0.753 455 K HN 0.449 nan 8.250 nan 0.000 0.466 456 Q N 1.246 121.066 119.800 0.034 0.000 2.046 456 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 456 Q C 1.340 177.354 176.000 0.024 0.000 0.975 456 Q CA 1.944 57.763 55.803 0.027 0.000 0.836 456 Q CB 0.092 28.845 28.738 0.025 0.000 0.896 456 Q HN 0.328 nan 8.270 nan 0.000 0.428 457 D N -0.487 119.928 120.400 0.025 0.000 2.137 457 D HA -0.044 4.596 4.640 -0.000 0.000 0.202 457 D C 1.433 177.746 176.300 0.022 0.000 0.970 457 D CA 1.162 55.175 54.000 0.022 0.000 0.837 457 D CB -0.228 40.585 40.800 0.023 0.000 0.981 457 D HN 0.366 nan 8.370 nan 0.000 0.475 458 A N 0.746 123.581 122.820 0.025 0.000 2.298 458 A HA -0.221 4.099 4.320 -0.000 0.000 0.215 458 A C 1.723 179.321 177.584 0.024 0.000 1.193 458 A CA 1.496 53.548 52.037 0.025 0.000 0.697 458 A CB -0.291 18.727 19.000 0.029 0.000 0.774 458 A HN 0.301 nan 8.150 nan 0.000 0.492 459 E N -2.433 117.780 120.200 0.022 0.000 2.520 459 E HA -0.029 4.321 4.350 -0.000 0.000 0.201 459 E C 1.816 178.425 176.600 0.015 0.000 0.894 459 E CA -0.038 56.374 56.400 0.019 0.000 1.161 459 E CB -0.226 29.487 29.700 0.021 0.000 1.137 459 E HN 0.360 nan 8.360 nan 0.000 0.510 460 Q N 0.700 120.508 119.800 0.014 0.000 2.135 460 Q HA -0.083 4.257 4.340 -0.000 0.000 0.204 460 Q C 1.329 177.336 176.000 0.011 0.000 0.981 460 Q CA 1.459 57.269 55.803 0.011 0.000 0.856 460 Q CB -0.066 28.679 28.738 0.012 0.000 0.902 460 Q HN 0.172 nan 8.270 nan 0.000 0.425 461 A N -0.079 122.749 122.820 0.013 0.000 2.708 461 A HA 0.433 4.753 4.320 -0.000 0.000 0.293 461 A C 0.512 178.103 177.584 0.012 0.000 1.303 461 A CA 0.413 52.457 52.037 0.012 0.000 0.949 461 A CB -0.231 18.777 19.000 0.013 0.000 1.121 461 A HN 0.241 nan 8.150 nan 0.000 0.542 462 E N 0.000 120.207 120.200 0.012 0.000 2.725 462 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 462 E CA 0.000 56.407 56.400 0.012 0.000 0.976 462 E CB 0.000 29.709 29.700 0.015 0.000 0.812 462 E HN 0.000 nan 8.360 nan 0.000 0.440