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 3ias_1_3 DATA FIRST_RESID 1 DATA SEQUENCE MVRVKVNDRI VEVPPGTSVM DAVFHAGYDV PLFCSEKHLS PIGACRMCLV DATA SEQUENCE RIGLPXXXXX XXXXXXXXXX XXIQWQPKLA ASCVTAVADG MVVDTLSDVV DATA SEQUENCE REAQAGMVEF TLLNHPLDCP TCDKGGACEL QDRTVEYGLY EKYXXXXXXE DATA SEQUENCE LPVYTRFEFT RRHVDKHHPL SPFVILDRER CIHCKRCVRY FEEVPGDEVL DATA SEQUENCE DFIERGVHTF IGTMDFGLPS GFSGNITDIC PVGALLDLTA RFRARNWEME DATA SEQUENCE ETPTTCALCP VGCGITADTR SGELLRIRAR EVPEVNEIWI CDAGRFGHEW DATA SEQUENCE ADQNRLKTPL VRKEGRLVEA TWEEAFLALK EGLKEARGEE VGLYLAHDAT DATA SEQUENCE LEEGLLASEL AKALKTPHLD FQGRTAAPAS LFPPASLEDL LQADFALVLG DATA SEQUENCE DPTEEAPILH LRLSEFVRDL KPPHRYNHGT PFADLQIKER MPRRTDKMAL DATA SEQUENCE FAPYRAPLMK WAAIHEVHRP GEEREILLAL LGDKEGSEMV AKAKEAWEKA DATA SEQUENCE KNPVLILGAG VLQDTVAAER ARLLAERKGA KVLAMTPAAN ARGLEAMGVL DATA SEQUENCE PGAKGASWDE PGALYAYYGF VPPEEALKGK RFVVMHLSHL HPLAERYAHV DATA SEQUENCE VLPAPTFYEK RGHLVNLEGR VLPLSPAPIE NGEAEGALQV LALLAEALGV DATA SEQUENCE RPPFRLHLEA QKALKARKVP EAMGRLSFRL KELRPKERKG AFYLRPTMWK DATA SEQUENCE AHQAVGKAQE AARAELWAHP ETARAEALPE GAQVAVETPF GRVEARVVHR DATA SEQUENCE EDVPKGHLYL SALGPAAGLR VEGRVLV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.265 176.300 -0.058 0.000 1.140 1 M CA 0.000 55.252 55.300 -0.080 0.000 0.988 1 M CB 0.000 32.547 32.600 -0.089 0.000 1.302 2 V N 1.186 121.062 119.914 -0.064 0.000 2.628 2 V HA 0.573 4.693 4.120 -0.000 0.000 0.306 2 V C -0.461 175.614 176.094 -0.031 0.000 1.045 2 V CA -0.771 61.504 62.300 -0.042 0.000 0.905 2 V CB 2.080 33.881 31.823 -0.037 0.000 0.997 2 V HN 0.780 nan 8.190 nan 0.000 0.436 3 R N 2.425 122.912 120.500 -0.020 0.000 2.210 3 R HA 0.629 4.968 4.340 -0.000 0.000 0.338 3 R C -1.268 175.027 176.300 -0.008 0.000 1.062 3 R CA 0.036 56.129 56.100 -0.012 0.000 0.902 3 R CB 0.768 31.061 30.300 -0.013 0.000 1.050 3 R HN 0.580 nan 8.270 nan 0.000 0.461 4 V N 4.795 124.710 119.914 0.001 0.000 2.577 4 V HA 0.341 4.461 4.120 -0.000 0.000 0.303 4 V C -0.517 175.580 176.094 0.005 0.000 1.042 4 V CA -0.966 61.336 62.300 0.003 0.000 0.872 4 V CB 1.798 33.627 31.823 0.010 0.000 0.998 4 V HN 0.632 nan 8.190 nan 0.000 0.423 5 K N 3.441 123.837 120.400 -0.007 0.000 2.253 5 K HA 0.568 4.888 4.320 -0.000 0.000 0.277 5 K C 0.120 176.697 176.600 -0.039 0.000 1.053 5 K CA -0.368 55.908 56.287 -0.017 0.000 0.892 5 K CB 1.708 34.198 32.500 -0.016 0.000 1.102 5 K HN 0.484 nan 8.250 nan 0.000 0.469 6 V N 4.091 123.952 119.914 -0.087 0.000 2.298 6 V HA -0.152 3.968 4.120 -0.000 0.000 0.226 6 V C 1.509 177.465 176.094 -0.230 0.000 1.053 6 V CA 1.200 63.388 62.300 -0.185 0.000 1.029 6 V CB -0.271 31.370 31.823 -0.303 0.000 0.659 6 V HN 0.838 nan 8.190 nan 0.000 0.470 7 N N -0.210 118.263 118.700 -0.377 0.000 2.724 7 N HA 0.016 4.756 4.740 -0.000 0.000 0.226 7 N C 0.976 176.431 175.510 -0.091 0.000 1.030 7 N CA 1.323 54.224 53.050 -0.249 0.000 1.038 7 N CB 0.251 38.508 38.487 -0.383 0.000 1.475 7 N HN 0.685 nan 8.380 nan 0.000 0.472 8 D N -0.996 119.363 120.400 -0.068 0.000 2.520 8 D HA 0.140 4.780 4.640 -0.000 0.000 0.223 8 D C 0.467 176.780 176.300 0.022 0.000 1.186 8 D CA -0.094 53.915 54.000 0.014 0.000 0.821 8 D CB 0.496 41.336 40.800 0.066 0.000 1.072 8 D HN -0.088 nan 8.370 nan 0.000 0.518 9 R N 0.391 120.890 120.500 -0.002 0.000 2.474 9 R HA 0.668 5.008 4.340 -0.000 0.000 0.295 9 R C -0.742 175.564 176.300 0.009 0.000 0.980 9 R CA -0.622 55.499 56.100 0.035 0.000 0.934 9 R CB 1.224 31.584 30.300 0.101 0.000 1.101 9 R HN -0.006 nan 8.270 nan 0.000 0.469 10 I N 3.636 124.223 120.570 0.028 0.000 2.441 10 I HA 0.420 4.590 4.170 -0.000 0.000 0.295 10 I C -0.783 175.364 176.117 0.050 0.000 0.994 10 I CA -0.978 60.337 61.300 0.025 0.000 1.144 10 I CB 1.988 39.999 38.000 0.017 0.000 1.314 10 I HN 0.218 nan 8.210 nan 0.000 0.445 11 V N 3.979 123.929 119.914 0.060 0.000 2.808 11 V HA 0.363 4.483 4.120 -0.000 0.000 0.308 11 V C -0.319 175.811 176.094 0.061 0.000 1.099 11 V CA -1.004 61.357 62.300 0.103 0.000 0.920 11 V CB 1.882 33.834 31.823 0.215 0.000 1.014 11 V HN 0.609 nan 8.190 nan 0.000 0.425 12 E N 1.718 121.947 120.200 0.048 0.000 2.366 12 E HA 0.605 4.955 4.350 -0.000 0.000 0.266 12 E C -0.822 175.730 176.600 -0.081 0.000 1.051 12 E CA -0.183 56.209 56.400 -0.014 0.000 0.884 12 E CB 2.386 32.075 29.700 -0.018 0.000 1.006 12 E HN 0.506 nan 8.360 nan 0.000 0.417 13 V N 3.289 123.121 119.914 -0.138 0.000 2.915 13 V HA 0.157 4.277 4.120 -0.000 0.000 0.282 13 V C -2.625 173.330 176.094 -0.231 0.000 1.445 13 V CA -1.613 60.542 62.300 -0.242 0.000 0.953 13 V CB 2.383 34.112 31.823 -0.156 0.000 1.140 13 V HN 0.479 nan 8.190 nan 0.000 0.440 14 P HA 0.113 nan 4.420 nan 0.000 0.269 14 P C -2.214 174.978 177.300 -0.179 0.000 1.205 14 P CA -0.413 62.461 63.100 -0.376 0.000 0.780 14 P CB 0.000 31.173 31.700 -0.879 0.000 0.858 15 P HA -0.125 nan 4.420 nan 0.000 0.215 15 P C 1.147 178.447 177.300 -0.001 0.000 1.157 15 P CA 1.790 64.868 63.100 -0.037 0.000 0.863 15 P CB -0.424 31.267 31.700 -0.016 0.000 0.787 16 G N -0.011 108.804 108.800 0.025 0.000 3.639 16 G HA2 0.151 4.111 3.960 -0.000 0.000 0.279 16 G HA3 0.151 4.111 3.960 -0.000 0.000 0.279 16 G C -0.020 174.934 174.900 0.091 0.000 1.312 16 G CA -0.015 45.122 45.100 0.061 0.000 1.355 16 G HN 0.142 nan 8.290 nan 0.000 0.595 17 T N 0.129 114.730 114.554 0.078 0.000 2.909 17 T HA 0.397 4.747 4.350 -0.000 0.000 0.286 17 T C 0.538 175.290 174.700 0.087 0.000 1.002 17 T CA -0.091 62.089 62.100 0.134 0.000 1.074 17 T CB 1.585 70.548 68.868 0.159 0.000 0.984 17 T HN 0.154 nan 8.240 nan 0.000 0.495 18 S N 1.515 117.258 115.700 0.073 0.000 2.528 18 S HA 0.132 4.602 4.470 -0.000 0.000 0.277 18 S C 1.605 176.225 174.600 0.033 0.000 1.297 18 S CA -0.766 57.461 58.200 0.045 0.000 1.052 18 S CB 0.385 63.608 63.200 0.038 0.000 0.917 18 S HN 0.491 nan 8.310 nan 0.000 0.492 19 V N 6.834 126.761 119.914 0.022 0.000 2.453 19 V HA -0.250 3.870 4.120 -0.000 0.000 0.252 19 V C 2.222 178.301 176.094 -0.025 0.000 1.068 19 V CA 2.484 64.785 62.300 0.002 0.000 1.070 19 V CB -0.822 30.996 31.823 -0.008 0.000 0.664 19 V HN 0.962 nan 8.190 nan 0.000 0.461 20 M N 0.452 120.041 119.600 -0.018 0.000 2.126 20 M HA -0.257 4.223 4.480 -0.000 0.000 0.259 20 M C 1.917 178.188 176.300 -0.049 0.000 1.073 20 M CA 2.699 57.972 55.300 -0.046 0.000 1.103 20 M CB -0.484 32.154 32.600 0.063 0.000 1.284 20 M HN 0.335 nan 8.290 nan 0.000 0.420 21 D N 0.619 121.022 120.400 0.005 0.000 2.228 21 D HA -0.166 4.474 4.640 -0.000 0.000 0.203 21 D C 1.841 178.219 176.300 0.129 0.000 0.988 21 D CA 1.473 55.468 54.000 -0.009 0.000 0.864 21 D CB -0.196 40.382 40.800 -0.370 0.000 0.928 21 D HN 0.529 nan 8.370 nan 0.000 0.469 22 A N 0.386 123.261 122.820 0.092 0.000 1.841 22 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 22 A C 2.430 180.086 177.584 0.121 0.000 1.199 22 A CA 1.457 53.574 52.037 0.133 0.000 0.621 22 A CB -1.076 17.960 19.000 0.059 0.000 0.835 22 A HN 0.129 nan 8.150 nan 0.000 0.445 23 V N -1.028 118.870 119.914 -0.026 0.000 2.250 23 V HA -0.320 3.799 4.120 -0.000 0.000 0.250 23 V C 2.401 178.460 176.094 -0.059 0.000 1.060 23 V CA 2.542 64.774 62.300 -0.113 0.000 1.030 23 V CB -1.067 30.584 31.823 -0.286 0.000 0.643 23 V HN 0.541 nan 8.190 nan 0.000 0.445 24 F N -0.189 119.695 119.950 -0.111 0.000 2.171 24 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 24 F C 2.399 178.154 175.800 -0.076 0.000 1.090 24 F CA 1.879 59.673 58.000 -0.342 0.000 1.293 24 F CB -0.968 37.354 39.000 -1.131 0.000 1.013 24 F HN 0.308 nan 8.300 nan 0.000 0.486 25 H N -0.190 119.079 119.070 0.331 0.000 2.353 25 H HA -0.039 4.517 4.556 -0.000 0.000 0.300 25 H C 2.141 177.624 175.328 0.258 0.000 1.090 25 H CA 1.523 57.830 56.048 0.431 0.000 1.327 25 H CB -0.167 29.850 29.762 0.425 0.000 1.383 25 H HN 0.097 nan 8.280 nan 0.000 0.508 26 A N -0.352 122.610 122.820 0.238 0.000 2.121 26 A HA 0.155 4.475 4.320 -0.000 0.000 0.218 26 A C 1.817 179.534 177.584 0.222 0.000 1.154 26 A CA 1.101 53.241 52.037 0.172 0.000 0.679 26 A CB -0.836 18.255 19.000 0.153 0.000 0.795 26 A HN 0.896 nan 8.150 nan 0.000 0.458 27 G N -2.908 106.027 108.800 0.225 0.000 2.270 27 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.224 27 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.224 27 G C -0.132 174.849 174.900 0.136 0.000 1.079 27 G CA 0.280 45.474 45.100 0.157 0.000 0.807 27 G HN 0.377 nan 8.290 nan 0.000 0.492 28 Y N 0.478 120.795 120.300 0.029 0.000 3.303 28 Y HA 0.715 5.265 4.550 -0.000 0.000 0.326 28 Y C 0.604 176.504 175.900 0.000 0.000 1.476 28 Y CA 0.062 58.160 58.100 -0.004 0.000 0.816 28 Y CB 0.875 39.301 38.460 -0.057 0.000 1.213 28 Y HN 0.418 nan 8.280 nan 0.000 0.806 29 D N -0.830 119.591 120.400 0.034 0.000 2.720 29 D HA 0.445 5.085 4.640 -0.000 0.000 0.239 29 D C -1.853 174.390 176.300 -0.095 0.000 1.218 29 D CA -0.372 53.636 54.000 0.014 0.000 0.748 29 D CB 1.377 42.360 40.800 0.306 0.000 1.387 29 D HN 0.454 nan 8.370 nan 0.000 0.438 30 V N 0.248 120.104 119.914 -0.097 0.000 3.098 30 V HA 0.491 4.611 4.120 -0.000 0.000 0.294 30 V C -2.870 173.155 176.094 -0.114 0.000 1.351 30 V CA -1.520 60.656 62.300 -0.206 0.000 0.999 30 V CB 2.522 34.168 31.823 -0.295 0.000 1.104 30 V HN 0.477 nan 8.190 nan 0.000 0.438 31 P HA 0.219 nan 4.420 nan 0.000 0.262 31 P C -1.198 176.051 177.300 -0.086 0.000 1.199 31 P CA 0.201 63.114 63.100 -0.311 0.000 0.763 31 P CB 0.215 31.550 31.700 -0.608 0.000 0.790 32 L N 5.481 126.797 121.223 0.155 0.000 2.372 32 L HA 0.351 4.690 4.340 -0.000 0.000 0.273 32 L C -0.902 176.266 176.870 0.497 0.000 0.989 32 L CA -0.281 54.723 54.840 0.274 0.000 0.841 32 L CB 0.893 43.170 42.059 0.363 0.000 1.225 32 L HN 0.280 nan 8.230 nan 0.000 0.414 33 F N 2.944 122.931 119.950 0.062 0.000 2.640 33 F HA 0.084 4.611 4.527 -0.000 0.000 0.285 33 F C 1.979 177.814 175.800 0.058 0.000 1.031 33 F CA 0.582 58.615 58.000 0.054 0.000 1.240 33 F CB -0.027 39.005 39.000 0.052 0.000 1.011 33 F HN 0.684 nan 8.300 nan 0.000 0.656 34 C N -1.847 117.610 119.300 0.262 0.000 2.820 34 C HA 0.404 4.864 4.460 -0.000 0.000 0.323 34 C C 1.237 176.311 174.990 0.141 0.000 1.279 34 C CA -0.305 58.822 59.018 0.181 0.000 1.790 34 C CB -0.859 26.987 27.740 0.177 0.000 2.328 34 C HN 0.077 nan 8.230 nan 0.000 0.579 35 S N 1.700 117.482 115.700 0.137 0.000 2.593 35 S HA 0.507 4.977 4.470 -0.000 0.000 0.269 35 S C -0.507 174.133 174.600 0.067 0.000 1.334 35 S CA 0.313 58.582 58.200 0.116 0.000 1.015 35 S CB 0.788 64.073 63.200 0.141 0.000 0.912 35 S HN 0.760 nan 8.310 nan 0.000 0.541 36 E N 0.234 120.468 120.200 0.056 0.000 2.378 36 E HA 0.242 4.592 4.350 -0.000 0.000 0.283 36 E C -1.743 174.873 176.600 0.026 0.000 0.979 36 E CA -0.547 55.854 56.400 0.002 0.000 0.795 36 E CB 0.781 30.522 29.700 0.068 0.000 1.221 36 E HN 0.401 nan 8.360 nan 0.000 0.428 37 K N 2.722 123.087 120.400 -0.058 0.000 2.440 37 K HA 0.021 4.341 4.320 -0.000 0.000 0.275 37 K C -0.470 176.224 176.600 0.157 0.000 1.082 37 K CA 1.133 57.404 56.287 -0.027 0.000 1.135 37 K CB -0.257 32.226 32.500 -0.029 0.000 0.864 37 K HN 0.712 nan 8.250 nan 0.000 0.479 38 H N -0.895 118.248 119.070 0.122 0.000 3.636 38 H HA -0.166 4.390 4.556 -0.000 0.000 0.179 38 H C -0.752 174.727 175.328 0.251 0.000 0.968 38 H CA 0.819 56.994 56.048 0.211 0.000 1.220 38 H CB -1.352 28.593 29.762 0.305 0.000 1.023 38 H HN 0.367 nan 8.280 nan 0.000 0.366 39 L N 0.953 122.344 121.223 0.280 0.000 2.342 39 L HA 0.460 4.800 4.340 -0.000 0.000 0.271 39 L C 0.416 177.373 176.870 0.144 0.000 1.008 39 L CA -0.765 54.208 54.840 0.221 0.000 0.818 39 L CB 1.770 43.970 42.059 0.234 0.000 1.296 39 L HN 0.214 nan 8.230 nan 0.000 0.427 40 S N 2.004 117.773 115.700 0.114 0.000 2.596 40 S HA 0.118 4.588 4.470 -0.000 0.000 0.298 40 S C -2.291 172.365 174.600 0.093 0.000 1.255 40 S CA -0.997 57.255 58.200 0.088 0.000 1.083 40 S CB -0.383 62.857 63.200 0.067 0.000 0.837 40 S HN 0.343 nan 8.310 nan 0.000 0.499 41 P HA 0.375 nan 4.420 nan 0.000 0.271 41 P C -0.738 176.608 177.300 0.077 0.000 1.216 41 P CA -0.372 62.781 63.100 0.088 0.000 0.771 41 P CB 0.369 32.119 31.700 0.084 0.000 0.864 42 I N 0.346 120.965 120.570 0.081 0.000 2.865 42 I HA 0.495 4.665 4.170 -0.000 0.000 0.302 42 I C 0.789 176.946 176.117 0.066 0.000 1.140 42 I CA -0.956 60.385 61.300 0.069 0.000 1.021 42 I CB 1.702 39.748 38.000 0.076 0.000 1.233 42 I HN 0.248 nan 8.210 nan 0.000 0.427 43 G N 2.227 111.056 108.800 0.047 0.000 3.064 43 G HA2 0.497 4.457 3.960 -0.000 0.000 0.286 43 G HA3 0.497 4.457 3.960 -0.000 0.000 0.286 43 G C 0.509 175.430 174.900 0.035 0.000 0.834 43 G CA 0.314 45.437 45.100 0.037 0.000 1.856 43 G HN 0.911 nan 8.290 nan 0.000 0.559 44 A N 1.457 124.311 122.820 0.056 0.000 1.878 44 A HA 0.026 4.346 4.320 -0.000 0.000 0.215 44 A C 2.650 180.260 177.584 0.044 0.000 1.310 44 A CA 1.513 53.583 52.037 0.055 0.000 0.612 44 A CB -0.888 18.168 19.000 0.094 0.000 0.989 44 A HN 1.045 nan 8.150 nan 0.000 0.472 45 C N -2.571 116.777 119.300 0.080 0.000 2.440 45 C HA 0.281 4.741 4.460 -0.000 0.000 0.278 45 C C 1.314 176.316 174.990 0.019 0.000 1.295 45 C CA 0.445 59.512 59.018 0.082 0.000 1.738 45 C CB -1.123 26.719 27.740 0.170 0.000 1.987 45 C HN 0.628 nan 8.230 nan 0.000 0.492 46 R N -0.951 119.549 120.500 0.000 0.000 3.493 46 R HA -0.126 4.214 4.340 -0.000 0.000 0.297 46 R C 0.617 176.866 176.300 -0.085 0.000 1.145 46 R CA 0.871 56.950 56.100 -0.034 0.000 0.792 46 R CB -1.959 28.324 30.300 -0.028 0.000 1.368 46 R HN 0.519 nan 8.270 nan 0.000 0.454 47 M N -0.546 118.980 119.600 -0.124 0.000 2.325 47 M HA 0.006 4.486 4.480 -0.000 0.000 0.265 47 M C 2.113 178.285 176.300 -0.214 0.000 1.094 47 M CA 1.453 56.613 55.300 -0.234 0.000 1.161 47 M CB -0.456 31.905 32.600 -0.397 0.000 1.358 47 M HN 0.463 nan 8.290 nan 0.000 0.446 48 C N 1.653 120.873 119.300 -0.133 0.000 2.327 48 C HA 0.432 4.892 4.460 -0.000 0.000 0.401 48 C C 0.930 175.847 174.990 -0.122 0.000 1.297 48 C CA -1.285 57.658 59.018 -0.124 0.000 1.628 48 C CB -2.494 25.221 27.740 -0.041 0.000 1.787 48 C HN 0.212 nan 8.230 nan 0.000 0.590 49 L N 1.746 122.885 121.223 -0.139 0.000 2.483 49 L HA 0.461 4.801 4.340 -0.000 0.000 0.276 49 L C 0.572 177.362 176.870 -0.132 0.000 1.213 49 L CA 0.358 55.127 54.840 -0.120 0.000 0.843 49 L CB 0.703 42.690 42.059 -0.120 0.000 1.107 49 L HN 0.519 nan 8.230 nan 0.000 0.487 50 V N 0.663 120.509 119.914 -0.112 0.000 3.181 50 V HA 0.634 4.753 4.120 -0.000 0.000 0.307 50 V C -0.846 175.177 176.094 -0.118 0.000 1.310 50 V CA -1.138 61.091 62.300 -0.119 0.000 1.067 50 V CB 2.040 33.800 31.823 -0.104 0.000 1.081 50 V HN 0.824 nan 8.190 nan 0.000 0.453 51 R N 0.354 120.766 120.500 -0.146 0.000 2.732 51 R HA 0.832 5.172 4.340 -0.000 0.000 0.278 51 R C -1.622 174.640 176.300 -0.063 0.000 0.976 51 R CA -0.841 55.151 56.100 -0.181 0.000 0.963 51 R CB 1.787 31.850 30.300 -0.394 0.000 1.150 51 R HN 0.880 nan 8.270 nan 0.000 0.478 52 I N 1.854 122.466 120.570 0.070 0.000 2.619 52 I HA 0.393 4.563 4.170 -0.000 0.000 0.292 52 I C -0.163 176.237 176.117 0.472 0.000 1.100 52 I CA -0.928 60.510 61.300 0.231 0.000 1.043 52 I CB 2.412 40.477 38.000 0.108 0.000 1.239 52 I HN 0.798 nan 8.210 nan 0.000 0.420 53 G N 4.726 113.800 108.800 0.457 0.000 2.448 53 G HA2 0.687 4.647 3.960 -0.000 0.000 0.324 53 G HA3 0.687 4.647 3.960 -0.000 0.000 0.324 53 G C -1.365 173.519 174.900 -0.027 0.000 1.203 53 G CA -0.320 44.831 45.100 0.085 0.000 0.954 53 G HN 0.430 nan 8.290 nan 0.000 0.480 54 L N 2.577 123.754 121.223 -0.077 0.000 2.439 54 L HA 0.520 4.859 4.340 -0.000 0.000 0.264 54 L C -2.543 174.285 176.870 -0.069 0.000 1.531 54 L CA -0.771 54.038 54.840 -0.052 0.000 0.727 54 L CB 0.969 43.023 42.059 -0.007 0.000 0.952 54 L HN 0.630 nan 8.230 nan 0.000 0.521 74 Q N 4.947 124.522 119.800 -0.377 0.000 2.309 74 Q HA 0.387 4.727 4.340 -0.000 0.000 0.270 74 Q C -1.677 174.252 176.000 -0.119 0.000 1.023 74 Q CA -0.580 55.089 55.803 -0.224 0.000 0.758 74 Q CB 2.475 31.153 28.738 -0.100 0.000 1.247 74 Q HN 0.604 nan 8.270 nan 0.000 0.455 75 W N 3.735 125.026 121.300 -0.015 0.000 2.388 75 W HA 0.135 4.795 4.660 -0.000 0.000 0.308 75 W C 0.598 177.106 176.519 -0.017 0.000 1.263 75 W CA -0.777 56.558 57.345 -0.017 0.000 1.286 75 W CB 0.825 30.275 29.460 -0.016 0.000 1.294 75 W HN 0.275 nan 8.180 nan 0.000 0.493 76 Q N 3.787 123.760 119.800 0.288 0.000 2.369 76 Q HA -0.098 4.242 4.340 -0.000 0.000 0.295 76 Q C -1.313 174.745 176.000 0.097 0.000 1.075 76 Q CA -0.172 55.715 55.803 0.140 0.000 0.941 76 Q CB 0.502 29.301 28.738 0.103 0.000 1.260 76 Q HN 0.328 nan 8.270 nan 0.000 0.417 77 P HA -0.086 nan 4.420 nan 0.000 0.215 77 P C -0.398 176.903 177.300 0.000 0.000 1.157 77 P CA 1.349 64.467 63.100 0.030 0.000 0.856 77 P CB 0.303 32.017 31.700 0.023 0.000 0.786 78 K N -0.058 120.340 120.400 -0.004 0.000 2.156 78 K HA 0.482 4.802 4.320 -0.000 0.000 0.254 78 K C -0.338 176.243 176.600 -0.032 0.000 0.950 78 K CA -0.983 55.291 56.287 -0.023 0.000 0.849 78 K CB 1.358 33.847 32.500 -0.019 0.000 1.100 78 K HN -0.135 nan 8.250 nan 0.000 0.434 79 L N 1.530 122.721 121.223 -0.054 0.000 2.483 79 L HA 0.190 4.530 4.340 -0.000 0.000 0.275 79 L C 0.350 177.191 176.870 -0.048 0.000 1.220 79 L CA -0.099 54.700 54.840 -0.067 0.000 0.833 79 L CB 0.514 42.520 42.059 -0.087 0.000 1.102 79 L HN 0.861 nan 8.230 nan 0.000 0.490 80 A N 1.699 124.490 122.820 -0.047 0.000 2.330 80 A HA 0.801 5.121 4.320 -0.000 0.000 0.329 80 A C -0.306 177.254 177.584 -0.038 0.000 1.135 80 A CA -0.541 51.477 52.037 -0.032 0.000 0.817 80 A CB 1.377 20.367 19.000 -0.017 0.000 1.269 80 A HN 0.749 nan 8.150 nan 0.000 0.469 81 A N 1.286 124.091 122.820 -0.025 0.000 2.539 81 A HA 0.458 4.778 4.320 -0.000 0.000 0.306 81 A C 1.357 178.934 177.584 -0.013 0.000 1.392 81 A CA 0.297 52.322 52.037 -0.021 0.000 1.060 81 A CB -0.740 18.256 19.000 -0.006 0.000 1.134 81 A HN 1.890 nan 8.150 nan 0.000 0.542 82 S N 1.266 116.948 115.700 -0.030 0.000 2.462 82 S HA -0.244 4.226 4.470 -0.000 0.000 0.243 82 S C 1.621 176.225 174.600 0.006 0.000 1.003 82 S CA 1.671 59.855 58.200 -0.026 0.000 0.970 82 S CB -1.336 61.825 63.200 -0.065 0.000 0.762 82 S HN 1.403 nan 8.310 nan 0.000 0.510 83 C N 0.188 119.504 119.300 0.027 0.000 2.594 83 C HA 0.558 5.018 4.460 -0.000 0.000 0.265 83 C C 1.880 176.904 174.990 0.056 0.000 1.351 83 C CA 0.050 59.105 59.018 0.063 0.000 1.744 83 C CB -1.196 26.598 27.740 0.090 0.000 1.890 83 C HN 0.682 nan 8.230 nan 0.000 0.551 84 V N -1.886 118.051 119.914 0.038 0.000 3.398 84 V HA 0.322 4.442 4.120 -0.000 0.000 0.298 84 V C 0.210 176.320 176.094 0.028 0.000 1.496 84 V CA 0.463 62.785 62.300 0.037 0.000 1.044 84 V CB -0.701 31.143 31.823 0.035 0.000 0.880 84 V HN 0.438 nan 8.190 nan 0.000 0.443 85 T N 2.424 116.991 114.554 0.021 0.000 2.806 85 T HA 0.823 5.173 4.350 -0.000 0.000 0.290 85 T C 0.287 175.000 174.700 0.022 0.000 0.966 85 T CA 0.451 62.562 62.100 0.018 0.000 1.060 85 T CB 1.561 70.436 68.868 0.010 0.000 0.927 85 T HN 0.763 nan 8.240 nan 0.000 0.485 86 A N 2.863 125.697 122.820 0.023 0.000 2.304 86 A HA 0.654 4.974 4.320 -0.000 0.000 0.271 86 A C 0.707 178.303 177.584 0.021 0.000 1.091 86 A CA -0.813 51.240 52.037 0.027 0.000 0.812 86 A CB 0.142 19.158 19.000 0.027 0.000 1.056 86 A HN 1.060 nan 8.150 nan 0.000 0.489 87 V N -1.078 118.849 119.914 0.023 0.000 2.732 87 V HA 0.736 4.856 4.120 -0.000 0.000 0.297 87 V C 0.343 176.442 176.094 0.008 0.000 1.060 87 V CA -0.087 62.222 62.300 0.015 0.000 1.038 87 V CB 0.561 32.394 31.823 0.017 0.000 1.003 87 V HN 1.588 nan 8.190 nan 0.000 0.481 88 A N 2.429 125.252 122.820 0.004 0.000 2.423 88 A HA 0.554 4.874 4.320 -0.000 0.000 0.304 88 A C -0.327 177.253 177.584 -0.007 0.000 1.104 88 A CA -0.758 51.278 52.037 -0.002 0.000 0.757 88 A CB 1.241 20.241 19.000 -0.000 0.000 1.313 88 A HN 0.932 nan 8.150 nan 0.000 0.423 89 D N 0.613 121.006 120.400 -0.012 0.000 2.493 89 D HA 0.347 4.987 4.640 -0.000 0.000 0.240 89 D C 1.169 177.459 176.300 -0.018 0.000 1.142 89 D CA 2.225 56.216 54.000 -0.016 0.000 0.872 89 D CB 0.519 41.309 40.800 -0.017 0.000 1.173 89 D HN 1.389 nan 8.370 nan 0.000 0.467 90 G N 3.554 112.342 108.800 -0.019 0.000 2.324 90 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.292 90 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.292 90 G C 0.127 175.010 174.900 -0.029 0.000 1.079 90 G CA 0.517 45.601 45.100 -0.026 0.000 1.026 90 G HN 0.543 nan 8.290 nan 0.000 0.506 91 M N 0.700 120.290 119.600 -0.017 0.000 2.227 91 M HA 0.671 5.151 4.480 -0.000 0.000 0.335 91 M C -0.335 175.967 176.300 0.003 0.000 1.053 91 M CA -0.809 54.487 55.300 -0.007 0.000 0.973 91 M CB 1.804 34.407 32.600 0.005 0.000 1.623 91 M HN -0.020 nan 8.290 nan 0.000 0.434 92 V N 5.550 125.475 119.914 0.018 0.000 2.481 92 V HA 0.455 4.575 4.120 -0.000 0.000 0.286 92 V C -0.622 175.557 176.094 0.141 0.000 1.042 92 V CA -0.519 61.820 62.300 0.065 0.000 0.928 92 V CB 1.780 33.639 31.823 0.060 0.000 0.986 92 V HN 0.697 nan 8.190 nan 0.000 0.462 93 V N 4.033 123.995 119.914 0.080 0.000 2.340 93 V HA 0.258 4.378 4.120 -0.000 0.000 0.277 93 V C -0.397 175.687 176.094 -0.017 0.000 1.017 93 V CA -0.772 61.549 62.300 0.035 0.000 0.820 93 V CB 1.447 33.252 31.823 -0.029 0.000 1.028 93 V HN 0.986 nan 8.190 nan 0.000 0.436 94 D N 3.196 123.587 120.400 -0.016 0.000 2.343 94 D HA 0.242 4.882 4.640 -0.000 0.000 0.255 94 D C 1.053 177.281 176.300 -0.121 0.000 1.187 94 D CA 0.315 54.260 54.000 -0.091 0.000 0.875 94 D CB 1.665 42.342 40.800 -0.204 0.000 1.136 94 D HN 0.622 nan 8.370 nan 0.000 0.469 95 T N 1.417 115.914 114.554 -0.094 0.000 3.182 95 T HA 0.211 4.560 4.350 -0.000 0.000 0.277 95 T C 0.701 175.403 174.700 0.003 0.000 1.013 95 T CA -0.306 61.756 62.100 -0.063 0.000 0.900 95 T CB -0.183 68.653 68.868 -0.054 0.000 1.098 95 T HN 0.331 nan 8.240 nan 0.000 0.543 96 L N 0.143 121.364 121.223 -0.004 0.000 2.948 96 L HA 0.474 4.814 4.340 -0.000 0.000 0.259 96 L C 1.084 177.962 176.870 0.014 0.000 1.136 96 L CA -0.075 54.789 54.840 0.039 0.000 0.959 96 L CB 0.254 42.360 42.059 0.078 0.000 1.370 96 L HN 0.108 nan 8.230 nan 0.000 0.552 97 S N 0.926 116.601 115.700 -0.042 0.000 2.553 97 S HA -0.127 4.343 4.470 -0.000 0.000 0.293 97 S C 0.966 175.554 174.600 -0.020 0.000 1.296 97 S CA 0.024 58.189 58.200 -0.059 0.000 1.046 97 S CB 0.306 63.411 63.200 -0.158 0.000 0.810 97 S HN 0.272 nan 8.310 nan 0.000 0.505 98 D N 2.103 122.515 120.400 0.020 0.000 2.133 98 D HA -0.133 4.507 4.640 -0.000 0.000 0.195 98 D C 2.064 178.344 176.300 -0.034 0.000 0.997 98 D CA 1.293 55.344 54.000 0.085 0.000 0.840 98 D CB -0.287 40.597 40.800 0.140 0.000 0.947 98 D HN 0.407 nan 8.370 nan 0.000 0.452 99 V N 1.055 120.919 119.914 -0.083 0.000 2.324 99 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 99 V C 2.694 178.686 176.094 -0.169 0.000 1.060 99 V CA 1.202 63.418 62.300 -0.140 0.000 1.042 99 V CB -0.768 30.962 31.823 -0.156 0.000 0.650 99 V HN 0.049 nan 8.190 nan 0.000 0.450 100 V N -0.548 119.278 119.914 -0.147 0.000 2.283 100 V HA -0.184 3.936 4.120 -0.000 0.000 0.243 100 V C 2.650 178.663 176.094 -0.135 0.000 1.039 100 V CA 2.006 64.220 62.300 -0.143 0.000 1.016 100 V CB -0.665 31.083 31.823 -0.125 0.000 0.650 100 V HN 0.394 nan 8.190 nan 0.000 0.449 101 R N -0.153 120.303 120.500 -0.074 0.000 2.094 101 R HA -0.269 4.071 4.340 -0.000 0.000 0.239 101 R C 2.403 178.578 176.300 -0.209 0.000 1.137 101 R CA 2.196 58.283 56.100 -0.022 0.000 0.943 101 R CB -0.429 29.963 30.300 0.154 0.000 0.850 101 R HN 0.680 nan 8.270 nan 0.000 0.433 102 E N 0.109 120.003 120.200 -0.510 0.000 2.187 102 E HA -0.243 4.107 4.350 -0.000 0.000 0.199 102 E C 1.686 178.009 176.600 -0.462 0.000 1.004 102 E CA 1.546 57.386 56.400 -0.935 0.000 0.813 102 E CB -0.037 29.075 29.700 -0.981 0.000 0.736 102 E HN 0.420 nan 8.360 nan 0.000 0.468 103 A N 0.481 123.123 122.820 -0.298 0.000 1.874 103 A HA -0.168 4.151 4.320 -0.000 0.000 0.214 103 A C 2.091 179.564 177.584 -0.185 0.000 1.189 103 A CA 1.354 53.266 52.037 -0.208 0.000 0.615 103 A CB -0.427 18.474 19.000 -0.164 0.000 0.830 103 A HN 0.358 nan 8.150 nan 0.000 0.443 104 Q N -0.136 119.555 119.800 -0.183 0.000 2.050 104 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 104 Q C 2.408 178.321 176.000 -0.146 0.000 0.980 104 Q CA 1.368 57.060 55.803 -0.185 0.000 0.840 104 Q CB -0.514 28.091 28.738 -0.221 0.000 0.898 104 Q HN 0.631 nan 8.270 nan 0.000 0.424 105 A N 1.597 124.347 122.820 -0.117 0.000 1.884 105 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 105 A C 2.376 179.863 177.584 -0.162 0.000 1.197 105 A CA 2.069 54.055 52.037 -0.085 0.000 0.637 105 A CB -1.578 17.383 19.000 -0.066 0.000 0.827 105 A HN 0.510 nan 8.150 nan 0.000 0.450 106 G N -1.490 107.166 108.800 -0.241 0.000 2.418 106 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 106 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 106 G C 1.506 176.154 174.900 -0.419 0.000 1.158 106 G CA 1.536 46.403 45.100 -0.387 0.000 0.771 106 G HN 0.390 nan 8.290 nan 0.000 0.545 107 M N 0.369 119.859 119.600 -0.184 0.000 2.117 107 M HA 0.009 4.489 4.480 -0.000 0.000 0.262 107 M C 2.587 178.858 176.300 -0.048 0.000 1.065 107 M CA 0.890 56.175 55.300 -0.025 0.000 1.114 107 M CB -0.426 32.135 32.600 -0.065 0.000 1.361 107 M HN 0.056 nan 8.290 nan 0.000 0.408 108 V N -0.077 119.768 119.914 -0.114 0.000 2.295 108 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 108 V C 2.266 178.342 176.094 -0.029 0.000 1.049 108 V CA 2.248 64.508 62.300 -0.065 0.000 1.024 108 V CB -0.923 30.876 31.823 -0.039 0.000 0.648 108 V HN 0.626 nan 8.190 nan 0.000 0.447 109 E N -0.127 120.000 120.200 -0.121 0.000 2.130 109 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 109 E C 2.008 178.571 176.600 -0.061 0.000 0.998 109 E CA 1.903 58.222 56.400 -0.135 0.000 0.806 109 E CB -0.247 29.277 29.700 -0.293 0.000 0.738 109 E HN 0.512 nan 8.360 nan 0.000 0.459 110 F N 0.923 120.856 119.950 -0.028 0.000 2.146 110 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 110 F C 2.563 178.353 175.800 -0.016 0.000 1.096 110 F CA 1.500 59.468 58.000 -0.053 0.000 1.275 110 F CB -1.010 37.949 39.000 -0.069 0.000 1.008 110 F HN 0.044 nan 8.300 nan 0.000 0.480 111 T N 0.693 115.372 114.554 0.209 0.000 2.720 111 T HA -0.142 4.207 4.350 -0.000 0.000 0.268 111 T C 2.196 176.987 174.700 0.151 0.000 1.037 111 T CA 1.140 63.352 62.100 0.187 0.000 1.144 111 T CB -0.417 68.593 68.868 0.237 0.000 0.864 111 T HN 0.156 nan 8.240 nan 0.000 0.444 112 L N 0.483 121.782 121.223 0.127 0.000 2.313 112 L HA 0.126 4.465 4.340 -0.000 0.000 0.214 112 L C 2.353 179.342 176.870 0.199 0.000 1.119 112 L CA 0.266 55.186 54.840 0.134 0.000 0.809 112 L CB -0.634 41.497 42.059 0.120 0.000 0.933 112 L HN 0.237 nan 8.230 nan 0.000 0.449 113 L N 0.580 121.900 121.223 0.161 0.000 2.064 113 L HA -0.283 4.057 4.340 -0.000 0.000 0.216 113 L C 1.824 178.814 176.870 0.199 0.000 1.077 113 L CA 1.966 56.876 54.840 0.118 0.000 0.766 113 L CB -0.336 41.670 42.059 -0.088 0.000 0.890 113 L HN 0.311 nan 8.230 nan 0.000 0.435 114 N N -2.410 116.393 118.700 0.173 0.000 2.184 114 N HA 0.019 4.759 4.740 -0.000 0.000 0.206 114 N C -0.135 175.505 175.510 0.216 0.000 1.151 114 N CA -0.085 53.081 53.050 0.194 0.000 0.878 114 N CB -0.050 38.502 38.487 0.108 0.000 1.014 114 N HN 0.448 nan 8.380 nan 0.000 0.512 115 H N 1.669 120.820 119.070 0.135 0.000 2.822 115 H HA 0.086 4.642 4.556 -0.000 0.000 0.373 115 H C -1.257 174.141 175.328 0.118 0.000 1.223 115 H CA -0.343 55.777 56.048 0.119 0.000 1.436 115 H CB 0.982 30.819 29.762 0.125 0.000 1.439 115 H HN 0.020 nan 8.280 nan 0.000 0.618 116 P HA 0.096 nan 4.420 nan 0.000 0.257 116 P C -0.342 176.971 177.300 0.021 0.000 1.241 116 P CA 0.311 63.371 63.100 -0.068 0.000 0.816 116 P CB 0.839 32.459 31.700 -0.134 0.000 1.150 117 L N -0.063 121.200 121.223 0.066 0.000 3.600 117 L HA -0.156 4.184 4.340 -0.000 0.000 0.424 117 L C 0.155 177.071 176.870 0.077 0.000 1.260 117 L CA 0.103 55.003 54.840 0.101 0.000 0.883 117 L CB -1.782 40.332 42.059 0.092 0.000 1.895 117 L HN -0.009 nan 8.230 nan 0.000 0.827 118 D N -1.447 118.996 120.400 0.072 0.000 2.388 118 D HA 0.104 4.744 4.640 -0.000 0.000 0.208 118 D C 1.798 178.146 176.300 0.080 0.000 1.035 118 D CA 0.749 54.790 54.000 0.068 0.000 0.875 118 D CB 0.102 40.938 40.800 0.059 0.000 0.984 118 D HN 0.517 nan 8.370 nan 0.000 0.508 119 C N 2.049 121.413 119.300 0.106 0.000 2.224 119 C HA -0.252 4.208 4.460 -0.000 0.000 0.250 119 C C -0.075 174.966 174.990 0.086 0.000 1.070 119 C CA 1.700 60.784 59.018 0.110 0.000 1.821 119 C CB -1.920 25.889 27.740 0.116 0.000 1.845 119 C HN 0.361 nan 8.230 nan 0.000 0.397 120 P HA -0.133 nan 4.420 nan 0.000 0.216 120 P C 1.333 178.637 177.300 0.007 0.000 1.150 120 P CA 2.490 65.621 63.100 0.051 0.000 0.843 120 P CB -0.370 31.351 31.700 0.035 0.000 0.787 121 T N -1.582 112.971 114.554 -0.001 0.000 3.067 121 T HA 0.040 4.390 4.350 -0.000 0.000 0.257 121 T C 0.798 175.477 174.700 -0.035 0.000 1.105 121 T CA -0.099 61.968 62.100 -0.055 0.000 1.104 121 T CB -0.561 68.301 68.868 -0.011 0.000 0.925 121 T HN 0.120 nan 8.240 nan 0.000 0.498 122 C N 2.523 121.849 119.300 0.042 0.000 2.585 122 C HA 0.215 4.675 4.460 -0.000 0.000 0.406 122 C C 1.673 176.716 174.990 0.088 0.000 1.312 122 C CA -0.673 58.404 59.018 0.098 0.000 1.924 122 C CB -0.250 27.556 27.740 0.110 0.000 2.578 122 C HN 0.397 nan 8.230 nan 0.000 0.580 123 D N 2.178 122.670 120.400 0.153 0.000 2.392 123 D HA -0.027 4.612 4.640 -0.000 0.000 0.228 123 D C 1.740 178.092 176.300 0.086 0.000 1.003 123 D CA 0.736 54.818 54.000 0.137 0.000 0.917 123 D CB 0.086 41.041 40.800 0.259 0.000 0.890 123 D HN 0.514 nan 8.370 nan 0.000 0.532 124 K N 0.274 120.731 120.400 0.095 0.000 2.486 124 K HA 0.081 4.401 4.320 -0.000 0.000 0.194 124 K C 1.115 177.770 176.600 0.093 0.000 1.033 124 K CA 0.438 56.777 56.287 0.087 0.000 1.004 124 K CB -0.470 32.088 32.500 0.096 0.000 0.798 124 K HN 0.212 nan 8.250 nan 0.000 0.495 125 G N -0.028 108.829 108.800 0.095 0.000 2.566 125 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.308 125 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.308 125 G C 0.657 175.718 174.900 0.268 0.000 1.317 125 G CA 0.124 45.318 45.100 0.156 0.000 0.930 125 G HN 0.366 nan 8.290 nan 0.000 0.547 126 G N -0.649 108.422 108.800 0.453 0.000 3.424 126 G HA2 0.581 4.541 3.960 -0.000 0.000 0.263 126 G HA3 0.581 4.541 3.960 -0.000 0.000 0.263 126 G C 0.611 175.630 174.900 0.199 0.000 1.310 126 G CA 1.084 46.365 45.100 0.303 0.000 1.089 126 G HN 1.797 nan 8.290 nan 0.000 0.534 127 A N -0.158 122.757 122.820 0.158 0.000 2.855 127 A HA 0.468 4.788 4.320 -0.000 0.000 0.301 127 A C 0.058 177.683 177.584 0.067 0.000 1.076 127 A CA -0.456 51.640 52.037 0.099 0.000 1.004 127 A CB -0.359 18.691 19.000 0.082 0.000 1.152 127 A HN 0.436 nan 8.150 nan 0.000 0.531 128 C N 0.334 119.677 119.300 0.073 0.000 2.319 128 C HA 0.503 4.963 4.460 -0.000 0.000 0.323 128 C C 1.171 176.181 174.990 0.032 0.000 1.277 128 C CA -0.371 58.676 59.018 0.047 0.000 1.517 128 C CB 0.351 28.134 27.740 0.072 0.000 2.206 128 C HN 0.757 nan 8.230 nan 0.000 0.486 129 E N 2.487 122.674 120.200 -0.021 0.000 2.265 129 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 129 E C 1.524 178.141 176.600 0.028 0.000 0.996 129 E CA 0.758 57.152 56.400 -0.009 0.000 0.832 129 E CB 0.040 29.681 29.700 -0.099 0.000 0.756 129 E HN 0.750 nan 8.360 nan 0.000 0.491 130 L N 1.438 122.615 121.223 -0.075 0.000 2.044 130 L HA -0.145 4.195 4.340 -0.000 0.000 0.205 130 L C 2.148 179.107 176.870 0.147 0.000 1.075 130 L CA 1.727 56.588 54.840 0.034 0.000 0.747 130 L CB -0.571 41.410 42.059 -0.129 0.000 0.903 130 L HN 0.001 nan 8.230 nan 0.000 0.435 131 Q N -0.291 119.565 119.800 0.094 0.000 1.985 131 Q HA -0.256 4.084 4.340 -0.000 0.000 0.207 131 Q C 1.860 177.935 176.000 0.124 0.000 0.996 131 Q CA 2.187 58.053 55.803 0.105 0.000 0.851 131 Q CB -0.344 28.451 28.738 0.095 0.000 0.921 131 Q HN 0.508 nan 8.270 nan 0.000 0.418 132 D N 0.127 120.600 120.400 0.121 0.000 2.127 132 D HA -0.192 4.448 4.640 -0.000 0.000 0.190 132 D C 1.941 178.334 176.300 0.155 0.000 1.000 132 D CA 1.420 55.490 54.000 0.117 0.000 0.839 132 D CB -0.235 40.633 40.800 0.112 0.000 0.955 132 D HN 0.039 nan 8.370 nan 0.000 0.446 133 R N -0.160 120.494 120.500 0.257 0.000 2.127 133 R HA -0.045 4.295 4.340 -0.000 0.000 0.238 133 R C 2.339 178.788 176.300 0.250 0.000 1.134 133 R CA 1.346 57.642 56.100 0.327 0.000 0.975 133 R CB -0.652 29.889 30.300 0.403 0.000 0.865 133 R HN 0.155 nan 8.270 nan 0.000 0.447 134 T N -0.317 114.360 114.554 0.204 0.000 2.652 134 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 134 T C 1.782 176.548 174.700 0.111 0.000 1.039 134 T CA 1.611 63.800 62.100 0.147 0.000 1.153 134 T CB -0.246 68.701 68.868 0.132 0.000 0.863 134 T HN -0.003 nan 8.240 nan 0.000 0.428 135 V N 1.198 121.166 119.914 0.091 0.000 2.358 135 V HA -0.135 3.985 4.120 -0.000 0.000 0.246 135 V C 2.484 178.575 176.094 -0.004 0.000 1.047 135 V CA 1.635 63.964 62.300 0.048 0.000 1.035 135 V CB -0.519 31.327 31.823 0.038 0.000 0.658 135 V HN 0.541 nan 8.190 nan 0.000 0.452 136 E N -0.905 119.277 120.200 -0.030 0.000 2.038 136 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 136 E C 1.933 178.315 176.600 -0.364 0.000 1.000 136 E CA 2.158 58.416 56.400 -0.236 0.000 0.803 136 E CB -0.152 29.370 29.700 -0.296 0.000 0.750 136 E HN 0.768 nan 8.360 nan 0.000 0.448 137 Y N -0.548 119.768 120.300 0.026 0.000 2.535 137 Y HA 0.248 4.798 4.550 -0.000 0.000 0.264 137 Y C 1.424 177.329 175.900 0.009 0.000 1.087 137 Y CA -0.087 58.020 58.100 0.012 0.000 1.285 137 Y CB 0.063 38.515 38.460 -0.012 0.000 1.200 137 Y HN -0.044 nan 8.280 nan 0.000 0.514 138 G N 0.662 109.551 108.800 0.148 0.000 2.712 138 G HA2 0.251 4.211 3.960 -0.000 0.000 0.258 138 G HA3 0.251 4.211 3.960 -0.000 0.000 0.258 138 G C -0.152 174.782 174.900 0.056 0.000 1.241 138 G CA -0.253 44.897 45.100 0.083 0.000 0.923 138 G HN 0.344 nan 8.290 nan 0.000 0.548 139 L N -0.953 120.287 121.223 0.028 0.000 3.389 139 L HA -0.192 4.148 4.340 -0.000 0.000 0.644 139 L C -0.496 176.389 176.870 0.026 0.000 1.039 139 L CA -0.396 54.437 54.840 -0.012 0.000 1.211 139 L CB -0.966 41.038 42.059 -0.091 0.000 1.459 139 L HN 0.695 nan 8.230 nan 0.000 0.785 140 Y N 3.757 124.004 120.300 -0.087 0.000 2.442 140 Y HA 0.216 4.766 4.550 -0.000 0.000 0.330 140 Y C 0.795 176.633 175.900 -0.104 0.000 1.129 140 Y CA -0.253 57.801 58.100 -0.077 0.000 1.365 140 Y CB 0.834 39.249 38.460 -0.075 0.000 1.233 140 Y HN 0.432 nan 8.280 nan 0.000 0.529 141 E N 6.771 126.629 120.200 -0.569 0.000 2.089 141 E HA 0.182 4.532 4.350 -0.000 0.000 0.284 141 E C -0.933 175.099 176.600 -0.947 0.000 1.023 141 E CA -0.711 55.336 56.400 -0.589 0.000 0.819 141 E CB 0.335 29.855 29.700 -0.300 0.000 1.076 141 E HN 0.669 nan 8.360 nan 0.000 0.396 142 K N 3.079 123.006 120.400 -0.788 0.000 2.098 142 K HA 0.436 4.756 4.320 -0.000 0.000 0.261 142 K C -0.924 175.316 176.600 -0.602 0.000 0.987 142 K CA -0.460 55.470 56.287 -0.595 0.000 0.916 142 K CB 1.265 33.579 32.500 -0.310 0.000 1.039 142 K HN 0.388 nan 8.250 nan 0.000 0.455 151 L N 3.542 124.751 121.223 -0.024 0.000 2.700 151 L HA 0.112 4.451 4.340 -0.000 0.000 0.272 151 L C -1.529 175.323 176.870 -0.031 0.000 1.176 151 L CA -0.852 53.980 54.840 -0.014 0.000 0.961 151 L CB -0.416 41.647 42.059 0.007 0.000 1.249 151 L HN 0.337 nan 8.230 nan 0.000 0.487 152 P HA 0.066 nan 4.420 nan 0.000 0.269 152 P C -0.711 176.534 177.300 -0.091 0.000 1.215 152 P CA -0.288 62.737 63.100 -0.125 0.000 0.780 152 P CB 1.360 32.931 31.700 -0.214 0.000 0.898 153 V N 3.447 123.299 119.914 -0.103 0.000 2.357 153 V HA 0.079 4.199 4.120 -0.000 0.000 0.284 153 V C 0.735 176.809 176.094 -0.034 0.000 1.018 153 V CA -0.191 62.099 62.300 -0.017 0.000 0.841 153 V CB 0.604 32.431 31.823 0.007 0.000 0.991 153 V HN 0.492 nan 8.190 nan 0.000 0.437 154 Y N 2.721 123.031 120.300 0.016 0.000 2.337 154 Y HA 0.044 4.594 4.550 -0.000 0.000 0.293 154 Y C 1.533 177.458 175.900 0.042 0.000 1.123 154 Y CA 1.295 59.410 58.100 0.026 0.000 1.201 154 Y CB 0.529 39.005 38.460 0.027 0.000 1.011 154 Y HN 0.558 nan 8.280 nan 0.000 0.545 155 T N -0.413 114.258 114.554 0.195 0.000 3.071 155 T HA 0.313 4.663 4.350 -0.000 0.000 0.311 155 T C 0.338 175.122 174.700 0.140 0.000 1.042 155 T CA -0.703 61.495 62.100 0.164 0.000 1.028 155 T CB 0.956 69.925 68.868 0.169 0.000 1.068 155 T HN 0.050 nan 8.240 nan 0.000 0.451 156 R N 2.529 123.125 120.500 0.159 0.000 2.156 156 R HA 0.134 4.474 4.340 -0.000 0.000 0.207 156 R C 0.429 176.883 176.300 0.257 0.000 1.040 156 R CA 0.117 56.315 56.100 0.163 0.000 1.013 156 R CB -0.000 30.379 30.300 0.131 0.000 0.931 156 R HN 0.541 nan 8.270 nan 0.000 0.465 157 F N 4.631 124.666 119.950 0.141 0.000 2.462 157 F HA 0.040 4.567 4.527 -0.000 0.000 0.360 157 F C 0.645 176.565 175.800 0.199 0.000 1.134 157 F CA -1.096 57.041 58.000 0.227 0.000 1.148 157 F CB 0.262 39.385 39.000 0.205 0.000 1.147 157 F HN 0.047 nan 8.300 nan 0.000 0.550 158 E N 4.857 124.980 120.200 -0.128 0.000 2.499 158 E HA 0.158 4.508 4.350 -0.000 0.000 0.207 158 E C -0.888 175.287 176.600 -0.709 0.000 1.034 158 E CA -0.244 55.908 56.400 -0.413 0.000 1.098 158 E CB -0.146 29.367 29.700 -0.311 0.000 1.148 158 E HN 0.339 nan 8.360 nan 0.000 0.447 159 F N 0.685 120.071 119.950 -0.940 0.000 2.585 159 F HA 0.329 4.856 4.527 -0.000 0.000 0.350 159 F C 0.897 176.397 175.800 -0.499 0.000 1.074 159 F CA -1.344 56.312 58.000 -0.573 0.000 1.032 159 F CB 0.818 39.691 39.000 -0.212 0.000 1.330 159 F HN -0.272 nan 8.300 nan 0.000 0.495 160 T N 2.044 116.633 114.554 0.057 0.000 2.817 160 T HA 0.218 4.568 4.350 -0.000 0.000 0.295 160 T C 0.398 175.148 174.700 0.083 0.000 0.958 160 T CA -0.369 61.775 62.100 0.073 0.000 1.157 160 T CB -0.088 68.865 68.868 0.141 0.000 0.898 160 T HN 0.324 nan 8.240 nan 0.000 0.536 161 R N 1.590 122.079 120.500 -0.018 0.000 2.801 161 R HA 0.202 4.542 4.340 -0.000 0.000 0.273 161 R C 0.923 177.020 176.300 -0.339 0.000 1.080 161 R CA -0.609 55.464 56.100 -0.044 0.000 1.197 161 R CB 0.457 30.735 30.300 -0.036 0.000 1.109 161 R HN 0.493 nan 8.270 nan 0.000 0.535 162 R N 1.918 122.314 120.500 -0.173 0.000 2.296 162 R HA 0.045 4.384 4.340 -0.000 0.000 0.323 162 R C -1.015 175.152 176.300 -0.222 0.000 1.067 162 R CA -0.009 56.004 56.100 -0.146 0.000 0.946 162 R CB 0.136 30.437 30.300 0.001 0.000 0.991 162 R HN 0.594 nan 8.270 nan 0.000 0.448 163 H N 2.825 121.938 119.070 0.071 0.000 2.466 163 H HA 0.366 4.922 4.556 -0.000 0.000 0.338 163 H C 0.294 175.624 175.328 0.003 0.000 1.091 163 H CA -0.699 55.369 56.048 0.034 0.000 1.207 163 H CB 1.779 31.559 29.762 0.030 0.000 1.466 163 H HN 0.514 nan 8.280 nan 0.000 0.493 164 V N -0.919 119.045 119.914 0.083 0.000 4.087 164 V HA 0.365 4.485 4.120 -0.000 0.000 0.307 164 V C -0.208 175.842 176.094 -0.073 0.000 1.472 164 V CA -1.053 61.227 62.300 -0.033 0.000 0.924 164 V CB 0.909 32.665 31.823 -0.113 0.000 1.193 164 V HN 0.566 nan 8.190 nan 0.000 0.472 165 D N 0.643 120.957 120.400 -0.143 0.000 2.400 165 D HA 0.425 5.065 4.640 -0.000 0.000 0.238 165 D C -0.388 175.834 176.300 -0.129 0.000 1.157 165 D CA 0.526 54.434 54.000 -0.153 0.000 0.889 165 D CB 0.692 41.388 40.800 -0.174 0.000 1.199 165 D HN 0.748 nan 8.370 nan 0.000 0.436 166 K N 0.696 120.961 120.400 -0.225 0.000 2.562 166 K HA 0.197 4.517 4.320 -0.000 0.000 0.267 166 K C -1.115 175.144 176.600 -0.569 0.000 0.938 166 K CA -0.878 55.243 56.287 -0.277 0.000 0.840 166 K CB 0.784 33.146 32.500 -0.231 0.000 1.390 166 K HN 0.811 nan 8.250 nan 0.000 0.428 167 H N -0.308 118.802 119.070 0.068 0.000 2.506 167 H HA -0.234 4.321 4.556 -0.000 0.000 0.323 167 H C -1.567 173.804 175.328 0.073 0.000 1.076 167 H CA 1.432 57.505 56.048 0.042 0.000 1.108 167 H CB -2.242 27.525 29.762 0.008 0.000 1.569 167 H HN 0.582 nan 8.280 nan 0.000 0.399 168 H N 1.343 120.431 119.070 0.030 0.000 2.762 168 H HA 0.430 4.986 4.556 -0.000 0.000 0.310 168 H C -2.814 172.540 175.328 0.044 0.000 1.004 168 H CA -2.588 53.480 56.048 0.033 0.000 1.267 168 H CB 1.460 31.215 29.762 -0.011 0.000 1.437 168 H HN 0.299 nan 8.280 nan 0.000 0.498 169 P HA -0.033 nan 4.420 nan 0.000 0.266 169 P C 0.659 177.695 177.300 -0.440 0.000 1.215 169 P CA 0.078 62.993 63.100 -0.307 0.000 0.763 169 P CB 1.413 33.004 31.700 -0.182 0.000 0.806 170 L N 1.880 122.947 121.223 -0.259 0.000 2.131 170 L HA -0.031 4.309 4.340 -0.000 0.000 0.206 170 L C 1.589 178.414 176.870 -0.075 0.000 1.087 170 L CA 1.211 55.968 54.840 -0.139 0.000 0.767 170 L CB -0.484 41.558 42.059 -0.029 0.000 0.917 170 L HN 0.505 nan 8.230 nan 0.000 0.441 171 S N -2.167 113.469 115.700 -0.106 0.000 2.840 171 S HA 0.428 4.898 4.470 -0.000 0.000 0.307 171 S C -2.300 172.137 174.600 -0.271 0.000 1.180 171 S CA -0.877 57.236 58.200 -0.146 0.000 0.846 171 S CB 1.102 64.248 63.200 -0.090 0.000 1.233 171 S HN -0.214 nan 8.310 nan 0.000 0.548 172 P HA 0.215 nan 4.420 nan 0.000 0.241 172 P C 0.386 177.221 177.300 -0.776 0.000 1.191 172 P CA 0.726 63.427 63.100 -0.664 0.000 0.771 172 P CB -0.244 30.895 31.700 -0.935 0.000 0.929 173 F N -1.265 118.469 119.950 -0.360 0.000 2.727 173 F HA 0.155 4.682 4.527 -0.000 0.000 0.302 173 F C 0.911 176.522 175.800 -0.316 0.000 1.107 173 F CA -0.156 57.451 58.000 -0.654 0.000 1.277 173 F CB 0.689 38.664 39.000 -1.708 0.000 1.079 173 F HN -0.396 nan 8.300 nan 0.000 0.594 174 V N 2.433 122.339 119.914 -0.014 0.000 2.487 174 V HA 0.348 4.468 4.120 -0.000 0.000 0.298 174 V C -0.665 175.436 176.094 0.011 0.000 1.028 174 V CA -0.966 61.382 62.300 0.081 0.000 0.860 174 V CB 2.565 34.465 31.823 0.129 0.000 0.991 174 V HN 0.026 nan 8.190 nan 0.000 0.427 175 I N 5.936 126.523 120.570 0.029 0.000 2.362 175 I HA 0.541 4.711 4.170 -0.000 0.000 0.289 175 I C -1.015 175.117 176.117 0.026 0.000 0.994 175 I CA -0.816 60.477 61.300 -0.011 0.000 1.158 175 I CB 1.490 39.479 38.000 -0.019 0.000 1.315 175 I HN 0.619 nan 8.210 nan 0.000 0.451 176 L N 8.305 129.534 121.223 0.010 0.000 2.282 176 L HA 0.497 4.837 4.340 -0.000 0.000 0.288 176 L C -0.776 176.144 176.870 0.084 0.000 1.033 176 L CA 0.125 55.002 54.840 0.062 0.000 0.807 176 L CB 1.183 43.290 42.059 0.080 0.000 1.209 176 L HN 0.514 nan 8.230 nan 0.000 0.423 177 D N 4.249 124.700 120.400 0.085 0.000 2.472 177 D HA 0.249 4.889 4.640 -0.000 0.000 0.234 177 D C 0.882 177.221 176.300 0.066 0.000 1.088 177 D CA -0.287 53.756 54.000 0.071 0.000 0.882 177 D CB 0.946 41.791 40.800 0.075 0.000 1.037 177 D HN 0.652 nan 8.370 nan 0.000 0.520 178 R N 1.839 122.380 120.500 0.069 0.000 2.091 178 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 178 R C 1.736 178.069 176.300 0.056 0.000 1.136 178 R CA 1.307 57.459 56.100 0.086 0.000 0.959 178 R CB 0.166 30.512 30.300 0.076 0.000 0.856 178 R HN 0.496 nan 8.270 nan 0.000 0.437 179 E N 0.322 120.535 120.200 0.023 0.000 2.097 179 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 179 E C 2.027 178.612 176.600 -0.026 0.000 1.000 179 E CA 1.489 57.895 56.400 0.009 0.000 0.804 179 E CB 0.120 29.823 29.700 0.004 0.000 0.740 179 E HN 0.270 nan 8.360 nan 0.000 0.454 180 R N 0.038 120.507 120.500 -0.050 0.000 2.070 180 R HA -0.064 4.276 4.340 -0.000 0.000 0.233 180 R C 1.417 177.783 176.300 0.110 0.000 1.137 180 R CA 0.682 56.739 56.100 -0.072 0.000 0.945 180 R CB -1.034 29.265 30.300 -0.001 0.000 0.845 180 R HN 0.244 nan 8.270 nan 0.000 0.430 181 C N 2.087 121.416 119.300 0.047 0.000 2.133 181 C HA -0.116 4.344 4.460 -0.000 0.000 0.391 181 C C 1.817 176.730 174.990 -0.128 0.000 1.507 181 C CA 0.156 59.156 59.018 -0.029 0.000 1.498 181 C CB -0.584 27.116 27.740 -0.066 0.000 2.583 181 C HN 0.581 nan 8.230 nan 0.000 0.570 182 I N 1.065 121.575 120.570 -0.100 0.000 4.082 182 I HA 0.365 4.535 4.170 -0.000 0.000 0.337 182 I C 0.612 176.761 176.117 0.053 0.000 1.352 182 I CA -0.032 61.268 61.300 -0.001 0.000 1.097 182 I CB -0.626 37.415 38.000 0.068 0.000 1.048 182 I HN 0.925 nan 8.210 nan 0.000 0.393 183 H N 0.184 119.337 119.070 0.138 0.000 2.931 183 H HA -0.149 4.407 4.556 -0.000 0.000 0.290 183 H C 0.733 176.133 175.328 0.120 0.000 1.264 183 H CA 0.365 56.459 56.048 0.078 0.000 1.140 183 H CB -2.316 27.360 29.762 -0.143 0.000 1.343 183 H HN 0.796 nan 8.280 nan 0.000 0.403 184 C N -0.845 118.596 119.300 0.236 0.000 2.639 184 C HA 0.327 4.787 4.460 -0.000 0.000 0.360 184 C C 1.748 176.936 174.990 0.329 0.000 1.351 184 C CA -0.310 58.844 59.018 0.227 0.000 2.408 184 C CB 1.188 29.018 27.740 0.151 0.000 2.517 184 C HN 0.703 nan 8.230 nan 0.000 0.696 185 K N -0.291 120.282 120.400 0.288 0.000 2.372 185 K HA 0.158 4.478 4.320 -0.000 0.000 0.200 185 K C 2.141 178.859 176.600 0.197 0.000 1.022 185 K CA -0.136 56.353 56.287 0.337 0.000 1.125 185 K CB -0.067 32.625 32.500 0.320 0.000 0.855 185 K HN 0.685 nan 8.250 nan 0.000 0.524 186 R N 0.162 120.761 120.500 0.165 0.000 2.136 186 R HA -0.287 4.053 4.340 -0.000 0.000 0.242 186 R C 2.551 178.916 176.300 0.109 0.000 1.131 186 R CA 2.477 58.653 56.100 0.127 0.000 0.937 186 R CB -1.053 29.301 30.300 0.090 0.000 0.863 186 R HN 0.479 nan 8.270 nan 0.000 0.435 187 C N -0.166 119.178 119.300 0.073 0.000 2.442 187 C HA -0.043 4.417 4.460 -0.000 0.000 0.279 187 C C 2.738 177.813 174.990 0.141 0.000 1.237 187 C CA 0.525 59.571 59.018 0.047 0.000 1.722 187 C CB -1.522 26.251 27.740 0.054 0.000 2.056 187 C HN 0.485 nan 8.230 nan 0.000 0.469 188 V N 1.572 121.536 119.914 0.082 0.000 2.332 188 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 188 V C 2.824 178.991 176.094 0.122 0.000 1.055 188 V CA 2.567 64.913 62.300 0.078 0.000 1.038 188 V CB -1.148 30.550 31.823 -0.209 0.000 0.651 188 V HN 0.641 nan 8.190 nan 0.000 0.450 189 R N -0.893 119.666 120.500 0.099 0.000 2.073 189 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 189 R C 2.365 178.717 176.300 0.088 0.000 1.134 189 R CA 2.075 58.233 56.100 0.097 0.000 0.952 189 R CB -0.802 29.569 30.300 0.118 0.000 0.850 189 R HN 0.749 nan 8.270 nan 0.000 0.433 190 Y N 0.237 120.515 120.300 -0.036 0.000 2.081 190 Y HA -0.293 4.257 4.550 -0.000 0.000 0.280 190 Y C 1.689 177.492 175.900 -0.162 0.000 1.163 190 Y CA 1.934 59.940 58.100 -0.156 0.000 1.135 190 Y CB -0.590 37.701 38.460 -0.282 0.000 0.970 190 Y HN 0.023 nan 8.280 nan 0.000 0.498 191 F N 1.151 121.054 119.950 -0.079 0.000 2.091 191 F HA -0.230 4.297 4.527 -0.000 0.000 0.299 191 F C 2.562 178.239 175.800 -0.205 0.000 1.103 191 F CA 2.160 60.056 58.000 -0.173 0.000 1.228 191 F CB -1.042 37.965 39.000 0.011 0.000 0.984 191 F HN 0.396 nan 8.300 nan 0.000 0.477 192 E N -0.215 120.025 120.200 0.067 0.000 2.274 192 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 192 E C 1.603 178.162 176.600 -0.068 0.000 0.996 192 E CA 1.601 58.007 56.400 0.010 0.000 0.840 192 E CB -0.389 29.315 29.700 0.006 0.000 0.772 192 E HN 0.525 nan 8.360 nan 0.000 0.491 193 E N 0.010 120.125 120.200 -0.141 0.000 2.052 193 E HA 0.027 4.377 4.350 -0.000 0.000 0.192 193 E C 2.031 178.476 176.600 -0.257 0.000 0.958 193 E CA 0.746 57.040 56.400 -0.176 0.000 0.835 193 E CB 0.048 29.681 29.700 -0.111 0.000 0.811 193 E HN 0.082 nan 8.360 nan 0.000 0.462 194 V N 2.340 121.955 119.914 -0.498 0.000 2.221 194 V HA -0.151 3.969 4.120 -0.000 0.000 0.240 194 V C -0.942 174.903 176.094 -0.415 0.000 1.041 194 V CA 2.133 64.079 62.300 -0.591 0.000 0.991 194 V CB -1.220 29.923 31.823 -1.133 0.000 0.634 194 V HN 0.273 nan 8.190 nan 0.000 0.450 195 P HA 0.009 nan 4.420 nan 0.000 0.218 195 P C 1.100 178.523 177.300 0.205 0.000 1.152 195 P CA 1.944 64.887 63.100 -0.262 0.000 0.826 195 P CB -0.016 31.585 31.700 -0.165 0.000 0.790 196 G N -0.096 108.805 108.800 0.169 0.000 2.130 196 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 196 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 196 G C -0.559 174.487 174.900 0.242 0.000 0.999 196 G CA -0.227 45.072 45.100 0.332 0.000 0.686 196 G HN 0.321 nan 8.290 nan 0.000 0.515 197 D N 1.135 121.639 120.400 0.174 0.000 2.432 197 D HA 0.287 4.927 4.640 -0.000 0.000 0.265 197 D C 0.160 176.433 176.300 -0.045 0.000 1.160 197 D CA -0.330 53.725 54.000 0.091 0.000 0.911 197 D CB 0.708 41.576 40.800 0.113 0.000 1.052 197 D HN 0.501 nan 8.370 nan 0.000 0.508 198 E N 0.871 121.036 120.200 -0.059 0.000 1.881 198 E HA 0.103 4.453 4.350 -0.000 0.000 0.264 198 E C 0.819 177.256 176.600 -0.271 0.000 1.243 198 E CA -0.071 56.251 56.400 -0.130 0.000 0.965 198 E CB 0.501 30.164 29.700 -0.061 0.000 1.055 198 E HN 0.209 nan 8.360 nan 0.000 0.412 199 V N 1.462 121.041 119.914 -0.558 0.000 2.804 199 V HA 0.475 4.595 4.120 -0.000 0.000 0.360 199 V C -0.536 175.260 176.094 -0.498 0.000 1.282 199 V CA -0.672 61.304 62.300 -0.540 0.000 1.274 199 V CB -0.257 31.204 31.823 -0.604 0.000 1.415 199 V HN 0.311 nan 8.190 nan 0.000 0.610 200 L N 0.424 121.450 121.223 -0.328 0.000 2.983 200 L HA 0.831 5.171 4.340 -0.000 0.000 0.249 200 L C -1.850 174.923 176.870 -0.162 0.000 0.963 200 L CA 0.220 54.954 54.840 -0.177 0.000 1.011 200 L CB 2.085 44.130 42.059 -0.024 0.000 1.607 200 L HN 0.481 nan 8.230 nan 0.000 0.447 201 D N 1.459 121.735 120.400 -0.206 0.000 2.898 201 D HA 0.296 4.936 4.640 -0.000 0.000 0.254 201 D C -1.136 174.996 176.300 -0.279 0.000 1.107 201 D CA -0.321 53.494 54.000 -0.308 0.000 0.729 201 D CB 0.770 41.464 40.800 -0.177 0.000 1.734 201 D HN 0.122 nan 8.370 nan 0.000 0.452 202 F N 1.854 121.785 119.950 -0.032 0.000 2.545 202 F HA 0.133 4.660 4.527 -0.000 0.000 0.348 202 F C 1.665 177.338 175.800 -0.211 0.000 1.163 202 F CA -0.226 57.721 58.000 -0.089 0.000 1.331 202 F CB 0.077 39.067 39.000 -0.017 0.000 1.138 202 F HN 0.253 nan 8.300 nan 0.000 0.602 203 I N 0.251 120.678 120.570 -0.237 0.000 5.826 203 I HA 0.102 4.272 4.170 -0.000 0.000 0.231 203 I C 1.294 177.282 176.117 -0.214 0.000 0.892 203 I CA -0.070 60.989 61.300 -0.401 0.000 1.799 203 I CB -1.143 36.278 38.000 -0.965 0.000 1.433 203 I HN 0.532 nan 8.210 nan 0.000 0.466 204 E N 1.507 121.579 120.200 -0.214 0.000 4.318 204 E HA 0.114 4.464 4.350 -0.000 0.000 0.486 204 E C 0.089 176.692 176.600 0.006 0.000 1.535 204 E CA -0.159 56.232 56.400 -0.015 0.000 3.006 204 E CB 0.225 29.990 29.700 0.108 0.000 1.318 204 E HN 0.370 nan 8.360 nan 0.000 0.636 205 R N -1.504 119.023 120.500 0.044 0.000 2.922 205 R HA 0.640 4.980 4.340 -0.000 0.000 0.256 205 R C 0.336 176.644 176.300 0.012 0.000 1.138 205 R CA -0.450 55.652 56.100 0.002 0.000 0.995 205 R CB 0.819 31.112 30.300 -0.011 0.000 1.226 205 R HN 0.661 nan 8.270 nan 0.000 0.481 206 G N -0.147 108.608 108.800 -0.075 0.000 2.552 206 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.265 206 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.265 206 G C 0.694 175.470 174.900 -0.206 0.000 1.234 206 G CA 0.246 45.274 45.100 -0.121 0.000 0.944 206 G HN 0.985 nan 8.290 nan 0.000 0.568 207 V N -0.888 118.844 119.914 -0.303 0.000 3.241 207 V HA -0.013 4.107 4.120 -0.000 0.000 0.269 207 V C 1.950 177.849 176.094 -0.327 0.000 1.151 207 V CA 2.473 64.550 62.300 -0.371 0.000 1.158 207 V CB -0.817 30.735 31.823 -0.452 0.000 0.764 207 V HN 0.701 nan 8.190 nan 0.000 0.508 208 H N 0.466 119.543 119.070 0.012 0.000 2.592 208 H HA 0.151 4.707 4.556 -0.000 0.000 0.265 208 H C 1.668 177.136 175.328 0.234 0.000 0.955 208 H CA 0.716 56.834 56.048 0.116 0.000 1.175 208 H CB 0.170 29.998 29.762 0.110 0.000 1.433 208 H HN 0.614 nan 8.280 nan 0.000 0.537 209 T N 0.548 115.209 114.554 0.178 0.000 2.856 209 T HA 0.192 4.542 4.350 -0.000 0.000 0.329 209 T C 0.044 175.004 174.700 0.433 0.000 1.094 209 T CA -0.105 62.083 62.100 0.147 0.000 1.112 209 T CB 0.183 68.998 68.868 -0.087 0.000 1.009 209 T HN 0.274 nan 8.240 nan 0.000 0.550 210 F N -0.119 120.013 119.950 0.304 0.000 2.773 210 F HA 0.653 5.180 4.527 -0.000 0.000 0.314 210 F C -1.431 174.587 175.800 0.363 0.000 1.160 210 F CA -1.821 56.387 58.000 0.347 0.000 0.920 210 F CB 0.768 39.903 39.000 0.225 0.000 1.323 210 F HN 0.421 nan 8.300 nan 0.000 0.457 211 I N 1.929 122.783 120.570 0.473 0.000 2.395 211 I HA 0.649 4.819 4.170 -0.000 0.000 0.289 211 I C 0.495 176.760 176.117 0.246 0.000 1.023 211 I CA 0.063 61.508 61.300 0.241 0.000 1.350 211 I CB 0.513 38.626 38.000 0.189 0.000 1.409 211 I HN 0.930 nan 8.210 nan 0.000 0.507 212 G N 3.665 112.508 108.800 0.071 0.000 2.682 212 G HA2 0.622 4.582 3.960 -0.000 0.000 0.290 212 G HA3 0.622 4.582 3.960 -0.000 0.000 0.290 212 G C -1.347 173.536 174.900 -0.027 0.000 1.425 212 G CA -0.293 44.863 45.100 0.092 0.000 0.807 212 G HN 0.533 nan 8.290 nan 0.000 0.482 213 T N -0.963 113.556 114.554 -0.059 0.000 2.816 213 T HA 0.570 4.920 4.350 -0.000 0.000 0.299 213 T C -0.094 174.374 174.700 -0.387 0.000 1.230 213 T CA -0.550 61.420 62.100 -0.217 0.000 1.007 213 T CB 1.653 70.373 68.868 -0.246 0.000 1.289 213 T HN 0.323 nan 8.240 nan 0.000 0.508 214 M N 1.226 120.513 119.600 -0.522 0.000 2.241 214 M HA 0.253 4.733 4.480 -0.000 0.000 0.374 214 M C -0.968 174.871 176.300 -0.768 0.000 0.922 214 M CA 0.105 54.995 55.300 -0.684 0.000 1.031 214 M CB 0.502 32.946 32.600 -0.260 0.000 1.864 214 M HN 0.487 nan 8.290 nan 0.000 0.636 215 D N 0.541 120.587 120.400 -0.589 0.000 2.493 215 D HA 0.263 4.903 4.640 -0.000 0.000 0.235 215 D C 0.648 176.758 176.300 -0.316 0.000 1.117 215 D CA -0.237 53.552 54.000 -0.352 0.000 0.930 215 D CB 0.233 40.905 40.800 -0.213 0.000 1.010 215 D HN -0.030 nan 8.370 nan 0.000 0.514 216 F N 0.864 120.798 119.950 -0.025 0.000 2.134 216 F HA -0.015 4.512 4.527 -0.000 0.000 0.299 216 F C 2.653 178.437 175.800 -0.027 0.000 1.097 216 F CA 0.948 58.938 58.000 -0.017 0.000 1.264 216 F CB -0.223 38.772 39.000 -0.009 0.000 1.001 216 F HN 0.457 nan 8.300 nan 0.000 0.479 217 G N 0.071 108.948 108.800 0.129 0.000 2.625 217 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.214 217 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.214 217 G C 0.694 175.621 174.900 0.045 0.000 1.132 217 G CA -0.012 45.126 45.100 0.063 0.000 0.782 217 G HN 0.270 nan 8.290 nan 0.000 0.538 218 L N -0.811 120.421 121.223 0.015 0.000 3.664 218 L HA -0.129 4.210 4.340 -0.000 0.000 0.560 218 L C -0.887 176.022 176.870 0.064 0.000 1.285 218 L CA 0.253 55.103 54.840 0.017 0.000 0.864 218 L CB -1.488 40.628 42.059 0.094 0.000 1.512 218 L HN 0.205 nan 8.230 nan 0.000 0.853 219 P HA -0.170 nan 4.420 nan 0.000 0.212 219 P C 0.968 178.326 177.300 0.097 0.000 1.174 219 P CA 1.892 65.023 63.100 0.051 0.000 0.934 219 P CB 0.035 31.741 31.700 0.011 0.000 0.791 220 S N -0.527 115.246 115.700 0.120 0.000 2.571 220 S HA 0.023 4.493 4.470 -0.000 0.000 0.298 220 S C 1.311 175.982 174.600 0.119 0.000 1.280 220 S CA 0.062 58.369 58.200 0.179 0.000 1.052 220 S CB -0.023 63.364 63.200 0.310 0.000 0.799 220 S HN 0.341 nan 8.310 nan 0.000 0.501 221 G N 1.153 109.898 108.800 -0.091 0.000 3.234 221 G HA2 0.354 4.314 3.960 -0.000 0.000 0.221 221 G HA3 0.354 4.314 3.960 -0.000 0.000 0.221 221 G C -0.155 174.220 174.900 -0.875 0.000 1.229 221 G CA -0.346 44.468 45.100 -0.476 0.000 0.909 221 G HN 0.709 nan 8.290 nan 0.000 0.510 222 F N 0.018 120.000 119.950 0.053 0.000 2.605 222 F HA 0.169 4.696 4.527 -0.000 0.000 0.391 222 F C 1.620 177.515 175.800 0.159 0.000 1.429 222 F CA -0.365 57.667 58.000 0.054 0.000 1.138 222 F CB 0.325 39.296 39.000 -0.047 0.000 1.198 222 F HN 0.123 nan 8.300 nan 0.000 0.516 223 S N -0.887 115.007 115.700 0.323 0.000 2.425 223 S HA 0.010 4.480 4.470 -0.000 0.000 0.225 223 S C 2.263 177.000 174.600 0.230 0.000 1.024 223 S CA 0.946 59.360 58.200 0.357 0.000 0.951 223 S CB -0.590 62.866 63.200 0.426 0.000 0.796 223 S HN 0.433 nan 8.310 nan 0.000 0.498 224 G N 2.428 111.411 108.800 0.305 0.000 2.499 224 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.221 224 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.221 224 G C 1.431 176.349 174.900 0.031 0.000 1.109 224 G CA 0.865 46.118 45.100 0.255 0.000 0.749 224 G HN 0.566 nan 8.290 nan 0.000 0.568 225 N N 0.912 119.577 118.700 -0.058 0.000 2.270 225 N HA -0.078 4.662 4.740 -0.000 0.000 0.181 225 N C 2.377 177.709 175.510 -0.297 0.000 1.016 225 N CA 1.203 54.168 53.050 -0.141 0.000 0.870 225 N CB -0.223 38.173 38.487 -0.151 0.000 0.979 225 N HN 0.648 nan 8.380 nan 0.000 0.431 226 I N -0.793 119.516 120.570 -0.435 0.000 2.423 226 I HA -0.162 4.008 4.170 -0.000 0.000 0.254 226 I C 1.653 177.707 176.117 -0.105 0.000 1.151 226 I CA 1.217 62.317 61.300 -0.332 0.000 1.421 226 I CB -0.927 36.918 38.000 -0.259 0.000 1.079 226 I HN -0.151 nan 8.210 nan 0.000 0.431 227 T N 1.168 115.707 114.554 -0.025 0.000 2.803 227 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 227 T C 1.339 176.037 174.700 -0.004 0.000 1.052 227 T CA 1.924 64.040 62.100 0.027 0.000 1.136 227 T CB -0.319 68.599 68.868 0.083 0.000 0.864 227 T HN 0.473 nan 8.240 nan 0.000 0.467 228 D N 0.025 120.407 120.400 -0.029 0.000 2.348 228 D HA 0.204 4.843 4.640 -0.000 0.000 0.211 228 D C 1.757 178.037 176.300 -0.033 0.000 0.998 228 D CA 0.284 54.267 54.000 -0.029 0.000 0.873 228 D CB 0.185 40.967 40.800 -0.030 0.000 0.925 228 D HN 0.416 nan 8.370 nan 0.000 0.524 229 I N -0.368 120.180 120.570 -0.036 0.000 3.039 229 I HA 0.010 4.180 4.170 -0.000 0.000 0.270 229 I C 1.049 177.149 176.117 -0.028 0.000 1.150 229 I CA -0.076 61.210 61.300 -0.024 0.000 1.448 229 I CB 0.069 38.061 38.000 -0.013 0.000 1.197 229 I HN -0.085 nan 8.210 nan 0.000 0.450 230 C N 5.829 125.114 119.300 -0.026 0.000 2.409 230 C HA -0.008 4.452 4.460 -0.000 0.000 0.399 230 C C -0.167 174.801 174.990 -0.038 0.000 1.505 230 C CA -1.103 57.906 59.018 -0.016 0.000 1.435 230 C CB -0.328 27.417 27.740 0.007 0.000 2.462 230 C HN 0.262 nan 8.230 nan 0.000 0.619 231 P HA -0.107 nan 4.420 nan 0.000 0.218 231 P C 0.617 177.840 177.300 -0.128 0.000 1.146 231 P CA 1.899 64.902 63.100 -0.160 0.000 0.813 231 P CB -0.282 31.222 31.700 -0.327 0.000 0.778 232 V N -4.684 115.192 119.914 -0.063 0.000 3.271 232 V HA 0.808 4.928 4.120 -0.000 0.000 0.305 232 V C 1.442 177.567 176.094 0.051 0.000 1.303 232 V CA -0.169 62.135 62.300 0.007 0.000 1.038 232 V CB 0.173 32.032 31.823 0.060 0.000 1.197 232 V HN -0.112 nan 8.190 nan 0.000 0.478 233 G N -1.524 107.332 108.800 0.093 0.000 3.371 233 G HA2 0.432 4.392 3.960 -0.000 0.000 0.248 233 G HA3 0.432 4.392 3.960 -0.000 0.000 0.248 233 G C 0.954 175.906 174.900 0.088 0.000 1.161 233 G CA 0.784 45.941 45.100 0.093 0.000 0.796 233 G HN 1.189 nan 8.290 nan 0.000 0.539 234 A N 0.455 123.323 122.820 0.079 0.000 1.840 234 A HA 0.280 4.600 4.320 -0.000 0.000 0.214 234 A C 1.158 178.790 177.584 0.080 0.000 1.198 234 A CA 0.460 52.544 52.037 0.077 0.000 0.608 234 A CB -0.224 18.820 19.000 0.072 0.000 0.839 234 A HN 0.305 nan 8.150 nan 0.000 0.443 235 L N 1.306 122.574 121.223 0.075 0.000 2.268 235 L HA 0.419 4.758 4.340 -0.000 0.000 0.289 235 L C -0.947 175.973 176.870 0.083 0.000 1.064 235 L CA -0.106 54.782 54.840 0.080 0.000 0.824 235 L CB 0.730 42.832 42.059 0.072 0.000 1.202 235 L HN 0.304 nan 8.230 nan 0.000 0.433 236 L N 2.458 123.739 121.223 0.097 0.000 2.370 236 L HA 0.382 4.722 4.340 -0.000 0.000 0.266 236 L C -0.245 176.713 176.870 0.147 0.000 1.002 236 L CA -0.877 54.027 54.840 0.106 0.000 0.818 236 L CB 2.516 44.634 42.059 0.098 0.000 1.325 236 L HN 0.404 nan 8.230 nan 0.000 0.418 237 D N 2.256 122.757 120.400 0.169 0.000 2.346 237 D HA -0.004 4.636 4.640 -0.000 0.000 0.267 237 D C 0.623 177.063 176.300 0.234 0.000 1.320 237 D CA -0.007 54.155 54.000 0.270 0.000 0.951 237 D CB 1.124 42.052 40.800 0.213 0.000 1.079 237 D HN 0.336 nan 8.370 nan 0.000 0.509 238 L N 4.156 125.518 121.223 0.232 0.000 2.291 238 L HA -0.048 4.292 4.340 -0.000 0.000 0.214 238 L C 2.103 179.071 176.870 0.164 0.000 1.120 238 L CA 1.383 56.294 54.840 0.119 0.000 0.799 238 L CB -0.683 41.395 42.059 0.031 0.000 0.925 238 L HN 0.435 nan 8.230 nan 0.000 0.446 239 T N -0.811 113.940 114.554 0.329 0.000 2.881 239 T HA -0.049 4.301 4.350 -0.000 0.000 0.270 239 T C 1.115 175.985 174.700 0.283 0.000 1.068 239 T CA 1.171 63.492 62.100 0.368 0.000 1.131 239 T CB -0.137 69.101 68.868 0.617 0.000 0.871 239 T HN 0.475 nan 8.240 nan 0.000 0.479 240 A N 0.827 123.784 122.820 0.228 0.000 2.705 240 A HA 0.446 4.766 4.320 -0.000 0.000 0.294 240 A C 0.466 178.115 177.584 0.108 0.000 1.039 240 A CA -0.585 51.537 52.037 0.142 0.000 1.005 240 A CB -0.077 18.980 19.000 0.093 0.000 1.192 240 A HN 0.445 nan 8.150 nan 0.000 0.513 241 R N 0.090 120.642 120.500 0.086 0.000 2.537 241 R HA 0.269 4.609 4.340 -0.000 0.000 0.280 241 R C -0.793 175.605 176.300 0.163 0.000 1.058 241 R CA -0.158 55.973 56.100 0.051 0.000 1.057 241 R CB -0.158 30.061 30.300 -0.136 0.000 0.973 241 R HN 0.312 nan 8.270 nan 0.000 0.438 242 F N 3.024 122.968 119.950 -0.009 0.000 2.773 242 F HA -0.259 4.268 4.527 -0.000 0.000 0.251 242 F C 0.341 176.120 175.800 -0.036 0.000 1.020 242 F CA 0.583 58.567 58.000 -0.027 0.000 0.924 242 F CB -0.967 38.019 39.000 -0.022 0.000 0.919 242 F HN 0.792 nan 8.300 nan 0.000 0.846 243 R N -0.029 120.535 120.500 0.107 0.000 2.196 243 R HA 0.722 5.062 4.340 -0.000 0.000 0.186 243 R C 0.848 177.118 176.300 -0.051 0.000 1.163 243 R CA 1.000 57.114 56.100 0.023 0.000 1.146 243 R CB 0.013 30.317 30.300 0.007 0.000 1.113 243 R HN 0.293 nan 8.270 nan 0.000 0.513 244 A N 1.372 124.135 122.820 -0.095 0.000 2.566 244 A HA 0.716 5.036 4.320 -0.000 0.000 0.292 244 A C -0.852 176.566 177.584 -0.276 0.000 1.112 244 A CA -0.740 51.184 52.037 -0.188 0.000 0.707 244 A CB 1.597 20.482 19.000 -0.191 0.000 1.302 244 A HN -0.048 nan 8.150 nan 0.000 0.409 245 R N 1.057 121.269 120.500 -0.480 0.000 2.582 245 R HA 0.237 4.577 4.340 -0.000 0.000 0.271 245 R C 0.843 176.703 176.300 -0.732 0.000 1.078 245 R CA -0.661 55.002 56.100 -0.728 0.000 1.127 245 R CB 0.135 29.623 30.300 -1.353 0.000 1.038 245 R HN 0.839 nan 8.270 nan 0.000 0.500 246 N N 1.000 119.406 118.700 -0.490 0.000 2.348 246 N HA -0.185 4.555 4.740 -0.000 0.000 0.185 246 N C 1.483 176.947 175.510 -0.076 0.000 1.019 246 N CA 1.659 54.598 53.050 -0.185 0.000 0.880 246 N CB -0.006 38.479 38.487 -0.003 0.000 0.965 246 N HN 0.660 nan 8.380 nan 0.000 0.437 247 W N 1.440 122.735 121.300 -0.009 0.000 2.576 247 W HA 0.234 4.894 4.660 -0.000 0.000 0.275 247 W C 1.535 178.045 176.519 -0.015 0.000 1.241 247 W CA -0.086 57.253 57.345 -0.011 0.000 1.328 247 W CB -0.569 28.886 29.460 -0.008 0.000 1.092 247 W HN -0.146 nan 8.180 nan 0.000 0.586 248 E N 0.937 120.853 120.200 -0.474 0.000 2.331 248 E HA -0.119 4.231 4.350 -0.000 0.000 0.199 248 E C 1.113 177.634 176.600 -0.132 0.000 1.008 248 E CA 0.656 56.898 56.400 -0.262 0.000 0.843 248 E CB -0.218 29.230 29.700 -0.420 0.000 0.761 248 E HN 0.266 nan 8.360 nan 0.000 0.507 249 M N 0.684 120.206 119.600 -0.131 0.000 2.241 249 M HA 0.120 4.600 4.480 -0.000 0.000 0.335 249 M C 0.263 176.535 176.300 -0.048 0.000 1.122 249 M CA 0.278 55.522 55.300 -0.093 0.000 1.164 249 M CB 0.840 33.379 32.600 -0.102 0.000 1.459 249 M HN -0.139 nan 8.290 nan 0.000 0.461 250 E N 2.090 122.257 120.200 -0.054 0.000 2.055 250 E HA 0.198 4.548 4.350 -0.000 0.000 0.274 250 E C -0.972 175.599 176.600 -0.048 0.000 0.949 250 E CA -0.217 56.160 56.400 -0.038 0.000 0.775 250 E CB 0.741 30.417 29.700 -0.040 0.000 1.097 250 E HN 0.515 nan 8.360 nan 0.000 0.404 251 E N 2.513 122.694 120.200 -0.032 0.000 2.338 251 E HA 0.164 4.514 4.350 -0.000 0.000 0.272 251 E C -0.802 175.781 176.600 -0.028 0.000 1.029 251 E CA 0.106 56.486 56.400 -0.034 0.000 0.872 251 E CB 1.349 31.039 29.700 -0.018 0.000 1.015 251 E HN 0.297 nan 8.360 nan 0.000 0.417 252 T N 4.551 119.085 114.554 -0.034 0.000 3.038 252 T HA 0.240 4.590 4.350 -0.000 0.000 0.344 252 T C -2.494 172.206 174.700 -0.001 0.000 1.054 252 T CA -1.457 60.631 62.100 -0.019 0.000 1.092 252 T CB 0.897 69.746 68.868 -0.031 0.000 1.031 252 T HN 0.298 nan 8.240 nan 0.000 0.482 253 P HA 0.348 nan 4.420 nan 0.000 0.271 253 P C -0.194 177.130 177.300 0.040 0.000 1.220 253 P CA 0.287 63.400 63.100 0.022 0.000 0.768 253 P CB 1.378 33.090 31.700 0.019 0.000 0.848 254 T N 1.130 115.720 114.554 0.061 0.000 2.646 254 T HA 0.395 4.745 4.350 -0.000 0.000 0.297 254 T C -1.312 173.448 174.700 0.101 0.000 1.363 254 T CA -0.184 61.967 62.100 0.085 0.000 1.056 254 T CB 0.737 69.671 68.868 0.111 0.000 1.779 254 T HN 0.296 nan 8.240 nan 0.000 0.459 255 T N 1.084 115.715 114.554 0.128 0.000 2.848 255 T HA 0.470 4.819 4.350 -0.000 0.000 0.285 255 T C -0.457 174.339 174.700 0.159 0.000 0.995 255 T CA -0.371 61.793 62.100 0.107 0.000 0.970 255 T CB 0.873 69.773 68.868 0.054 0.000 0.976 255 T HN 0.824 nan 8.240 nan 0.000 0.441 256 C N 3.584 122.963 119.300 0.131 0.000 2.629 256 C HA 0.665 5.125 4.460 -0.000 0.000 0.410 256 C C 1.217 176.061 174.990 -0.244 0.000 1.339 256 C CA -0.242 58.837 59.018 0.102 0.000 1.810 256 C CB -1.541 26.275 27.740 0.127 0.000 2.549 256 C HN 0.964 nan 8.230 nan 0.000 0.589 257 A N 5.845 128.144 122.820 -0.867 0.000 2.793 257 A HA 0.353 4.673 4.320 -0.000 0.000 0.301 257 A C 1.074 178.205 177.584 -0.754 0.000 1.172 257 A CA -0.243 51.313 52.037 -0.802 0.000 0.973 257 A CB -0.205 18.308 19.000 -0.812 0.000 1.164 257 A HN 0.940 nan 8.150 nan 0.000 0.542 258 L N -0.274 120.651 121.223 -0.495 0.000 2.240 258 L HA 0.022 4.362 4.340 -0.000 0.000 0.211 258 L C 1.222 178.034 176.870 -0.097 0.000 1.106 258 L CA 0.997 55.729 54.840 -0.180 0.000 0.793 258 L CB 0.110 42.130 42.059 -0.065 0.000 0.927 258 L HN 0.820 nan 8.230 nan 0.000 0.446 259 C N -4.542 114.683 119.300 -0.124 0.000 3.340 259 C HA 0.459 4.919 4.460 -0.000 0.000 0.333 259 C C -1.892 173.048 174.990 -0.084 0.000 1.464 259 C CA -1.372 57.591 59.018 -0.092 0.000 1.337 259 C CB 0.855 28.542 27.740 -0.089 0.000 1.740 259 C HN -0.117 nan 8.230 nan 0.000 0.450 260 P HA -0.033 nan 4.420 nan 0.000 0.226 260 P C 1.576 178.850 177.300 -0.042 0.000 1.153 260 P CA 1.765 64.834 63.100 -0.051 0.000 0.777 260 P CB -0.084 31.594 31.700 -0.037 0.000 0.794 261 V N -3.436 116.458 119.914 -0.034 0.000 2.970 261 V HA 0.154 4.274 4.120 -0.000 0.000 0.260 261 V C 1.371 177.455 176.094 -0.017 0.000 1.100 261 V CA 0.878 63.169 62.300 -0.015 0.000 1.122 261 V CB -1.973 29.854 31.823 0.006 0.000 0.721 261 V HN 0.254 nan 8.190 nan 0.000 0.483 262 G N 0.559 109.336 108.800 -0.038 0.000 2.395 262 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.292 262 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.292 262 G C 0.245 175.141 174.900 -0.006 0.000 0.953 262 G CA 0.289 45.367 45.100 -0.036 0.000 1.207 262 G HN 0.838 nan 8.290 nan 0.000 0.503 263 C N -0.443 118.861 119.300 0.006 0.000 2.775 263 C HA 0.505 4.964 4.460 -0.000 0.000 0.391 263 C C 1.677 176.685 174.990 0.029 0.000 1.295 263 C CA 0.316 59.348 59.018 0.023 0.000 2.119 263 C CB 0.351 28.114 27.740 0.039 0.000 2.705 263 C HN 1.060 nan 8.230 nan 0.000 0.710 264 G N 1.341 110.155 108.800 0.022 0.000 2.320 264 G HA2 0.573 4.533 3.960 -0.000 0.000 0.300 264 G HA3 0.573 4.533 3.960 -0.000 0.000 0.300 264 G C -0.516 174.403 174.900 0.031 0.000 1.126 264 G CA -0.350 44.766 45.100 0.026 0.000 0.896 264 G HN 0.861 nan 8.290 nan 0.000 0.436 265 I N -0.707 119.898 120.570 0.058 0.000 3.067 265 I HA 0.835 5.005 4.170 -0.000 0.000 0.312 265 I C -0.557 175.586 176.117 0.042 0.000 1.073 265 I CA -0.962 60.373 61.300 0.057 0.000 1.016 265 I CB 2.673 40.742 38.000 0.115 0.000 1.227 265 I HN 0.230 nan 8.210 nan 0.000 0.456 266 T N 2.409 116.971 114.554 0.012 0.000 2.848 266 T HA 0.707 5.057 4.350 -0.000 0.000 0.285 266 T C -0.517 174.157 174.700 -0.043 0.000 0.995 266 T CA -0.504 61.591 62.100 -0.009 0.000 0.970 266 T CB 1.593 70.447 68.868 -0.024 0.000 0.976 266 T HN 0.820 nan 8.240 nan 0.000 0.441 267 A N 2.919 125.702 122.820 -0.062 0.000 2.273 267 A HA 0.616 4.936 4.320 -0.000 0.000 0.315 267 A C -0.550 176.943 177.584 -0.152 0.000 1.256 267 A CA -0.816 51.131 52.037 -0.149 0.000 0.851 267 A CB 0.356 19.244 19.000 -0.186 0.000 1.172 267 A HN 0.712 nan 8.150 nan 0.000 0.508 268 D N 2.763 123.055 120.400 -0.181 0.000 2.277 268 D HA 0.470 5.110 4.640 -0.000 0.000 0.249 268 D C 0.037 176.228 176.300 -0.181 0.000 1.134 268 D CA 0.650 54.558 54.000 -0.154 0.000 0.863 268 D CB 1.406 42.122 40.800 -0.139 0.000 1.143 268 D HN 0.578 nan 8.370 nan 0.000 0.458 269 T N -0.183 114.287 114.554 -0.142 0.000 2.912 269 T HA 0.661 5.011 4.350 -0.000 0.000 0.299 269 T C -0.299 174.340 174.700 -0.103 0.000 1.052 269 T CA -1.137 60.880 62.100 -0.138 0.000 0.996 269 T CB 2.424 71.210 68.868 -0.136 0.000 1.070 269 T HN 0.331 nan 8.240 nan 0.000 0.465 270 R N 1.388 121.830 120.500 -0.097 0.000 2.510 270 R HA 0.519 4.859 4.340 -0.000 0.000 0.294 270 R C -0.600 175.662 176.300 -0.064 0.000 1.056 270 R CA -0.348 55.706 56.100 -0.076 0.000 0.918 270 R CB 0.978 31.228 30.300 -0.084 0.000 1.187 270 R HN 0.877 nan 8.270 nan 0.000 0.437 271 S N 2.644 118.314 115.700 -0.051 0.000 3.749 271 S HA -0.170 4.300 4.470 -0.000 0.000 0.348 271 S C 0.855 175.427 174.600 -0.045 0.000 1.045 271 S CA 1.283 59.458 58.200 -0.041 0.000 1.051 271 S CB -1.336 61.842 63.200 -0.036 0.000 0.898 271 S HN 1.317 nan 8.310 nan 0.000 0.472 272 G N 0.227 108.994 108.800 -0.054 0.000 2.162 272 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 272 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 272 G C -0.351 174.505 174.900 -0.072 0.000 0.976 272 G CA 0.777 45.842 45.100 -0.058 0.000 0.655 272 G HN 1.090 nan 8.290 nan 0.000 0.533 273 E N -0.558 119.593 120.200 -0.082 0.000 2.227 273 E HA 0.715 5.064 4.350 -0.000 0.000 0.268 273 E C -0.664 175.854 176.600 -0.137 0.000 0.907 273 E CA -1.476 54.867 56.400 -0.096 0.000 0.786 273 E CB 2.180 31.839 29.700 -0.068 0.000 1.191 273 E HN 0.209 nan 8.360 nan 0.000 0.411 274 L N 4.214 125.330 121.223 -0.180 0.000 2.283 274 L HA 0.109 4.449 4.340 -0.000 0.000 0.287 274 L C -0.065 176.643 176.870 -0.270 0.000 1.073 274 L CA -0.327 54.349 54.840 -0.274 0.000 0.822 274 L CB 0.635 42.461 42.059 -0.388 0.000 1.186 274 L HN 0.799 nan 8.230 nan 0.000 0.436 275 L N 4.193 125.257 121.223 -0.265 0.000 2.189 275 L HA 0.280 4.620 4.340 -0.000 0.000 0.199 275 L C 0.964 177.664 176.870 -0.284 0.000 1.074 275 L CA 0.937 55.657 54.840 -0.200 0.000 0.783 275 L CB -0.660 41.318 42.059 -0.136 0.000 0.955 275 L HN 0.729 nan 8.230 nan 0.000 0.460 276 R N -0.585 119.693 120.500 -0.370 0.000 2.707 276 R HA 0.508 4.848 4.340 -0.000 0.000 0.272 276 R C -1.667 174.410 176.300 -0.371 0.000 1.011 276 R CA -0.589 55.313 56.100 -0.329 0.000 0.893 276 R CB 2.267 32.492 30.300 -0.126 0.000 1.233 276 R HN -0.148 nan 8.270 nan 0.000 0.464 277 I N 2.793 123.205 120.570 -0.264 0.000 2.530 277 I HA 0.558 4.728 4.170 -0.000 0.000 0.297 277 I C -0.072 175.969 176.117 -0.127 0.000 1.011 277 I CA -0.748 60.444 61.300 -0.180 0.000 1.107 277 I CB 1.888 39.833 38.000 -0.090 0.000 1.285 277 I HN 0.713 nan 8.210 nan 0.000 0.436 278 R N 2.384 122.829 120.500 -0.091 0.000 2.855 278 R HA 0.797 5.137 4.340 -0.000 0.000 0.266 278 R C -0.714 175.559 176.300 -0.046 0.000 1.034 278 R CA -0.938 55.117 56.100 -0.075 0.000 0.944 278 R CB 2.062 32.324 30.300 -0.064 0.000 1.219 278 R HN 0.699 nan 8.270 nan 0.000 0.474 279 A N 1.231 124.023 122.820 -0.045 0.000 2.371 279 A HA 0.384 4.704 4.320 -0.000 0.000 0.257 279 A C -0.313 177.243 177.584 -0.047 0.000 1.089 279 A CA -0.091 51.923 52.037 -0.038 0.000 0.794 279 A CB 0.408 19.378 19.000 -0.050 0.000 1.029 279 A HN 0.674 nan 8.150 nan 0.000 0.488 280 R N 1.534 122.010 120.500 -0.040 0.000 2.513 280 R HA 0.298 4.638 4.340 -0.000 0.000 0.301 280 R C -0.591 175.677 176.300 -0.052 0.000 0.968 280 R CA -0.390 55.689 56.100 -0.035 0.000 0.872 280 R CB 1.045 31.340 30.300 -0.008 0.000 1.177 280 R HN 0.891 nan 8.270 nan 0.000 0.444 281 E N 3.452 123.616 120.200 -0.060 0.000 2.351 281 E HA 0.054 4.404 4.350 -0.000 0.000 0.266 281 E C -1.219 175.362 176.600 -0.032 0.000 1.031 281 E CA 0.075 56.434 56.400 -0.068 0.000 0.911 281 E CB 1.048 30.717 29.700 -0.052 0.000 0.986 281 E HN 0.369 nan 8.360 nan 0.000 0.446 282 V N 7.947 127.838 119.914 -0.038 0.000 2.666 282 V HA 0.216 4.336 4.120 -0.000 0.000 0.261 282 V C -2.096 173.994 176.094 -0.007 0.000 0.892 282 V CA -1.363 60.930 62.300 -0.012 0.000 0.937 282 V CB 1.457 33.276 31.823 -0.007 0.000 1.063 282 V HN 0.680 nan 8.190 nan 0.000 0.494 283 P HA -0.173 nan 4.420 nan 0.000 0.220 283 P C 1.178 178.502 177.300 0.039 0.000 1.144 283 P CA 1.400 64.523 63.100 0.039 0.000 0.800 283 P CB 0.381 32.130 31.700 0.082 0.000 0.772 284 E N -0.088 120.129 120.200 0.029 0.000 2.077 284 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 284 E C 2.005 178.619 176.600 0.023 0.000 0.989 284 E CA 0.888 57.304 56.400 0.027 0.000 0.800 284 E CB -1.227 28.485 29.700 0.020 0.000 0.746 284 E HN 0.236 nan 8.360 nan 0.000 0.452 285 V N 2.027 121.951 119.914 0.016 0.000 4.168 285 V HA 0.043 4.163 4.120 -0.000 0.000 0.181 285 V C 0.355 176.460 176.094 0.019 0.000 1.177 285 V CA 0.258 62.568 62.300 0.016 0.000 1.470 285 V CB 0.209 32.039 31.823 0.011 0.000 1.783 285 V HN 0.326 nan 8.190 nan 0.000 0.431 286 N N 0.432 119.142 118.700 0.016 0.000 2.518 286 N HA 0.042 4.782 4.740 -0.000 0.000 0.266 286 N C 0.245 175.727 175.510 -0.046 0.000 1.196 286 N CA 0.132 53.195 53.050 0.022 0.000 0.947 286 N CB 1.973 40.486 38.487 0.042 0.000 1.098 286 N HN 0.601 nan 8.380 nan 0.000 0.450 287 E N 1.485 121.611 120.200 -0.123 0.000 2.013 287 E HA 0.027 4.377 4.350 -0.000 0.000 0.194 287 E C 1.063 177.401 176.600 -0.437 0.000 0.973 287 E CA 1.404 57.609 56.400 -0.326 0.000 0.842 287 E CB 0.037 29.351 29.700 -0.643 0.000 0.801 287 E HN 0.820 nan 8.360 nan 0.000 0.476 288 I N -3.126 116.929 120.570 -0.859 0.000 3.994 288 I HA 0.351 4.521 4.170 -0.000 0.000 0.323 288 I C -0.843 174.915 176.117 -0.598 0.000 1.501 288 I CA -0.534 60.350 61.300 -0.694 0.000 1.112 288 I CB 0.052 37.589 38.000 -0.772 0.000 1.254 288 I HN 0.044 nan 8.210 nan 0.000 0.495 289 W N 1.490 122.761 121.300 -0.048 0.000 2.578 289 W HA 0.753 5.413 4.660 -0.000 0.000 0.353 289 W C -0.350 176.178 176.519 0.014 0.000 1.088 289 W CA -1.063 56.279 57.345 -0.004 0.000 1.235 289 W CB 1.846 31.323 29.460 0.027 0.000 1.362 289 W HN -0.185 nan 8.180 nan 0.000 0.592 290 I N 2.633 123.392 120.570 0.314 0.000 2.644 290 I HA 0.114 4.284 4.170 -0.000 0.000 0.291 290 I C 0.201 176.403 176.117 0.141 0.000 1.180 290 I CA -1.403 59.990 61.300 0.156 0.000 1.040 290 I CB 0.761 38.790 38.000 0.049 0.000 1.255 290 I HN 0.680 nan 8.210 nan 0.000 0.422 291 C N 3.791 123.134 119.300 0.071 0.000 2.656 291 C HA 0.294 4.754 4.460 -0.000 0.000 0.391 291 C C 1.631 176.482 174.990 -0.232 0.000 1.300 291 C CA -0.192 58.757 59.018 -0.115 0.000 2.302 291 C CB 0.609 28.187 27.740 -0.269 0.000 2.655 291 C HN 0.812 nan 8.230 nan 0.000 0.656 292 D N 1.583 121.795 120.400 -0.314 0.000 2.117 292 D HA -0.075 4.564 4.640 -0.000 0.000 0.197 292 D C 2.341 178.331 176.300 -0.515 0.000 0.987 292 D CA 2.168 56.044 54.000 -0.207 0.000 0.829 292 D CB -0.682 40.119 40.800 0.001 0.000 0.961 292 D HN 0.850 nan 8.370 nan 0.000 0.460 293 A N 0.872 123.070 122.820 -1.037 0.000 1.940 293 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 293 A C 2.390 179.695 177.584 -0.465 0.000 1.176 293 A CA 2.173 53.380 52.037 -1.383 0.000 0.631 293 A CB -1.083 17.114 19.000 -1.337 0.000 0.814 293 A HN 0.324 nan 8.150 nan 0.000 0.446 294 G N -0.911 107.717 108.800 -0.286 0.000 2.421 294 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 294 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 294 G C 1.688 176.600 174.900 0.020 0.000 1.143 294 G CA 0.952 46.027 45.100 -0.040 0.000 0.784 294 G HN 0.604 nan 8.290 nan 0.000 0.541 295 R N -1.170 119.236 120.500 -0.156 0.000 2.206 295 R HA 0.248 4.588 4.340 -0.000 0.000 0.198 295 R C 1.082 177.173 176.300 -0.348 0.000 0.986 295 R CA 0.272 56.208 56.100 -0.274 0.000 1.029 295 R CB -0.001 29.993 30.300 -0.510 0.000 0.966 295 R HN 0.310 nan 8.270 nan 0.000 0.487 296 F N -0.267 119.625 119.950 -0.098 0.000 2.706 296 F HA 0.403 4.930 4.527 -0.000 0.000 0.308 296 F C 1.263 176.989 175.800 -0.124 0.000 1.095 296 F CA -0.022 57.847 58.000 -0.219 0.000 1.244 296 F CB 1.025 39.583 39.000 -0.737 0.000 1.063 296 F HN 0.034 nan 8.300 nan 0.000 0.582 297 G N -0.192 108.757 108.800 0.248 0.000 3.860 297 G HA2 0.255 4.215 3.960 -0.000 0.000 0.269 297 G HA3 0.255 4.215 3.960 -0.000 0.000 0.269 297 G C -0.036 175.203 174.900 0.564 0.000 1.112 297 G CA -0.040 45.317 45.100 0.429 0.000 1.674 297 G HN 0.542 nan 8.290 nan 0.000 0.628 298 H N -2.880 116.426 119.070 0.393 0.000 3.182 298 H HA 0.284 4.840 4.556 -0.000 0.000 0.254 298 H C 1.196 176.505 175.328 -0.032 0.000 1.197 298 H CA -0.359 55.730 56.048 0.068 0.000 1.061 298 H CB 0.223 29.901 29.762 -0.140 0.000 1.722 298 H HN 0.193 nan 8.280 nan 0.000 0.662 299 E N 1.381 121.649 120.200 0.112 0.000 2.110 299 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 299 E C 1.339 178.062 176.600 0.206 0.000 0.988 299 E CA 1.529 58.027 56.400 0.163 0.000 0.804 299 E CB -0.183 29.613 29.700 0.161 0.000 0.745 299 E HN 0.801 nan 8.360 nan 0.000 0.458 300 W N 0.600 121.993 121.300 0.155 0.000 2.453 300 W HA 0.234 4.894 4.660 -0.000 0.000 0.289 300 W C 1.949 178.645 176.519 0.294 0.000 1.215 300 W CA 0.740 58.208 57.345 0.205 0.000 1.297 300 W CB -1.148 28.424 29.460 0.186 0.000 1.113 300 W HN -0.048 nan 8.180 nan 0.000 0.551 301 A N 2.845 125.121 122.820 -0.905 0.000 1.873 301 A HA -0.315 4.005 4.320 -0.000 0.000 0.218 301 A C 1.813 179.250 177.584 -0.246 0.000 1.193 301 A CA 2.652 54.230 52.037 -0.766 0.000 0.629 301 A CB -1.325 17.109 19.000 -0.944 0.000 0.826 301 A HN 0.474 nan 8.150 nan 0.000 0.447 302 D N -1.797 118.484 120.400 -0.198 0.000 2.340 302 D HA 0.011 4.651 4.640 -0.000 0.000 0.220 302 D C 1.422 177.695 176.300 -0.045 0.000 1.039 302 D CA 0.593 54.524 54.000 -0.116 0.000 0.866 302 D CB -0.064 40.661 40.800 -0.124 0.000 0.913 302 D HN 0.411 nan 8.370 nan 0.000 0.523 303 Q N 0.818 120.623 119.800 0.009 0.000 2.827 303 Q HA 0.149 4.489 4.340 -0.000 0.000 0.411 303 Q C -0.135 175.881 176.000 0.027 0.000 1.118 303 Q CA -0.022 55.807 55.803 0.044 0.000 0.461 303 Q CB -0.345 28.453 28.738 0.100 0.000 5.129 303 Q HN -0.053 nan 8.270 nan 0.000 0.316 304 N N 1.332 120.075 118.700 0.072 0.000 2.468 304 N HA 0.172 4.912 4.740 -0.000 0.000 0.265 304 N C -0.871 174.578 175.510 -0.101 0.000 1.199 304 N CA 0.386 53.455 53.050 0.033 0.000 0.928 304 N CB 0.372 38.915 38.487 0.094 0.000 1.059 304 N HN 0.266 nan 8.380 nan 0.000 0.467 305 R N 2.048 122.452 120.500 -0.161 0.000 2.629 305 R HA 0.242 4.582 4.340 -0.000 0.000 0.266 305 R C -1.497 174.719 176.300 -0.140 0.000 1.051 305 R CA -0.835 55.062 56.100 -0.338 0.000 0.895 305 R CB 1.039 31.117 30.300 -0.370 0.000 1.246 305 R HN 0.376 nan 8.270 nan 0.000 0.459 306 L N 3.891 125.052 121.223 -0.102 0.000 2.369 306 L HA 0.300 4.639 4.340 -0.000 0.000 0.279 306 L C 0.007 176.891 176.870 0.022 0.000 1.108 306 L CA 0.844 55.681 54.840 -0.003 0.000 0.852 306 L CB 0.603 42.687 42.059 0.042 0.000 1.169 306 L HN 0.685 nan 8.230 nan 0.000 0.452 307 K N 2.581 123.001 120.400 0.034 0.000 2.373 307 K HA 0.201 4.521 4.320 -0.000 0.000 0.200 307 K C -0.221 176.438 176.600 0.099 0.000 1.054 307 K CA 0.550 56.873 56.287 0.060 0.000 1.065 307 K CB 0.471 32.993 32.500 0.038 0.000 0.886 307 K HN 0.781 nan 8.250 nan 0.000 0.546 308 T N -0.145 114.457 114.554 0.080 0.000 2.971 308 T HA 0.316 4.666 4.350 -0.000 0.000 0.304 308 T C -3.107 171.597 174.700 0.006 0.000 1.038 308 T CA -2.352 59.795 62.100 0.078 0.000 1.007 308 T CB 2.356 71.260 68.868 0.060 0.000 1.055 308 T HN -0.239 nan 8.240 nan 0.000 0.451 309 P HA 0.227 nan 4.420 nan 0.000 0.266 309 P C -0.683 176.537 177.300 -0.134 0.000 1.195 309 P CA -0.310 62.648 63.100 -0.237 0.000 0.768 309 P CB 0.667 31.962 31.700 -0.675 0.000 0.838 310 L N 2.602 123.771 121.223 -0.090 0.000 2.346 310 L HA 0.681 5.021 4.340 -0.000 0.000 0.274 310 L C 0.241 177.092 176.870 -0.031 0.000 1.007 310 L CA -1.078 53.738 54.840 -0.040 0.000 0.818 310 L CB 2.202 44.257 42.059 -0.007 0.000 1.284 310 L HN 0.163 nan 8.230 nan 0.000 0.424 311 V N 2.949 122.860 119.914 -0.005 0.000 2.925 311 V HA 0.496 4.616 4.120 -0.000 0.000 0.311 311 V C -0.659 175.460 176.094 0.042 0.000 1.104 311 V CA -0.718 61.597 62.300 0.026 0.000 0.954 311 V CB 2.577 34.416 31.823 0.028 0.000 1.022 311 V HN 0.842 nan 8.190 nan 0.000 0.427 312 R N 3.802 124.344 120.500 0.070 0.000 2.298 312 R HA 0.381 4.721 4.340 -0.000 0.000 0.310 312 R C 0.088 176.419 176.300 0.052 0.000 1.068 312 R CA -0.095 56.047 56.100 0.070 0.000 0.957 312 R CB 1.160 31.527 30.300 0.112 0.000 1.003 312 R HN 0.821 nan 8.270 nan 0.000 0.454 313 K N 1.582 122.005 120.400 0.037 0.000 2.409 313 K HA 0.168 4.487 4.320 -0.000 0.000 0.237 313 K C -0.254 176.359 176.600 0.022 0.000 1.083 313 K CA 0.507 56.809 56.287 0.025 0.000 0.914 313 K CB 0.545 33.057 32.500 0.020 0.000 1.300 313 K HN 0.419 nan 8.250 nan 0.000 0.454 314 E N 0.943 121.156 120.200 0.021 0.000 2.490 314 E HA 0.228 4.578 4.350 -0.000 0.000 0.232 314 E C -0.283 176.330 176.600 0.022 0.000 1.091 314 E CA 0.084 56.494 56.400 0.018 0.000 1.050 314 E CB 0.402 30.110 29.700 0.014 0.000 1.342 314 E HN 0.691 nan 8.360 nan 0.000 0.454 315 G N 3.361 112.178 108.800 0.028 0.000 2.269 315 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.277 315 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.277 315 G C 0.325 175.245 174.900 0.032 0.000 1.008 315 G CA 1.262 46.380 45.100 0.030 0.000 0.774 315 G HN 0.477 nan 8.290 nan 0.000 0.511 316 R N -1.694 118.827 120.500 0.035 0.000 2.707 316 R HA 0.730 5.070 4.340 -0.000 0.000 0.272 316 R C -0.682 175.640 176.300 0.037 0.000 1.011 316 R CA -1.364 54.757 56.100 0.034 0.000 0.893 316 R CB 1.004 31.321 30.300 0.027 0.000 1.233 316 R HN 0.020 nan 8.270 nan 0.000 0.464 317 L N 1.976 123.221 121.223 0.036 0.000 2.350 317 L HA 0.595 4.935 4.340 -0.000 0.000 0.275 317 L C -0.047 176.838 176.870 0.026 0.000 1.099 317 L CA -0.777 54.082 54.840 0.033 0.000 0.808 317 L CB 1.175 43.253 42.059 0.032 0.000 1.149 317 L HN 0.513 nan 8.230 nan 0.000 0.442 318 V N 0.903 120.830 119.914 0.021 0.000 2.925 318 V HA 0.317 4.437 4.120 -0.000 0.000 0.311 318 V C -0.020 176.080 176.094 0.011 0.000 1.104 318 V CA -1.150 61.161 62.300 0.018 0.000 0.954 318 V CB 2.252 34.086 31.823 0.018 0.000 1.022 318 V HN 0.703 nan 8.190 nan 0.000 0.427 319 E N 1.689 121.896 120.200 0.012 0.000 2.534 319 E HA 0.371 4.720 4.350 -0.000 0.000 0.264 319 E C -0.045 176.559 176.600 0.005 0.000 0.981 319 E CA 0.552 56.958 56.400 0.009 0.000 0.948 319 E CB 0.632 30.344 29.700 0.019 0.000 0.934 319 E HN 0.930 nan 8.360 nan 0.000 0.459 320 A N 2.466 125.280 122.820 -0.009 0.000 2.589 320 A HA 0.419 4.739 4.320 -0.000 0.000 0.296 320 A C -0.443 177.138 177.584 -0.005 0.000 1.062 320 A CA -0.891 51.143 52.037 -0.006 0.000 0.686 320 A CB 1.507 20.496 19.000 -0.019 0.000 1.282 320 A HN 0.469 nan 8.150 nan 0.000 0.404 321 T N 0.653 115.233 114.554 0.043 0.000 2.860 321 T HA 0.154 4.504 4.350 -0.000 0.000 0.299 321 T C 0.839 175.605 174.700 0.110 0.000 1.045 321 T CA 0.312 62.476 62.100 0.107 0.000 1.071 321 T CB 0.298 69.243 68.868 0.129 0.000 0.985 321 T HN 0.629 nan 8.240 nan 0.000 0.537 322 W N 0.568 121.910 121.300 0.070 0.000 2.364 322 W HA -0.084 4.576 4.660 -0.000 0.000 0.281 322 W C 2.324 178.912 176.519 0.114 0.000 1.219 322 W CA 0.658 58.054 57.345 0.084 0.000 1.220 322 W CB -0.219 29.272 29.460 0.052 0.000 1.127 322 W HN 0.747 nan 8.180 nan 0.000 0.556 323 E N 0.377 120.759 120.200 0.303 0.000 2.023 323 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 323 E C 1.828 178.557 176.600 0.215 0.000 1.003 323 E CA 1.705 58.250 56.400 0.242 0.000 0.809 323 E CB -0.671 29.129 29.700 0.167 0.000 0.755 323 E HN 0.485 nan 8.360 nan 0.000 0.449 324 E N 0.870 121.153 120.200 0.138 0.000 2.058 324 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 324 E C 2.114 178.760 176.600 0.076 0.000 0.997 324 E CA 1.127 57.579 56.400 0.086 0.000 0.801 324 E CB -0.204 29.527 29.700 0.052 0.000 0.746 324 E HN 0.207 nan 8.360 nan 0.000 0.450 325 A N 1.412 124.266 122.820 0.056 0.000 1.883 325 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 325 A C 2.038 179.693 177.584 0.117 0.000 1.186 325 A CA 1.494 53.543 52.037 0.019 0.000 0.624 325 A CB -0.894 18.016 19.000 -0.150 0.000 0.822 325 A HN 0.350 nan 8.150 nan 0.000 0.444 326 F N 0.574 120.558 119.950 0.055 0.000 2.161 326 F HA -0.164 4.363 4.527 -0.000 0.000 0.300 326 F C 1.855 177.689 175.800 0.056 0.000 1.089 326 F CA 1.585 59.637 58.000 0.088 0.000 1.282 326 F CB -0.299 38.779 39.000 0.129 0.000 1.010 326 F HN 0.153 nan 8.300 nan 0.000 0.485 327 L N -0.393 120.782 121.223 -0.080 0.000 2.044 327 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 327 L C 2.786 179.556 176.870 -0.168 0.000 1.075 327 L CA 1.134 55.852 54.840 -0.202 0.000 0.747 327 L CB -1.215 40.809 42.059 -0.058 0.000 0.903 327 L HN 0.191 nan 8.230 nan 0.000 0.435 328 A N -0.174 122.608 122.820 -0.064 0.000 2.019 328 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 328 A C 2.193 179.764 177.584 -0.021 0.000 1.164 328 A CA 1.420 53.438 52.037 -0.033 0.000 0.644 328 A CB -0.539 18.481 19.000 0.032 0.000 0.805 328 A HN 0.342 nan 8.150 nan 0.000 0.449 329 L N -0.340 120.881 121.223 -0.003 0.000 2.027 329 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 329 L C 2.261 179.041 176.870 -0.150 0.000 1.074 329 L CA 2.160 57.036 54.840 0.061 0.000 0.745 329 L CB -0.409 41.720 42.059 0.115 0.000 0.898 329 L HN 0.292 nan 8.230 nan 0.000 0.433 330 K N -0.639 119.579 120.400 -0.304 0.000 2.074 330 K HA -0.277 4.043 4.320 -0.000 0.000 0.209 330 K C 2.068 178.484 176.600 -0.307 0.000 1.048 330 K CA 1.767 57.849 56.287 -0.341 0.000 0.926 330 K CB -0.144 32.099 32.500 -0.428 0.000 0.713 330 K HN 0.324 nan 8.250 nan 0.000 0.444 331 E N 0.264 120.285 120.200 -0.298 0.000 2.051 331 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 331 E C 1.819 178.148 176.600 -0.452 0.000 0.991 331 E CA 1.747 57.966 56.400 -0.301 0.000 0.799 331 E CB -0.535 29.029 29.700 -0.227 0.000 0.748 331 E HN 0.298 nan 8.360 nan 0.000 0.449 332 G N -0.426 107.919 108.800 -0.758 0.000 2.625 332 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.214 332 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.214 332 G C 1.149 175.448 174.900 -1.002 0.000 1.132 332 G CA 0.675 44.989 45.100 -1.310 0.000 0.782 332 G HN 0.317 nan 8.290 nan 0.000 0.538 333 L N -1.182 119.647 121.223 -0.657 0.000 2.966 333 L HA 0.302 4.641 4.340 -0.000 0.000 0.262 333 L C 2.198 178.847 176.870 -0.370 0.000 1.165 333 L CA -0.088 54.438 54.840 -0.523 0.000 0.978 333 L CB 0.314 42.187 42.059 -0.310 0.000 1.337 333 L HN 0.086 nan 8.230 nan 0.000 0.563 334 K N 1.681 121.896 120.400 -0.309 0.000 2.009 334 K HA -0.128 4.192 4.320 -0.000 0.000 0.210 334 K C 0.434 176.922 176.600 -0.187 0.000 1.049 334 K CA 1.306 57.468 56.287 -0.209 0.000 0.929 334 K CB 0.148 32.540 32.500 -0.179 0.000 0.714 334 K HN 0.251 nan 8.250 nan 0.000 0.440 335 E N 0.968 121.043 120.200 -0.208 0.000 1.892 335 E HA 0.236 4.586 4.350 -0.000 0.000 0.271 335 E C -1.173 175.312 176.600 -0.193 0.000 1.146 335 E CA -0.305 56.011 56.400 -0.140 0.000 1.096 335 E CB 0.873 30.523 29.700 -0.083 0.000 1.155 335 E HN 0.312 nan 8.360 nan 0.000 0.458 336 A N 3.175 125.890 122.820 -0.176 0.000 2.491 336 A HA 0.359 4.678 4.320 -0.000 0.000 0.293 336 A C -0.698 176.882 177.584 -0.006 0.000 1.047 336 A CA -1.167 50.777 52.037 -0.155 0.000 0.735 336 A CB 1.133 19.801 19.000 -0.553 0.000 1.281 336 A HN 0.382 nan 8.150 nan 0.000 0.398 337 R N 2.048 122.612 120.500 0.107 0.000 2.265 337 R HA 0.387 4.727 4.340 -0.000 0.000 0.314 337 R C 0.798 177.155 176.300 0.095 0.000 1.053 337 R CA -0.181 55.968 56.100 0.082 0.000 0.931 337 R CB 0.108 30.459 30.300 0.085 0.000 1.024 337 R HN 1.052 nan 8.270 nan 0.000 0.457 338 G N 1.491 110.326 108.800 0.057 0.000 2.601 338 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.214 338 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.214 338 G C 0.840 175.780 174.900 0.067 0.000 1.132 338 G CA 0.241 45.375 45.100 0.056 0.000 0.761 338 G HN 0.774 nan 8.290 nan 0.000 0.550 339 E N -0.157 120.092 120.200 0.081 0.000 2.389 339 E HA 0.011 4.360 4.350 -0.000 0.000 0.199 339 E C 1.334 178.016 176.600 0.136 0.000 0.978 339 E CA -0.028 56.411 56.400 0.064 0.000 0.912 339 E CB 0.241 29.963 29.700 0.037 0.000 0.907 339 E HN 0.267 nan 8.360 nan 0.000 0.494 340 E N 0.649 120.966 120.200 0.196 0.000 2.489 340 E HA 0.051 4.401 4.350 -0.000 0.000 0.193 340 E C 0.284 177.058 176.600 0.291 0.000 1.057 340 E CA -0.005 56.552 56.400 0.261 0.000 0.866 340 E CB 0.515 30.345 29.700 0.218 0.000 0.916 340 E HN 0.035 nan 8.360 nan 0.000 0.500 341 V N 0.688 120.754 119.914 0.254 0.000 2.614 341 V HA 0.400 4.520 4.120 -0.000 0.000 0.291 341 V C 0.811 176.999 176.094 0.158 0.000 1.049 341 V CA -0.180 62.240 62.300 0.200 0.000 1.038 341 V CB 1.355 33.257 31.823 0.132 0.000 0.980 341 V HN 0.116 nan 8.190 nan 0.000 0.481 342 G N 4.468 113.278 108.800 0.017 0.000 2.530 342 G HA2 0.680 4.639 3.960 -0.000 0.000 0.316 342 G HA3 0.680 4.639 3.960 -0.000 0.000 0.316 342 G C -1.168 173.491 174.900 -0.401 0.000 1.298 342 G CA -0.643 44.309 45.100 -0.247 0.000 0.948 342 G HN 0.600 nan 8.290 nan 0.000 0.486 343 L N 2.057 122.990 121.223 -0.483 0.000 2.325 343 L HA 0.463 4.803 4.340 -0.000 0.000 0.281 343 L C -1.221 175.490 176.870 -0.264 0.000 1.004 343 L CA -0.834 53.872 54.840 -0.223 0.000 0.823 343 L CB 1.653 43.689 42.059 -0.039 0.000 1.236 343 L HN 0.553 nan 8.230 nan 0.000 0.415 344 Y N 3.957 124.451 120.300 0.323 0.000 2.402 344 Y HA 0.442 4.992 4.550 -0.000 0.000 0.325 344 Y C 0.032 176.288 175.900 0.594 0.000 1.009 344 Y CA -0.833 57.526 58.100 0.431 0.000 1.278 344 Y CB 1.400 40.092 38.460 0.388 0.000 1.105 344 Y HN 0.383 nan 8.280 nan 0.000 0.476 345 L N 2.360 124.000 121.223 0.695 0.000 2.479 345 L HA 0.733 5.073 4.340 -0.000 0.000 0.249 345 L C 0.625 177.816 176.870 0.536 0.000 1.178 345 L CA -1.046 54.142 54.840 0.579 0.000 0.811 345 L CB 0.573 42.864 42.059 0.386 0.000 1.187 345 L HN 0.592 nan 8.230 nan 0.000 0.480 346 A N -1.212 121.810 122.820 0.338 0.000 2.279 346 A HA 0.273 4.593 4.320 -0.000 0.000 0.303 346 A C 0.818 178.355 177.584 -0.079 0.000 1.108 346 A CA -0.200 51.900 52.037 0.105 0.000 0.830 346 A CB 0.180 19.238 19.000 0.097 0.000 1.106 346 A HN 0.970 nan 8.150 nan 0.000 0.493 347 H N -0.274 118.655 119.070 -0.236 0.000 2.460 347 H HA -0.123 4.433 4.556 -0.000 0.000 0.297 347 H C 0.212 175.425 175.328 -0.192 0.000 1.103 347 H CA 1.787 57.704 56.048 -0.218 0.000 1.292 347 H CB -0.228 29.365 29.762 -0.282 0.000 1.376 347 H HN 0.621 nan 8.280 nan 0.000 0.531 348 D N 0.406 120.325 120.400 -0.802 0.000 2.895 348 D HA 0.353 4.992 4.640 -0.000 0.000 0.258 348 D C -0.094 176.040 176.300 -0.276 0.000 1.311 348 D CA -0.226 53.427 54.000 -0.578 0.000 0.843 348 D CB 0.130 40.498 40.800 -0.719 0.000 1.055 348 D HN 0.618 nan 8.370 nan 0.000 0.486 349 A N 0.930 123.636 122.820 -0.190 0.000 2.401 349 A HA 0.497 4.817 4.320 -0.000 0.000 0.259 349 A C 1.093 178.614 177.584 -0.104 0.000 1.103 349 A CA -0.393 51.595 52.037 -0.082 0.000 0.789 349 A CB 0.081 19.075 19.000 -0.011 0.000 1.035 349 A HN 0.448 nan 8.150 nan 0.000 0.491 350 T N 0.493 115.005 114.554 -0.071 0.000 2.680 350 T HA 0.114 4.464 4.350 -0.000 0.000 0.314 350 T C 1.072 175.720 174.700 -0.086 0.000 1.045 350 T CA 0.126 62.179 62.100 -0.078 0.000 1.025 350 T CB 0.151 68.973 68.868 -0.078 0.000 1.000 350 T HN 0.480 nan 8.240 nan 0.000 0.535 351 L N 0.617 121.800 121.223 -0.066 0.000 2.156 351 L HA 0.120 4.459 4.340 -0.000 0.000 0.208 351 L C 2.512 179.321 176.870 -0.101 0.000 1.095 351 L CA 1.672 56.476 54.840 -0.060 0.000 0.770 351 L CB -1.180 40.884 42.059 0.009 0.000 0.914 351 L HN 0.790 nan 8.230 nan 0.000 0.439 352 E N -0.419 119.705 120.200 -0.128 0.000 2.046 352 E HA -0.160 4.190 4.350 -0.000 0.000 0.190 352 E C 2.054 178.477 176.600 -0.294 0.000 0.982 352 E CA 1.231 57.491 56.400 -0.233 0.000 0.800 352 E CB -0.199 29.395 29.700 -0.178 0.000 0.756 352 E HN 0.476 nan 8.360 nan 0.000 0.449 353 E N 0.002 120.099 120.200 -0.172 0.000 2.209 353 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 353 E C 1.982 178.523 176.600 -0.098 0.000 0.993 353 E CA 0.927 57.255 56.400 -0.120 0.000 0.819 353 E CB -0.163 29.521 29.700 -0.026 0.000 0.745 353 E HN 0.367 nan 8.360 nan 0.000 0.477 354 G N 0.970 109.712 108.800 -0.097 0.000 2.411 354 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.213 354 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.213 354 G C 1.483 176.346 174.900 -0.062 0.000 1.166 354 G CA 0.044 45.115 45.100 -0.049 0.000 0.802 354 G HN 0.130 nan 8.290 nan 0.000 0.533 355 L N 0.618 121.761 121.223 -0.132 0.000 2.046 355 L HA 0.062 4.402 4.340 -0.000 0.000 0.208 355 L C 2.487 179.298 176.870 -0.098 0.000 1.077 355 L CA 1.568 56.344 54.840 -0.108 0.000 0.747 355 L CB -0.678 41.302 42.059 -0.131 0.000 0.896 355 L HN 0.201 nan 8.230 nan 0.000 0.432 356 L N 0.455 121.464 121.223 -0.357 0.000 1.994 356 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 356 L C 2.466 179.356 176.870 0.033 0.000 1.071 356 L CA 2.321 57.067 54.840 -0.156 0.000 0.745 356 L CB -1.468 40.410 42.059 -0.300 0.000 0.892 356 L HN 0.247 nan 8.230 nan 0.000 0.431 357 A N -1.448 121.357 122.820 -0.024 0.000 2.131 357 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 357 A C 2.465 180.078 177.584 0.048 0.000 1.158 357 A CA 1.761 53.803 52.037 0.007 0.000 0.665 357 A CB -0.946 18.065 19.000 0.018 0.000 0.795 357 A HN 0.642 nan 8.150 nan 0.000 0.460 358 S N -0.472 115.265 115.700 0.061 0.000 2.329 358 S HA -0.125 4.345 4.470 -0.000 0.000 0.215 358 S C 1.919 176.567 174.600 0.081 0.000 1.031 358 S CA 1.236 59.482 58.200 0.076 0.000 0.985 358 S CB -0.340 62.903 63.200 0.072 0.000 0.917 358 S HN 0.569 nan 8.310 nan 0.000 0.441 359 E N 1.218 121.485 120.200 0.112 0.000 2.160 359 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 359 E C 2.076 178.722 176.600 0.077 0.000 0.991 359 E CA 0.828 57.290 56.400 0.102 0.000 0.810 359 E CB -0.681 29.105 29.700 0.143 0.000 0.742 359 E HN 0.519 nan 8.360 nan 0.000 0.466 360 L N 0.492 121.764 121.223 0.082 0.000 2.201 360 L HA -0.023 4.317 4.340 -0.000 0.000 0.212 360 L C 1.973 178.865 176.870 0.037 0.000 1.105 360 L CA 1.769 56.641 54.840 0.054 0.000 0.775 360 L CB -0.236 41.847 42.059 0.039 0.000 0.913 360 L HN 0.019 nan 8.230 nan 0.000 0.440 361 A N -1.440 121.404 122.820 0.040 0.000 2.267 361 A HA 0.034 4.354 4.320 -0.000 0.000 0.213 361 A C 2.207 179.809 177.584 0.030 0.000 1.192 361 A CA 0.653 52.709 52.037 0.032 0.000 0.851 361 A CB -0.268 18.753 19.000 0.034 0.000 0.881 361 A HN 0.455 nan 8.150 nan 0.000 0.494 362 K N 0.214 120.637 120.400 0.037 0.000 1.995 362 K HA 0.121 4.441 4.320 -0.000 0.000 0.207 362 K C 2.183 178.797 176.600 0.023 0.000 1.041 362 K CA 1.110 57.416 56.287 0.032 0.000 0.942 362 K CB -0.360 32.163 32.500 0.038 0.000 0.731 362 K HN 0.216 nan 8.250 nan 0.000 0.439 363 A N 1.358 124.191 122.820 0.023 0.000 1.865 363 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 363 A C 1.271 178.865 177.584 0.017 0.000 1.191 363 A CA 1.204 53.251 52.037 0.016 0.000 0.623 363 A CB -0.763 18.245 19.000 0.014 0.000 0.826 363 A HN 0.414 nan 8.150 nan 0.000 0.444 364 L N 1.508 122.743 121.223 0.021 0.000 2.451 364 L HA 0.158 4.497 4.340 -0.000 0.000 0.272 364 L C -0.117 176.765 176.870 0.020 0.000 1.258 364 L CA -0.007 54.847 54.840 0.023 0.000 1.132 364 L CB -1.103 40.972 42.059 0.027 0.000 1.361 364 L HN 0.189 nan 8.230 nan 0.000 0.438 365 K N 3.030 123.439 120.400 0.015 0.000 2.166 365 K HA -0.007 4.313 4.320 -0.000 0.000 0.258 365 K C 0.226 176.824 176.600 -0.005 0.000 1.207 365 K CA 0.476 56.767 56.287 0.006 0.000 1.227 365 K CB -0.397 32.106 32.500 0.005 0.000 0.872 365 K HN 0.653 nan 8.250 nan 0.000 0.426 366 T N 1.769 116.312 114.554 -0.018 0.000 2.903 366 T HA 0.421 4.770 4.350 -0.000 0.000 0.299 366 T C -2.056 172.575 174.700 -0.115 0.000 1.093 366 T CA -1.815 60.247 62.100 -0.064 0.000 1.002 366 T CB 1.523 70.385 68.868 -0.010 0.000 1.127 366 T HN 0.255 nan 8.240 nan 0.000 0.488 367 P HA 0.180 nan 4.420 nan 0.000 0.223 367 P C -0.321 176.877 177.300 -0.169 0.000 1.148 367 P CA 0.453 63.409 63.100 -0.239 0.000 0.870 367 P CB 0.029 31.533 31.700 -0.327 0.000 0.859 368 H N 1.586 120.680 119.070 0.039 0.000 2.818 368 H HA 0.574 5.130 4.556 -0.000 0.000 0.269 368 H C 0.170 175.466 175.328 -0.052 0.000 1.277 368 H CA -1.206 54.875 56.048 0.054 0.000 1.290 368 H CB -0.710 29.120 29.762 0.114 0.000 1.479 368 H HN 0.076 nan 8.280 nan 0.000 0.507 369 L N 0.435 121.732 121.223 0.122 0.000 2.385 369 L HA 0.796 5.136 4.340 -0.000 0.000 0.273 369 L C -1.387 175.627 176.870 0.241 0.000 0.990 369 L CA -0.724 54.163 54.840 0.077 0.000 0.821 369 L CB 2.307 44.412 42.059 0.078 0.000 1.279 369 L HN 0.359 nan 8.230 nan 0.000 0.412 370 D N 2.497 123.133 120.400 0.395 0.000 2.626 370 D HA 0.598 5.238 4.640 -0.000 0.000 0.278 370 D C -1.568 175.039 176.300 0.512 0.000 1.211 370 D CA -0.155 54.105 54.000 0.434 0.000 0.903 370 D CB 2.327 43.459 40.800 0.553 0.000 1.408 370 D HN 0.501 nan 8.370 nan 0.000 0.454 371 F N -0.380 119.785 119.950 0.358 0.000 2.563 371 F HA 0.443 4.970 4.527 -0.000 0.000 0.316 371 F C 1.460 177.157 175.800 -0.173 0.000 1.076 371 F CA -0.844 57.263 58.000 0.179 0.000 0.921 371 F CB 1.348 40.403 39.000 0.093 0.000 1.209 371 F HN 0.360 nan 8.300 nan 0.000 0.462 372 Q N 2.184 121.834 119.800 -0.250 0.000 2.103 372 Q HA -0.186 4.154 4.340 -0.000 0.000 0.213 372 Q C 1.739 176.754 176.000 -1.642 0.000 1.008 372 Q CA 2.771 57.837 55.803 -1.229 0.000 0.879 372 Q CB -0.680 27.249 28.738 -1.348 0.000 0.946 372 Q HN 1.139 nan 8.270 nan 0.000 0.413 373 G N 0.098 108.515 108.800 -0.638 0.000 3.141 373 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.218 373 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.218 373 G C 0.072 174.907 174.900 -0.108 0.000 1.170 373 G CA -0.468 44.359 45.100 -0.456 0.000 0.769 373 G HN 0.222 nan 8.290 nan 0.000 0.546 374 R N 2.064 122.392 120.500 -0.286 0.000 2.486 374 R HA -0.015 4.325 4.340 -0.000 0.000 0.304 374 R C 0.027 176.446 176.300 0.197 0.000 0.913 374 R CA 0.678 56.633 56.100 -0.242 0.000 1.124 374 R CB -0.068 29.940 30.300 -0.486 0.000 0.891 374 R HN 0.202 nan 8.270 nan 0.000 0.410 375 T N 1.928 116.583 114.554 0.169 0.000 2.869 375 T HA 0.311 4.661 4.350 -0.000 0.000 0.295 375 T C 1.528 176.309 174.700 0.136 0.000 0.987 375 T CA -0.341 61.861 62.100 0.170 0.000 1.109 375 T CB 1.832 70.801 68.868 0.168 0.000 0.932 375 T HN 0.600 nan 8.240 nan 0.000 0.518 376 A N 2.647 125.537 122.820 0.115 0.000 1.948 376 A HA 0.263 4.583 4.320 -0.000 0.000 0.220 376 A C 1.629 179.266 177.584 0.089 0.000 1.177 376 A CA 1.208 53.294 52.037 0.081 0.000 0.636 376 A CB -0.939 18.099 19.000 0.063 0.000 0.815 376 A HN 1.373 nan 8.150 nan 0.000 0.449 377 A N 0.227 123.117 122.820 0.118 0.000 2.273 377 A HA 0.603 4.923 4.320 -0.000 0.000 0.320 377 A C -2.786 174.910 177.584 0.186 0.000 1.358 377 A CA -1.826 50.293 52.037 0.137 0.000 0.910 377 A CB 0.189 19.290 19.000 0.168 0.000 1.159 377 A HN 0.138 nan 8.150 nan 0.000 0.526 378 P HA 0.050 nan 4.420 nan 0.000 0.261 378 P C 0.998 178.445 177.300 0.245 0.000 1.183 378 P CA 0.667 63.879 63.100 0.187 0.000 0.761 378 P CB 0.935 32.711 31.700 0.127 0.000 0.785 379 A N 3.399 126.381 122.820 0.269 0.000 2.070 379 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 379 A C 2.026 179.791 177.584 0.301 0.000 1.159 379 A CA 1.651 53.870 52.037 0.305 0.000 0.656 379 A CB -1.115 17.993 19.000 0.180 0.000 0.800 379 A HN 0.491 nan 8.150 nan 0.000 0.453 380 S N 0.051 115.854 115.700 0.173 0.000 2.507 380 S HA -0.042 4.428 4.470 -0.000 0.000 0.235 380 S C 1.662 176.223 174.600 -0.065 0.000 0.988 380 S CA 0.472 58.687 58.200 0.025 0.000 0.944 380 S CB -0.269 62.851 63.200 -0.134 0.000 0.762 380 S HN 0.434 nan 8.310 nan 0.000 0.526 381 L N 0.983 122.185 121.223 -0.036 0.000 1.963 381 L HA -0.073 4.267 4.340 -0.000 0.000 0.220 381 L C 0.448 177.155 176.870 -0.271 0.000 1.076 381 L CA 1.791 56.465 54.840 -0.277 0.000 0.772 381 L CB -1.332 40.342 42.059 -0.642 0.000 0.892 381 L HN 0.269 nan 8.230 nan 0.000 0.435 382 F N 0.757 120.698 119.950 -0.015 0.000 2.389 382 F HA 0.293 4.820 4.527 -0.000 0.000 0.337 382 F C -1.598 174.203 175.800 0.003 0.000 1.112 382 F CA -3.091 54.910 58.000 0.003 0.000 1.192 382 F CB -0.959 38.051 39.000 0.017 0.000 1.185 382 F HN 0.072 nan 8.300 nan 0.000 0.552 383 P HA 0.141 nan 4.420 nan 0.000 0.276 383 P C -2.653 174.719 177.300 0.118 0.000 1.264 383 P CA -1.284 61.885 63.100 0.115 0.000 0.769 383 P CB 0.329 32.083 31.700 0.090 0.000 0.840 384 P HA 0.043 nan 4.420 nan 0.000 0.264 384 P C -0.329 177.005 177.300 0.056 0.000 1.183 384 P CA 0.644 63.788 63.100 0.074 0.000 0.763 384 P CB 0.307 32.050 31.700 0.070 0.000 0.807 385 A N 2.780 125.623 122.820 0.038 0.000 2.303 385 A HA 0.506 4.825 4.320 -0.000 0.000 0.320 385 A C 0.357 177.948 177.584 0.011 0.000 1.192 385 A CA -0.442 51.611 52.037 0.025 0.000 0.821 385 A CB 0.681 19.692 19.000 0.017 0.000 1.188 385 A HN 0.439 nan 8.150 nan 0.000 0.492 386 S N 1.283 116.990 115.700 0.012 0.000 2.579 386 S HA 0.213 4.683 4.470 -0.000 0.000 0.275 386 S C 1.048 175.647 174.600 -0.002 0.000 1.345 386 S CA -0.515 57.690 58.200 0.009 0.000 1.031 386 S CB 0.122 63.330 63.200 0.014 0.000 0.892 386 S HN 0.584 nan 8.310 nan 0.000 0.529 387 L N 3.467 124.691 121.223 0.002 0.000 2.275 387 L HA 0.074 4.414 4.340 -0.000 0.000 0.215 387 L C 2.342 179.216 176.870 0.007 0.000 1.119 387 L CA 1.611 56.450 54.840 -0.001 0.000 0.790 387 L CB -1.100 40.967 42.059 0.012 0.000 0.919 387 L HN 0.852 nan 8.230 nan 0.000 0.443 388 E N -0.153 120.056 120.200 0.015 0.000 2.031 388 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 388 E C 1.751 178.361 176.600 0.017 0.000 0.994 388 E CA 1.618 58.032 56.400 0.023 0.000 0.800 388 E CB 0.007 29.720 29.700 0.022 0.000 0.752 388 E HN 0.411 nan 8.360 nan 0.000 0.447 389 D N 0.255 120.659 120.400 0.006 0.000 2.133 389 D HA -0.197 4.443 4.640 -0.000 0.000 0.195 389 D C 2.007 178.294 176.300 -0.022 0.000 0.997 389 D CA 0.998 54.998 54.000 0.001 0.000 0.840 389 D CB -0.525 40.276 40.800 0.000 0.000 0.947 389 D HN 0.209 nan 8.370 nan 0.000 0.452 390 L N 0.660 121.845 121.223 -0.062 0.000 2.129 390 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 390 L C 2.056 178.823 176.870 -0.172 0.000 1.087 390 L CA 1.416 56.151 54.840 -0.176 0.000 0.757 390 L CB -0.414 41.532 42.059 -0.189 0.000 0.896 390 L HN 0.046 nan 8.230 nan 0.000 0.434 391 L N -1.325 119.906 121.223 0.013 0.000 2.240 391 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 391 L C 2.125 179.124 176.870 0.216 0.000 1.106 391 L CA 0.820 55.766 54.840 0.177 0.000 0.793 391 L CB -0.323 41.818 42.059 0.137 0.000 0.927 391 L HN 0.428 nan 8.230 nan 0.000 0.446 392 Q N -0.247 119.624 119.800 0.119 0.000 2.319 392 Q HA 0.253 4.593 4.340 -0.000 0.000 0.202 392 Q C 0.786 176.855 176.000 0.115 0.000 0.896 392 Q CA -0.156 55.711 55.803 0.106 0.000 0.942 392 Q CB 0.583 29.355 28.738 0.057 0.000 1.083 392 Q HN 0.372 nan 8.270 nan 0.000 0.510 393 A N 1.336 124.229 122.820 0.122 0.000 2.346 393 A HA 0.037 4.357 4.320 -0.000 0.000 0.255 393 A C 0.361 178.100 177.584 0.259 0.000 1.113 393 A CA 0.027 52.136 52.037 0.120 0.000 0.798 393 A CB 0.300 19.310 19.000 0.017 0.000 1.073 393 A HN 0.127 nan 8.150 nan 0.000 0.502 394 D N -1.804 118.730 120.400 0.224 0.000 2.474 394 D HA 0.277 4.917 4.640 -0.000 0.000 0.213 394 D C -0.985 175.557 176.300 0.403 0.000 1.120 394 D CA 0.723 54.870 54.000 0.246 0.000 0.836 394 D CB 0.641 41.513 40.800 0.121 0.000 1.019 394 D HN 0.314 nan 8.370 nan 0.000 0.507 395 F N 0.866 120.957 119.950 0.234 0.000 2.703 395 F HA 0.491 5.018 4.527 -0.000 0.000 0.308 395 F C -1.873 174.077 175.800 0.250 0.000 1.126 395 F CA -1.125 57.038 58.000 0.271 0.000 0.959 395 F CB 1.531 40.617 39.000 0.144 0.000 1.297 395 F HN -0.226 nan 8.300 nan 0.000 0.441 396 A N 4.637 127.077 122.820 -0.634 0.000 2.363 396 A HA 0.663 4.982 4.320 -0.000 0.000 0.296 396 A C -2.225 175.056 177.584 -0.504 0.000 1.237 396 A CA -0.502 51.289 52.037 -0.409 0.000 0.773 396 A CB 0.868 19.703 19.000 -0.274 0.000 1.153 396 A HN 0.717 nan 8.150 nan 0.000 0.473 397 L N 4.362 125.568 121.223 -0.029 0.000 2.259 397 L HA 0.597 4.936 4.340 -0.000 0.000 0.288 397 L C -0.860 176.046 176.870 0.059 0.000 1.051 397 L CA -0.072 54.857 54.840 0.149 0.000 0.824 397 L CB 1.096 43.408 42.059 0.423 0.000 1.206 397 L HN 0.374 nan 8.230 nan 0.000 0.429 398 V N 6.644 126.564 119.914 0.011 0.000 2.459 398 V HA 0.440 4.560 4.120 -0.000 0.000 0.295 398 V C -0.372 175.761 176.094 0.066 0.000 1.029 398 V CA -0.463 61.834 62.300 -0.005 0.000 0.874 398 V CB 1.622 33.406 31.823 -0.065 0.000 0.985 398 V HN 0.514 nan 8.190 nan 0.000 0.438 399 L N 5.098 126.351 121.223 0.051 0.000 2.457 399 L HA 0.874 5.214 4.340 -0.000 0.000 0.252 399 L C 0.394 177.293 176.870 0.049 0.000 1.132 399 L CA 0.357 55.251 54.840 0.089 0.000 0.938 399 L CB 1.096 43.181 42.059 0.042 0.000 1.246 399 L HN 0.953 nan 8.230 nan 0.000 0.476 400 G N 0.175 108.997 108.800 0.037 0.000 2.353 400 G HA2 0.193 4.153 3.960 -0.000 0.000 0.308 400 G HA3 0.193 4.153 3.960 -0.000 0.000 0.308 400 G C -2.080 172.786 174.900 -0.057 0.000 1.418 400 G CA -0.955 44.138 45.100 -0.011 0.000 0.966 400 G HN 0.112 nan 8.290 nan 0.000 0.638 401 D N 0.723 121.084 120.400 -0.066 0.000 2.443 401 D HA 0.572 5.212 4.640 -0.000 0.000 0.221 401 D C -1.134 175.177 176.300 0.018 0.000 1.097 401 D CA -2.263 51.715 54.000 -0.037 0.000 0.865 401 D CB 1.914 42.721 40.800 0.011 0.000 1.034 401 D HN -0.022 nan 8.370 nan 0.000 0.511 402 P HA -0.109 nan 4.420 nan 0.000 0.216 402 P C 1.165 178.532 177.300 0.111 0.000 1.150 402 P CA 1.098 64.219 63.100 0.035 0.000 0.837 402 P CB 0.247 31.950 31.700 0.005 0.000 0.786 403 T N -0.717 113.939 114.554 0.170 0.000 2.946 403 T HA -0.118 4.232 4.350 -0.000 0.000 0.271 403 T C 1.275 176.048 174.700 0.121 0.000 1.104 403 T CA 1.175 63.431 62.100 0.260 0.000 1.114 403 T CB -0.309 68.748 68.868 0.315 0.000 0.867 403 T HN 0.273 nan 8.240 nan 0.000 0.513 404 E N 0.431 120.683 120.200 0.086 0.000 2.357 404 E HA 0.093 4.442 4.350 -0.000 0.000 0.202 404 E C 2.164 178.756 176.600 -0.014 0.000 0.855 404 E CA 0.233 56.648 56.400 0.026 0.000 1.048 404 E CB -0.033 29.708 29.700 0.067 0.000 1.037 404 E HN 0.514 nan 8.360 nan 0.000 0.499 405 E N 1.358 121.558 120.200 0.000 0.000 2.072 405 E HA -0.003 4.347 4.350 -0.000 0.000 0.191 405 E C 0.571 177.153 176.600 -0.030 0.000 0.985 405 E CA 0.996 57.379 56.400 -0.028 0.000 0.801 405 E CB 0.249 29.935 29.700 -0.024 0.000 0.750 405 E HN 0.037 nan 8.360 nan 0.000 0.452 406 A N 0.972 123.792 122.820 -0.001 0.000 3.156 406 A HA 0.323 4.643 4.320 -0.000 0.000 0.311 406 A C -2.289 175.334 177.584 0.064 0.000 1.129 406 A CA -1.092 50.950 52.037 0.008 0.000 0.809 406 A CB 0.583 19.582 19.000 -0.002 0.000 1.257 406 A HN -0.135 nan 8.150 nan 0.000 0.491 407 P HA -0.248 nan 4.420 nan 0.000 0.214 407 P C 1.497 178.997 177.300 0.334 0.000 1.164 407 P CA 1.241 64.476 63.100 0.224 0.000 0.942 407 P CB 0.158 31.903 31.700 0.075 0.000 0.791 408 I N -1.482 119.238 120.570 0.251 0.000 2.367 408 I HA -0.233 3.937 4.170 -0.000 0.000 0.256 408 I C 2.228 178.413 176.117 0.114 0.000 1.132 408 I CA 1.171 62.584 61.300 0.189 0.000 1.397 408 I CB -1.143 36.944 38.000 0.146 0.000 1.074 408 I HN -0.057 nan 8.210 nan 0.000 0.435 409 L N -1.022 120.264 121.223 0.104 0.000 2.042 409 L HA -0.329 4.011 4.340 -0.000 0.000 0.210 409 L C 2.502 179.418 176.870 0.077 0.000 1.076 409 L CA 1.985 56.862 54.840 0.062 0.000 0.749 409 L CB -0.905 41.172 42.059 0.030 0.000 0.893 409 L HN 0.393 nan 8.230 nan 0.000 0.432 410 H N 0.328 119.383 119.070 -0.025 0.000 2.292 410 H HA -0.241 4.315 4.556 -0.000 0.000 0.292 410 H C 2.260 177.510 175.328 -0.129 0.000 1.100 410 H CA 2.022 58.010 56.048 -0.099 0.000 1.238 410 H CB 0.042 29.725 29.762 -0.133 0.000 1.355 410 H HN 0.221 nan 8.280 nan 0.000 0.484 411 L N -0.172 121.055 121.223 0.007 0.000 2.201 411 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 411 L C 2.526 179.433 176.870 0.062 0.000 1.105 411 L CA 0.683 55.483 54.840 -0.066 0.000 0.775 411 L CB -0.338 41.583 42.059 -0.231 0.000 0.913 411 L HN 0.320 nan 8.230 nan 0.000 0.440 412 R N 0.480 121.032 120.500 0.085 0.000 2.093 412 R HA 0.030 4.370 4.340 -0.000 0.000 0.224 412 R C 2.176 178.564 176.300 0.146 0.000 1.101 412 R CA 0.855 57.018 56.100 0.105 0.000 0.979 412 R CB -0.720 29.621 30.300 0.068 0.000 0.877 412 R HN 0.371 nan 8.270 nan 0.000 0.441 413 L N 0.872 122.181 121.223 0.143 0.000 2.275 413 L HA -0.077 4.263 4.340 -0.000 0.000 0.215 413 L C 2.519 179.596 176.870 0.345 0.000 1.119 413 L CA 0.996 55.987 54.840 0.251 0.000 0.790 413 L CB -0.354 41.789 42.059 0.141 0.000 0.919 413 L HN 0.189 nan 8.230 nan 0.000 0.443 414 S N -0.136 115.747 115.700 0.304 0.000 2.371 414 S HA -0.178 4.292 4.470 -0.000 0.000 0.224 414 S C 1.821 176.425 174.600 0.007 0.000 1.029 414 S CA 1.124 59.434 58.200 0.183 0.000 0.978 414 S CB -0.021 63.292 63.200 0.189 0.000 0.833 414 S HN 0.428 nan 8.310 nan 0.000 0.466 415 E N -0.622 119.631 120.200 0.089 0.000 2.204 415 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 415 E C 1.615 178.280 176.600 0.109 0.000 0.989 415 E CA 0.895 57.348 56.400 0.087 0.000 0.824 415 E CB -0.160 29.623 29.700 0.139 0.000 0.756 415 E HN 0.686 nan 8.360 nan 0.000 0.477 416 F N 0.595 120.546 119.950 0.001 0.000 2.187 416 F HA -0.100 4.427 4.527 -0.000 0.000 0.295 416 F C 1.889 177.672 175.800 -0.028 0.000 1.091 416 F CA 0.806 58.805 58.000 -0.003 0.000 1.308 416 F CB -0.158 38.847 39.000 0.009 0.000 1.030 416 F HN -0.244 nan 8.300 nan 0.000 0.487 417 V N 1.123 120.905 119.914 -0.219 0.000 3.305 417 V HA -0.126 3.994 4.120 -0.000 0.000 0.269 417 V C 1.713 177.611 176.094 -0.326 0.000 1.157 417 V CA 1.333 63.421 62.300 -0.353 0.000 1.157 417 V CB -0.880 30.808 31.823 -0.226 0.000 0.772 417 V HN 0.290 nan 8.190 nan 0.000 0.498 418 R N -0.621 119.732 120.500 -0.245 0.000 2.432 418 R HA 0.161 4.501 4.340 -0.000 0.000 0.260 418 R C 0.311 176.528 176.300 -0.140 0.000 0.935 418 R CA 0.006 55.991 56.100 -0.191 0.000 1.080 418 R CB 0.205 30.413 30.300 -0.153 0.000 1.155 418 R HN 0.286 nan 8.270 nan 0.000 0.531 419 D N 0.751 121.048 120.400 -0.171 0.000 2.983 419 D HA -0.162 4.478 4.640 -0.000 0.000 0.225 419 D C -0.650 175.627 176.300 -0.039 0.000 1.174 419 D CA 0.921 54.851 54.000 -0.118 0.000 0.831 419 D CB -0.958 39.779 40.800 -0.105 0.000 1.104 419 D HN 0.229 nan 8.370 nan 0.000 0.421 420 L N -0.522 120.695 121.223 -0.011 0.000 2.417 420 L HA 0.339 4.679 4.340 -0.000 0.000 0.268 420 L C 0.856 177.759 176.870 0.055 0.000 1.158 420 L CA 0.293 55.150 54.840 0.028 0.000 0.819 420 L CB 0.762 42.850 42.059 0.049 0.000 1.112 420 L HN -0.145 nan 8.230 nan 0.000 0.458 421 K N 2.299 122.726 120.400 0.044 0.000 2.464 421 K HA 0.393 4.713 4.320 -0.000 0.000 0.253 421 K C -2.533 174.079 176.600 0.020 0.000 0.933 421 K CA -1.798 54.512 56.287 0.039 0.000 0.801 421 K CB 1.776 34.287 32.500 0.019 0.000 1.271 421 K HN 0.197 nan 8.250 nan 0.000 0.430 422 P HA -0.092 nan 4.420 nan 0.000 0.252 422 P C -2.242 175.037 177.300 -0.035 0.000 1.147 422 P CA -0.360 62.751 63.100 0.019 0.000 0.779 422 P CB -0.411 31.298 31.700 0.014 0.000 0.733 423 P HA -0.003 nan 4.420 nan 0.000 0.270 423 P C -0.086 177.201 177.300 -0.023 0.000 1.223 423 P CA 0.169 63.268 63.100 -0.002 0.000 0.785 423 P CB 0.561 32.297 31.700 0.061 0.000 0.923 424 H N 1.278 120.389 119.070 0.068 0.000 2.815 424 H HA 0.133 4.688 4.556 -0.000 0.000 0.350 424 H C 0.953 176.284 175.328 0.005 0.000 1.080 424 H CA 0.567 56.592 56.048 -0.039 0.000 1.433 424 H CB 0.620 30.256 29.762 -0.210 0.000 1.432 424 H HN 0.240 nan 8.280 nan 0.000 0.592 425 R N 2.531 123.067 120.500 0.059 0.000 2.357 425 R HA 0.185 4.525 4.340 -0.000 0.000 0.296 425 R C -0.656 175.623 176.300 -0.035 0.000 1.052 425 R CA -0.301 55.847 56.100 0.080 0.000 0.988 425 R CB 0.585 30.916 30.300 0.052 0.000 1.025 425 R HN 0.466 nan 8.270 nan 0.000 0.469 426 Y N 0.562 120.801 120.300 -0.102 0.000 2.699 426 Y HA 0.175 4.725 4.550 -0.000 0.000 0.326 426 Y C 1.382 177.301 175.900 0.032 0.000 1.141 426 Y CA -1.065 56.992 58.100 -0.073 0.000 1.246 426 Y CB 0.521 38.780 38.460 -0.336 0.000 1.426 426 Y HN 0.492 nan 8.280 nan 0.000 0.559 427 N N 0.086 119.069 118.700 0.472 0.000 2.430 427 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 427 N C 0.731 176.331 175.510 0.150 0.000 1.032 427 N CA 1.241 54.380 53.050 0.148 0.000 0.893 427 N CB -0.234 38.159 38.487 -0.158 0.000 0.957 427 N HN 0.614 nan 8.380 nan 0.000 0.442 428 H N -2.576 116.581 119.070 0.145 0.000 2.512 428 H HA 0.455 5.011 4.556 -0.000 0.000 0.276 428 H C 1.058 176.433 175.328 0.077 0.000 1.126 428 H CA 0.209 56.283 56.048 0.043 0.000 1.060 428 H CB -0.375 29.327 29.762 -0.101 0.000 1.646 428 H HN 0.070 nan 8.280 nan 0.000 0.571 429 G N 1.479 110.273 108.800 -0.010 0.000 2.553 429 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.242 429 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.242 429 G C -0.267 174.655 174.900 0.037 0.000 1.277 429 G CA -0.227 44.899 45.100 0.043 0.000 0.910 429 G HN 0.440 nan 8.290 nan 0.000 0.576 430 T N 4.583 119.186 114.554 0.081 0.000 2.765 430 T HA 0.368 4.717 4.350 -0.000 0.000 0.275 430 T C -1.546 173.210 174.700 0.094 0.000 1.007 430 T CA 0.878 63.019 62.100 0.069 0.000 1.175 430 T CB 0.543 69.448 68.868 0.061 0.000 0.993 430 T HN 0.668 nan 8.240 nan 0.000 0.510 431 P HA 0.145 nan 4.420 nan 0.000 0.275 431 P C 0.395 177.842 177.300 0.244 0.000 1.227 431 P CA -0.483 62.609 63.100 -0.013 0.000 0.781 431 P CB 0.626 32.248 31.700 -0.130 0.000 0.906 432 F N 1.580 121.526 119.950 -0.007 0.000 2.128 432 F HA 0.083 4.610 4.527 -0.000 0.000 0.295 432 F C 1.682 177.499 175.800 0.030 0.000 1.100 432 F CA 0.610 58.630 58.000 0.032 0.000 1.260 432 F CB -1.238 37.824 39.000 0.104 0.000 1.009 432 F HN 0.295 nan 8.300 nan 0.000 0.476 433 A N 0.212 123.168 122.820 0.228 0.000 2.431 433 A HA 0.345 4.665 4.320 -0.000 0.000 0.318 433 A C -1.021 176.612 177.584 0.082 0.000 1.330 433 A CA -0.486 51.632 52.037 0.135 0.000 0.804 433 A CB -0.140 18.938 19.000 0.130 0.000 1.135 433 A HN 0.013 nan 8.150 nan 0.000 0.483 434 D N 3.107 123.550 120.400 0.072 0.000 2.365 434 D HA 0.157 4.797 4.640 -0.000 0.000 0.237 434 D C 0.974 177.317 176.300 0.072 0.000 1.190 434 D CA -0.367 53.674 54.000 0.069 0.000 0.867 434 D CB 0.704 41.536 40.800 0.054 0.000 1.050 434 D HN 0.356 nan 8.370 nan 0.000 0.491 435 L N 3.385 124.653 121.223 0.075 0.000 2.362 435 L HA -0.136 4.204 4.340 -0.000 0.000 0.219 435 L C 2.094 178.998 176.870 0.057 0.000 1.134 435 L CA 1.033 55.911 54.840 0.063 0.000 0.807 435 L CB -0.532 41.563 42.059 0.060 0.000 0.927 435 L HN 0.655 nan 8.230 nan 0.000 0.447 436 Q N 0.634 120.472 119.800 0.063 0.000 2.152 436 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 436 Q C 0.739 176.764 176.000 0.040 0.000 0.985 436 Q CA 1.128 56.962 55.803 0.051 0.000 0.863 436 Q CB 0.048 28.820 28.738 0.056 0.000 0.904 436 Q HN 0.429 nan 8.270 nan 0.000 0.422 437 I N 2.793 123.392 120.570 0.049 0.000 2.301 437 I HA 0.147 4.317 4.170 -0.000 0.000 0.292 437 I C -0.347 175.793 176.117 0.039 0.000 1.046 437 I CA -0.526 60.801 61.300 0.044 0.000 1.282 437 I CB 0.836 38.876 38.000 0.066 0.000 1.409 437 I HN -0.044 nan 8.210 nan 0.000 0.484 438 K N 5.663 126.076 120.400 0.022 0.000 2.098 438 K HA 0.344 4.663 4.320 -0.000 0.000 0.258 438 K C -0.189 176.419 176.600 0.014 0.000 0.973 438 K CA -0.735 55.564 56.287 0.019 0.000 0.898 438 K CB 1.359 33.864 32.500 0.009 0.000 1.057 438 K HN 0.504 nan 8.250 nan 0.000 0.447 439 E N 1.239 121.452 120.200 0.022 0.000 2.392 439 E HA 0.004 4.354 4.350 -0.000 0.000 0.264 439 E C -0.587 176.013 176.600 0.001 0.000 1.024 439 E CA -0.049 56.364 56.400 0.021 0.000 0.903 439 E CB 0.358 30.081 29.700 0.038 0.000 0.963 439 E HN 0.409 nan 8.360 nan 0.000 0.432 440 R N 2.417 122.910 120.500 -0.011 0.000 3.209 440 R HA -0.181 4.159 4.340 -0.000 0.000 0.252 440 R C -0.651 175.621 176.300 -0.047 0.000 0.958 440 R CA 0.500 56.583 56.100 -0.028 0.000 0.651 440 R CB -1.329 28.963 30.300 -0.013 0.000 1.142 440 R HN 0.595 nan 8.270 nan 0.000 0.441 441 M N 1.553 121.112 119.600 -0.069 0.000 2.202 441 M HA 0.328 4.808 4.480 -0.000 0.000 0.316 441 M C -1.414 174.817 176.300 -0.115 0.000 1.138 441 M CA -1.367 53.884 55.300 -0.083 0.000 1.151 441 M CB 0.443 32.988 32.600 -0.091 0.000 1.422 441 M HN 0.092 nan 8.290 nan 0.000 0.471 442 P HA 0.278 nan 4.420 nan 0.000 0.292 442 P C -1.641 175.552 177.300 -0.179 0.000 1.287 442 P CA -0.338 62.687 63.100 -0.125 0.000 0.800 442 P CB 0.530 32.178 31.700 -0.088 0.000 0.945 443 R N 3.209 123.572 120.500 -0.227 0.000 2.255 443 R HA 0.412 4.752 4.340 -0.000 0.000 0.326 443 R C 0.302 176.478 176.300 -0.208 0.000 0.986 443 R CA -0.732 55.178 56.100 -0.316 0.000 0.847 443 R CB 1.419 31.383 30.300 -0.559 0.000 1.111 443 R HN 0.394 nan 8.270 nan 0.000 0.452 444 R N 1.246 121.634 120.500 -0.187 0.000 2.347 444 R HA 0.057 4.397 4.340 -0.000 0.000 0.304 444 R C 0.677 176.936 176.300 -0.067 0.000 1.072 444 R CA 0.050 56.081 56.100 -0.116 0.000 0.980 444 R CB 0.675 30.897 30.300 -0.130 0.000 0.986 444 R HN 0.690 nan 8.270 nan 0.000 0.448 445 T N -2.509 112.042 114.554 -0.005 0.000 3.086 445 T HA -0.043 4.307 4.350 -0.000 0.000 0.250 445 T C 0.786 175.537 174.700 0.085 0.000 1.074 445 T CA -0.008 62.125 62.100 0.055 0.000 0.988 445 T CB -0.008 68.905 68.868 0.075 0.000 0.988 445 T HN 0.626 nan 8.240 nan 0.000 0.530 446 D N 0.810 121.253 120.400 0.072 0.000 2.349 446 D HA 0.049 4.689 4.640 -0.000 0.000 0.214 446 D C 1.326 177.760 176.300 0.224 0.000 1.063 446 D CA -0.072 54.011 54.000 0.139 0.000 0.847 446 D CB 0.072 40.926 40.800 0.090 0.000 0.933 446 D HN 0.277 nan 8.370 nan 0.000 0.513 447 K N -0.123 120.340 120.400 0.106 0.000 2.374 447 K HA 0.192 4.512 4.320 -0.000 0.000 0.196 447 K C 0.345 176.937 176.600 -0.012 0.000 1.023 447 K CA -0.147 56.187 56.287 0.079 0.000 1.103 447 K CB 0.393 32.717 32.500 -0.294 0.000 0.848 447 K HN 0.197 nan 8.250 nan 0.000 0.528 448 M N -0.557 118.996 119.600 -0.078 0.000 2.471 448 M HA 0.451 4.931 4.480 -0.000 0.000 0.284 448 M C -2.245 173.951 176.300 -0.174 0.000 1.203 448 M CA -0.610 54.491 55.300 -0.331 0.000 0.915 448 M CB 2.272 34.851 32.600 -0.035 0.000 1.734 448 M HN -0.110 nan 8.290 nan 0.000 0.485 449 A N 3.949 126.618 122.820 -0.253 0.000 2.359 449 A HA 0.777 5.096 4.320 -0.000 0.000 0.303 449 A C -2.061 175.358 177.584 -0.275 0.000 1.066 449 A CA -0.645 51.327 52.037 -0.109 0.000 0.730 449 A CB 1.722 20.836 19.000 0.191 0.000 1.211 449 A HN 0.750 nan 8.150 nan 0.000 0.439 450 L N 3.288 124.265 121.223 -0.410 0.000 2.343 450 L HA 0.678 5.018 4.340 -0.000 0.000 0.278 450 L C -1.861 174.741 176.870 -0.447 0.000 0.996 450 L CA -0.469 54.173 54.840 -0.330 0.000 0.831 450 L CB 0.622 42.567 42.059 -0.189 0.000 1.232 450 L HN 0.621 nan 8.230 nan 0.000 0.413 451 F N 3.933 123.913 119.950 0.050 0.000 2.427 451 F HA 0.781 5.308 4.527 -0.000 0.000 0.348 451 F C 0.358 176.266 175.800 0.180 0.000 1.125 451 F CA -0.519 57.538 58.000 0.096 0.000 0.989 451 F CB 1.916 40.912 39.000 -0.007 0.000 1.165 451 F HN 0.557 nan 8.300 nan 0.000 0.442 452 A N 4.062 127.097 122.820 0.358 0.000 2.604 452 A HA 0.660 4.980 4.320 -0.000 0.000 0.295 452 A C -2.467 174.840 177.584 -0.461 0.000 1.067 452 A CA -1.363 50.686 52.037 0.020 0.000 0.683 452 A CB 1.413 20.260 19.000 -0.256 0.000 1.281 452 A HN 0.350 nan 8.150 nan 0.000 0.407 453 P HA -0.009 nan 4.420 nan 0.000 0.240 453 P C -0.444 176.896 177.300 0.068 0.000 1.186 453 P CA 1.657 64.489 63.100 -0.448 0.000 0.755 453 P CB -0.741 30.736 31.700 -0.372 0.000 0.870 454 Y N -4.026 116.313 120.300 0.065 0.000 2.764 454 Y HA 0.619 5.169 4.550 -0.000 0.000 0.331 454 Y C -0.012 175.965 175.900 0.127 0.000 1.280 454 Y CA -2.395 55.818 58.100 0.188 0.000 1.065 454 Y CB 0.023 38.687 38.460 0.340 0.000 1.319 454 Y HN -0.437 nan 8.280 nan 0.000 0.453 455 R N 2.051 122.781 120.500 0.383 0.000 2.605 455 R HA 0.591 4.931 4.340 -0.000 0.000 0.271 455 R C -0.422 176.047 176.300 0.282 0.000 1.418 455 R CA 0.348 56.583 56.100 0.224 0.000 1.102 455 R CB -0.867 29.517 30.300 0.139 0.000 1.131 455 R HN 0.903 nan 8.270 nan 0.000 0.554 456 A N 5.520 128.429 122.820 0.148 0.000 2.406 456 A HA 0.299 4.619 4.320 -0.000 0.000 0.243 456 A C -1.506 176.103 177.584 0.042 0.000 1.082 456 A CA -1.184 50.927 52.037 0.124 0.000 0.786 456 A CB 0.188 19.143 19.000 -0.076 0.000 1.029 456 A HN 0.666 nan 8.150 nan 0.000 0.495 457 P HA -0.075 nan 4.420 nan 0.000 0.216 457 P C 0.683 177.832 177.300 -0.253 0.000 1.153 457 P CA 0.973 64.050 63.100 -0.038 0.000 0.844 457 P CB -0.051 31.692 31.700 0.071 0.000 0.787 458 L N -2.092 118.933 121.223 -0.330 0.000 2.675 458 L HA 0.165 4.505 4.340 -0.000 0.000 0.239 458 L C 2.119 178.742 176.870 -0.411 0.000 1.151 458 L CA 0.821 55.310 54.840 -0.585 0.000 0.905 458 L CB -1.050 40.684 42.059 -0.541 0.000 1.057 458 L HN -0.082 nan 8.230 nan 0.000 0.435 459 M N -0.823 118.590 119.600 -0.311 0.000 2.562 459 M HA -0.091 4.389 4.480 -0.000 0.000 0.257 459 M C 1.975 178.060 176.300 -0.357 0.000 1.099 459 M CA 0.948 56.055 55.300 -0.321 0.000 1.099 459 M CB 0.152 32.575 32.600 -0.295 0.000 1.427 459 M HN 0.003 nan 8.290 nan 0.000 0.489 460 K N -0.464 119.746 120.400 -0.316 0.000 2.103 460 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 460 K C 0.452 177.109 176.600 0.093 0.000 1.052 460 K CA 1.134 57.327 56.287 -0.157 0.000 0.945 460 K CB -0.014 32.389 32.500 -0.161 0.000 0.722 460 K HN 0.401 nan 8.250 nan 0.000 0.443 461 W N 0.272 121.501 121.300 -0.118 0.000 3.194 461 W HA 0.505 5.165 4.660 -0.000 0.000 0.408 461 W C -0.533 175.935 176.519 -0.085 0.000 1.072 461 W CA -1.162 56.126 57.345 -0.096 0.000 1.953 461 W CB -1.077 28.321 29.460 -0.104 0.000 1.091 461 W HN -0.129 nan 8.180 nan 0.000 0.699 462 A N 0.254 123.110 122.820 0.061 0.000 2.323 462 A HA 0.717 5.036 4.320 -0.000 0.000 0.305 462 A C 1.073 178.735 177.584 0.130 0.000 1.275 462 A CA 0.139 52.202 52.037 0.044 0.000 0.804 462 A CB 0.904 19.877 19.000 -0.044 0.000 1.152 462 A HN 0.076 nan 8.150 nan 0.000 0.487 463 A N 3.501 126.416 122.820 0.158 0.000 1.835 463 A HA 0.079 4.399 4.320 -0.000 0.000 0.215 463 A C 1.063 178.786 177.584 0.231 0.000 1.199 463 A CA 1.056 53.210 52.037 0.195 0.000 0.615 463 A CB -0.494 18.589 19.000 0.140 0.000 0.838 463 A HN 0.839 nan 8.150 nan 0.000 0.444 464 I N 1.887 122.549 120.570 0.152 0.000 2.494 464 I HA 0.247 4.417 4.170 -0.000 0.000 0.289 464 I C -0.105 175.987 176.117 -0.041 0.000 1.106 464 I CA 0.541 61.881 61.300 0.066 0.000 1.369 464 I CB -1.235 36.851 38.000 0.143 0.000 1.410 464 I HN 0.640 nan 8.210 nan 0.000 0.523 465 H N 3.904 122.875 119.070 -0.165 0.000 3.123 465 H HA 0.618 5.174 4.556 -0.000 0.000 0.346 465 H C -1.894 173.387 175.328 -0.078 0.000 1.138 465 H CA -0.783 55.096 56.048 -0.282 0.000 1.273 465 H CB 2.487 32.155 29.762 -0.157 0.000 1.926 465 H HN 0.723 nan 8.280 nan 0.000 0.524 466 E N 2.560 122.797 120.200 0.061 0.000 2.392 466 E HA 0.433 4.783 4.350 -0.000 0.000 0.279 466 E C -1.444 175.366 176.600 0.349 0.000 0.964 466 E CA -0.904 55.647 56.400 0.251 0.000 0.777 466 E CB 3.279 33.177 29.700 0.330 0.000 1.249 466 E HN 0.410 nan 8.360 nan 0.000 0.449 467 V N 3.699 123.765 119.914 0.253 0.000 2.432 467 V HA 0.323 4.443 4.120 -0.000 0.000 0.275 467 V C -0.122 176.106 176.094 0.224 0.000 1.043 467 V CA -0.208 62.215 62.300 0.205 0.000 0.925 467 V CB 0.426 32.341 31.823 0.154 0.000 0.985 467 V HN 0.712 nan 8.190 nan 0.000 0.466 468 H N 3.601 122.731 119.070 0.100 0.000 2.960 468 H HA 0.873 5.429 4.556 -0.000 0.000 0.302 468 H C -0.177 175.188 175.328 0.061 0.000 1.515 468 H CA -1.395 54.685 56.048 0.053 0.000 1.431 468 H CB 1.087 30.850 29.762 0.002 0.000 1.890 468 H HN 0.566 nan 8.280 nan 0.000 0.762 469 R N -0.807 119.735 120.500 0.069 0.000 2.758 469 R HA 0.467 4.807 4.340 -0.000 0.000 0.265 469 R C -2.912 173.310 176.300 -0.131 0.000 1.016 469 R CA -2.188 53.903 56.100 -0.016 0.000 1.040 469 R CB 0.244 30.587 30.300 0.072 0.000 1.152 469 R HN 0.340 nan 8.270 nan 0.000 0.503 470 P HA -0.106 nan 4.420 nan 0.000 0.268 470 P C 0.116 177.257 177.300 -0.264 0.000 1.189 470 P CA 1.122 63.913 63.100 -0.515 0.000 0.771 470 P CB 0.171 31.566 31.700 -0.507 0.000 0.822 471 G N 1.906 110.578 108.800 -0.213 0.000 2.216 471 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.263 471 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.263 471 G C 0.471 175.351 174.900 -0.033 0.000 0.837 471 G CA 0.900 45.963 45.100 -0.061 0.000 1.227 471 G HN 0.754 nan 8.290 nan 0.000 0.407 472 E N -0.634 119.569 120.200 0.006 0.000 2.712 472 E HA 0.030 4.379 4.350 -0.000 0.000 0.221 472 E C 1.967 178.500 176.600 -0.111 0.000 0.943 472 E CA 0.398 56.791 56.400 -0.012 0.000 1.259 472 E CB 0.105 29.840 29.700 0.058 0.000 1.167 472 E HN 0.479 nan 8.360 nan 0.000 0.569 473 E N 1.929 122.044 120.200 -0.142 0.000 2.204 473 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 473 E C 1.747 178.241 176.600 -0.177 0.000 0.990 473 E CA 0.998 57.244 56.400 -0.256 0.000 0.821 473 E CB -0.451 29.147 29.700 -0.169 0.000 0.750 473 E HN 0.413 nan 8.360 nan 0.000 0.477 474 R N 1.388 121.825 120.500 -0.105 0.000 2.133 474 R HA -0.159 4.181 4.340 -0.000 0.000 0.247 474 R C 1.830 178.070 176.300 -0.100 0.000 1.151 474 R CA 1.780 57.832 56.100 -0.080 0.000 0.971 474 R CB -0.579 29.692 30.300 -0.048 0.000 0.866 474 R HN 0.273 nan 8.270 nan 0.000 0.447 475 E N 0.536 120.667 120.200 -0.115 0.000 2.122 475 E HA -0.036 4.314 4.350 -0.000 0.000 0.190 475 E C 1.977 178.479 176.600 -0.164 0.000 0.977 475 E CA 0.604 56.934 56.400 -0.116 0.000 0.820 475 E CB -0.033 29.610 29.700 -0.096 0.000 0.770 475 E HN 0.218 nan 8.360 nan 0.000 0.462 476 I N 0.784 121.212 120.570 -0.237 0.000 2.252 476 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 476 I C 2.017 177.963 176.117 -0.286 0.000 1.102 476 I CA 0.970 62.071 61.300 -0.332 0.000 1.385 476 I CB -0.148 37.533 38.000 -0.532 0.000 1.064 476 I HN 0.051 nan 8.210 nan 0.000 0.414 477 L N -0.528 120.554 121.223 -0.236 0.000 2.046 477 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 477 L C 2.374 179.153 176.870 -0.152 0.000 1.077 477 L CA 1.576 56.303 54.840 -0.189 0.000 0.747 477 L CB -0.804 41.172 42.059 -0.138 0.000 0.896 477 L HN 0.225 nan 8.230 nan 0.000 0.432 478 L N -0.884 120.263 121.223 -0.126 0.000 1.970 478 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 478 L C 2.651 179.462 176.870 -0.099 0.000 1.071 478 L CA 1.695 56.477 54.840 -0.096 0.000 0.751 478 L CB -0.453 41.558 42.059 -0.079 0.000 0.889 478 L HN 0.289 nan 8.230 nan 0.000 0.432 479 A N -0.020 122.731 122.820 -0.115 0.000 1.903 479 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 479 A C 2.167 179.692 177.584 -0.099 0.000 1.191 479 A CA 2.271 54.246 52.037 -0.104 0.000 0.638 479 A CB -1.110 17.814 19.000 -0.127 0.000 0.823 479 A HN 0.545 nan 8.150 nan 0.000 0.451 480 L N -0.887 120.254 121.223 -0.138 0.000 2.042 480 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 480 L C 2.632 179.440 176.870 -0.103 0.000 1.076 480 L CA 1.279 56.037 54.840 -0.136 0.000 0.749 480 L CB -0.642 41.285 42.059 -0.221 0.000 0.893 480 L HN 0.406 nan 8.230 nan 0.000 0.432 481 L N -0.454 120.709 121.223 -0.102 0.000 2.043 481 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 481 L C 1.570 178.427 176.870 -0.021 0.000 1.075 481 L CA 1.530 56.335 54.840 -0.058 0.000 0.752 481 L CB -0.572 41.455 42.059 -0.054 0.000 0.891 481 L HN 0.606 nan 8.230 nan 0.000 0.432 482 G N -1.732 107.051 108.800 -0.029 0.000 2.200 482 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.145 482 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.145 482 G C 0.063 174.953 174.900 -0.017 0.000 1.021 482 G CA 0.033 45.125 45.100 -0.013 0.000 0.720 482 G HN 0.264 nan 8.290 nan 0.000 0.494 483 D N 0.279 120.663 120.400 -0.027 0.000 2.368 483 D HA 0.282 4.922 4.640 -0.000 0.000 0.218 483 D C 1.080 177.363 176.300 -0.029 0.000 1.112 483 D CA 0.633 54.618 54.000 -0.025 0.000 0.834 483 D CB 0.665 41.450 40.800 -0.026 0.000 0.953 483 D HN 0.281 nan 8.370 nan 0.000 0.505 484 K N -0.059 120.321 120.400 -0.034 0.000 2.614 484 K HA 0.240 4.560 4.320 -0.000 0.000 0.293 484 K C -1.165 175.413 176.600 -0.036 0.000 1.045 484 K CA -0.558 55.707 56.287 -0.035 0.000 0.880 484 K CB 2.213 34.686 32.500 -0.045 0.000 1.552 484 K HN -0.105 nan 8.250 nan 0.000 0.404 485 E N 0.495 120.674 120.200 -0.035 0.000 2.158 485 E HA 0.554 4.904 4.350 -0.000 0.000 0.271 485 E C -0.601 175.973 176.600 -0.043 0.000 0.911 485 E CA -0.525 55.855 56.400 -0.032 0.000 0.767 485 E CB 1.303 30.990 29.700 -0.022 0.000 1.120 485 E HN 0.675 nan 8.360 nan 0.000 0.405 486 G N 1.979 110.748 108.800 -0.051 0.000 2.887 486 G HA2 0.343 4.303 3.960 -0.000 0.000 0.277 486 G HA3 0.343 4.303 3.960 -0.000 0.000 0.277 486 G C -0.164 174.713 174.900 -0.040 0.000 1.346 486 G CA -0.327 44.734 45.100 -0.065 0.000 1.058 486 G HN 0.618 nan 8.290 nan 0.000 0.535 487 S N -1.007 114.671 115.700 -0.037 0.000 2.592 487 S HA 0.048 4.518 4.470 -0.000 0.000 0.256 487 S C 1.134 175.740 174.600 0.010 0.000 1.369 487 S CA 0.708 58.905 58.200 -0.005 0.000 0.984 487 S CB 0.652 63.860 63.200 0.013 0.000 0.919 487 S HN 0.687 nan 8.310 nan 0.000 0.576 488 E N 0.272 120.484 120.200 0.019 0.000 2.058 488 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 488 E C 2.109 178.740 176.600 0.053 0.000 0.997 488 E CA 1.381 57.797 56.400 0.027 0.000 0.801 488 E CB -0.318 29.394 29.700 0.020 0.000 0.746 488 E HN 0.535 nan 8.360 nan 0.000 0.450 489 M N 0.778 120.422 119.600 0.073 0.000 2.082 489 M HA -0.171 4.309 4.480 -0.000 0.000 0.258 489 M C 2.594 179.039 176.300 0.241 0.000 1.071 489 M CA 1.316 56.705 55.300 0.147 0.000 1.103 489 M CB -1.077 31.634 32.600 0.185 0.000 1.307 489 M HN 0.054 nan 8.290 nan 0.000 0.409 490 V N 0.368 120.376 119.914 0.156 0.000 2.469 490 V HA -0.259 3.860 4.120 -0.000 0.000 0.251 490 V C 2.709 178.841 176.094 0.064 0.000 1.064 490 V CA 1.787 64.107 62.300 0.034 0.000 1.066 490 V CB -1.721 29.995 31.823 -0.178 0.000 0.667 490 V HN 0.506 nan 8.190 nan 0.000 0.461 491 A N 0.226 123.077 122.820 0.052 0.000 1.855 491 A HA -0.206 4.114 4.320 -0.000 0.000 0.215 491 A C 2.300 179.922 177.584 0.064 0.000 1.191 491 A CA 1.856 53.917 52.037 0.041 0.000 0.613 491 A CB -0.451 18.564 19.000 0.026 0.000 0.829 491 A HN 0.536 nan 8.150 nan 0.000 0.442 492 K N -0.105 120.344 120.400 0.081 0.000 2.209 492 K HA -0.047 4.273 4.320 -0.000 0.000 0.204 492 K C 2.137 178.802 176.600 0.108 0.000 1.048 492 K CA 0.976 57.311 56.287 0.080 0.000 0.940 492 K CB -0.280 32.269 32.500 0.081 0.000 0.729 492 K HN 0.464 nan 8.250 nan 0.000 0.451 493 A N 1.844 124.776 122.820 0.187 0.000 1.897 493 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 493 A C 2.074 179.770 177.584 0.186 0.000 1.181 493 A CA 1.349 53.549 52.037 0.271 0.000 0.620 493 A CB -0.285 19.005 19.000 0.483 0.000 0.821 493 A HN 0.199 nan 8.150 nan 0.000 0.443 494 K N -0.049 120.426 120.400 0.125 0.000 1.991 494 K HA -0.236 4.084 4.320 -0.000 0.000 0.212 494 K C 2.067 178.732 176.600 0.108 0.000 1.049 494 K CA 1.883 58.234 56.287 0.108 0.000 0.932 494 K CB -0.268 32.264 32.500 0.053 0.000 0.717 494 K HN 0.557 nan 8.250 nan 0.000 0.441 495 E N -0.295 119.937 120.200 0.053 0.000 2.209 495 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 495 E C 1.577 178.148 176.600 -0.048 0.000 0.993 495 E CA 0.957 57.366 56.400 0.014 0.000 0.819 495 E CB -0.064 29.640 29.700 0.006 0.000 0.745 495 E HN 0.460 nan 8.360 nan 0.000 0.477 496 A N 1.642 124.400 122.820 -0.103 0.000 1.840 496 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 496 A C 2.037 179.383 177.584 -0.397 0.000 1.198 496 A CA 1.091 52.910 52.037 -0.363 0.000 0.608 496 A CB -1.352 17.269 19.000 -0.631 0.000 0.839 496 A HN 0.722 nan 8.150 nan 0.000 0.443 497 W N 1.323 122.400 121.300 -0.373 0.000 2.364 497 W HA -0.152 4.508 4.660 -0.000 0.000 0.281 497 W C 1.596 178.061 176.519 -0.090 0.000 1.219 497 W CA 1.995 59.244 57.345 -0.160 0.000 1.220 497 W CB -0.055 29.412 29.460 0.011 0.000 1.127 497 W HN 0.457 nan 8.180 nan 0.000 0.556 498 E N 0.548 120.780 120.200 0.054 0.000 2.006 498 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 498 E C 1.863 178.400 176.600 -0.105 0.000 0.993 498 E CA 1.206 57.606 56.400 0.000 0.000 0.808 498 E CB -0.786 28.936 29.700 0.036 0.000 0.764 498 E HN 0.299 nan 8.360 nan 0.000 0.449 499 K N 0.947 121.282 120.400 -0.109 0.000 2.574 499 K HA 0.071 4.391 4.320 -0.000 0.000 0.193 499 K C 0.549 177.059 176.600 -0.150 0.000 1.035 499 K CA 0.089 56.310 56.287 -0.110 0.000 0.982 499 K CB -0.028 32.418 32.500 -0.091 0.000 0.795 499 K HN -0.010 nan 8.250 nan 0.000 0.491 500 A N 1.820 124.500 122.820 -0.233 0.000 2.451 500 A HA 0.059 4.379 4.320 -0.000 0.000 0.266 500 A C 0.524 177.971 177.584 -0.229 0.000 1.119 500 A CA -0.234 51.644 52.037 -0.265 0.000 0.786 500 A CB 0.356 19.088 19.000 -0.446 0.000 1.061 500 A HN 0.106 nan 8.150 nan 0.000 0.503 501 K N 1.972 122.293 120.400 -0.133 0.000 1.995 501 K HA 0.054 4.373 4.320 -0.000 0.000 0.207 501 K C 0.361 176.897 176.600 -0.106 0.000 1.041 501 K CA 1.194 57.423 56.287 -0.097 0.000 0.942 501 K CB 0.170 32.642 32.500 -0.047 0.000 0.731 501 K HN 0.551 nan 8.250 nan 0.000 0.439 502 N N 1.046 119.700 118.700 -0.077 0.000 2.752 502 N HA 0.231 4.971 4.740 -0.000 0.000 0.260 502 N C -2.818 172.662 175.510 -0.050 0.000 1.562 502 N CA -1.084 51.925 53.050 -0.068 0.000 0.788 502 N CB 1.655 40.129 38.487 -0.021 0.000 1.192 502 N HN 0.087 nan 8.380 nan 0.000 0.503 503 P HA 0.362 nan 4.420 nan 0.000 0.282 503 P C -0.518 176.786 177.300 0.007 0.000 1.287 503 P CA -0.396 62.675 63.100 -0.049 0.000 0.792 503 P CB 1.885 33.422 31.700 -0.272 0.000 1.163 504 V N 0.418 120.401 119.914 0.115 0.000 2.760 504 V HA 0.247 4.367 4.120 -0.000 0.000 0.309 504 V C -0.286 175.957 176.094 0.249 0.000 1.077 504 V CA -0.759 61.623 62.300 0.136 0.000 0.910 504 V CB 1.935 33.752 31.823 -0.011 0.000 1.008 504 V HN 0.387 nan 8.190 nan 0.000 0.424 505 L N 6.016 127.404 121.223 0.275 0.000 2.264 505 L HA 0.639 4.978 4.340 -0.000 0.000 0.289 505 L C -0.575 176.313 176.870 0.030 0.000 1.044 505 L CA 0.318 55.269 54.840 0.186 0.000 0.807 505 L CB 0.875 43.022 42.059 0.146 0.000 1.192 505 L HN 0.529 nan 8.230 nan 0.000 0.425 506 I N 6.708 127.270 120.570 -0.014 0.000 2.362 506 I HA 0.444 4.614 4.170 -0.000 0.000 0.289 506 I C -0.975 175.096 176.117 -0.076 0.000 0.994 506 I CA -0.771 60.489 61.300 -0.066 0.000 1.158 506 I CB 1.414 39.370 38.000 -0.074 0.000 1.315 506 I HN 0.497 nan 8.210 nan 0.000 0.451 507 L N 3.782 124.929 121.223 -0.126 0.000 2.424 507 L HA 1.000 5.340 4.340 -0.000 0.000 0.258 507 L C -0.129 176.665 176.870 -0.127 0.000 0.995 507 L CA -0.290 54.478 54.840 -0.120 0.000 0.821 507 L CB 1.433 43.398 42.059 -0.156 0.000 1.383 507 L HN 0.544 nan 8.230 nan 0.000 0.410 508 G N -0.137 108.620 108.800 -0.071 0.000 2.844 508 G HA2 0.601 4.561 3.960 -0.000 0.000 0.204 508 G HA3 0.601 4.561 3.960 -0.000 0.000 0.204 508 G C 0.536 175.426 174.900 -0.017 0.000 1.815 508 G CA 0.310 45.380 45.100 -0.050 0.000 0.739 508 G HN 0.928 nan 8.290 nan 0.000 0.807 509 A N 0.160 122.989 122.820 0.016 0.000 1.838 509 A HA 0.373 4.693 4.320 -0.000 0.000 0.215 509 A C 2.625 180.257 177.584 0.080 0.000 1.273 509 A CA 2.225 54.287 52.037 0.043 0.000 0.602 509 A CB -1.441 17.586 19.000 0.045 0.000 0.934 509 A HN 1.152 nan 8.150 nan 0.000 0.461 510 G N -0.278 108.598 108.800 0.127 0.000 2.599 510 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 510 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 510 G C 1.525 176.467 174.900 0.070 0.000 1.193 510 G CA 1.868 47.039 45.100 0.119 0.000 0.778 510 G HN 0.381 nan 8.290 nan 0.000 0.589 511 V N 0.252 120.193 119.914 0.045 0.000 2.287 511 V HA -0.116 4.004 4.120 -0.000 0.000 0.248 511 V C 2.682 178.812 176.094 0.060 0.000 1.053 511 V CA 1.590 63.907 62.300 0.029 0.000 1.027 511 V CB -0.376 31.441 31.823 -0.010 0.000 0.646 511 V HN 0.271 nan 8.190 nan 0.000 0.447 512 L N -0.814 120.439 121.223 0.051 0.000 2.554 512 L HA 0.068 4.408 4.340 -0.000 0.000 0.226 512 L C 1.977 178.911 176.870 0.106 0.000 1.137 512 L CA 1.312 56.205 54.840 0.089 0.000 0.863 512 L CB -0.305 41.781 42.059 0.046 0.000 0.985 512 L HN 0.320 nan 8.230 nan 0.000 0.451 513 Q N -0.898 118.955 119.800 0.090 0.000 2.281 513 Q HA 0.089 4.429 4.340 -0.000 0.000 0.215 513 Q C -0.140 175.906 176.000 0.077 0.000 0.867 513 Q CA 0.087 55.945 55.803 0.092 0.000 0.940 513 Q CB 0.482 29.278 28.738 0.096 0.000 1.111 513 Q HN 0.372 nan 8.270 nan 0.000 0.513 514 D N -1.076 119.365 120.400 0.069 0.000 2.481 514 D HA 0.111 4.751 4.640 -0.000 0.000 0.246 514 D C 0.027 176.355 176.300 0.046 0.000 1.109 514 D CA -0.102 53.928 54.000 0.050 0.000 0.845 514 D CB 1.816 42.639 40.800 0.038 0.000 1.160 514 D HN -0.077 nan 8.370 nan 0.000 0.534 515 T N 2.625 117.201 114.554 0.037 0.000 2.653 515 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 515 T C 2.010 176.722 174.700 0.019 0.000 1.035 515 T CA 1.708 63.826 62.100 0.030 0.000 1.154 515 T CB 0.024 68.903 68.868 0.018 0.000 0.862 515 T HN 0.409 nan 8.240 nan 0.000 0.441 516 V N 1.868 121.788 119.914 0.010 0.000 2.223 516 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 516 V C 2.818 178.911 176.094 -0.002 0.000 1.045 516 V CA 2.168 64.467 62.300 -0.002 0.000 1.004 516 V CB -1.531 30.287 31.823 -0.008 0.000 0.641 516 V HN 0.587 nan 8.190 nan 0.000 0.457 517 A N 0.009 122.829 122.820 -0.001 0.000 1.859 517 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 517 A C 2.463 180.068 177.584 0.035 0.000 1.198 517 A CA 3.117 55.151 52.037 -0.005 0.000 0.629 517 A CB -1.280 17.712 19.000 -0.014 0.000 0.830 517 A HN 0.811 nan 8.150 nan 0.000 0.446 518 A N -0.444 122.422 122.820 0.076 0.000 1.915 518 A HA -0.312 4.008 4.320 -0.000 0.000 0.220 518 A C 1.981 179.625 177.584 0.100 0.000 1.198 518 A CA 2.689 54.827 52.037 0.167 0.000 0.647 518 A CB -0.682 18.420 19.000 0.169 0.000 0.825 518 A HN 0.623 nan 8.150 nan 0.000 0.456 519 E N -0.129 120.082 120.200 0.019 0.000 2.038 519 E HA -0.187 4.162 4.350 -0.000 0.000 0.195 519 E C 2.163 178.744 176.600 -0.032 0.000 1.000 519 E CA 1.807 58.185 56.400 -0.036 0.000 0.803 519 E CB -0.308 29.373 29.700 -0.031 0.000 0.750 519 E HN 0.608 nan 8.360 nan 0.000 0.448 520 R N -0.074 120.416 120.500 -0.018 0.000 2.105 520 R HA -0.097 4.243 4.340 -0.000 0.000 0.239 520 R C 2.399 178.687 176.300 -0.021 0.000 1.135 520 R CA 1.293 57.375 56.100 -0.030 0.000 0.967 520 R CB -0.527 29.745 30.300 -0.046 0.000 0.861 520 R HN 0.267 nan 8.270 nan 0.000 0.442 521 A N 1.244 124.082 122.820 0.030 0.000 1.865 521 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 521 A C 2.136 179.800 177.584 0.134 0.000 1.191 521 A CA 1.578 53.669 52.037 0.091 0.000 0.623 521 A CB -0.606 18.536 19.000 0.236 0.000 0.826 521 A HN 0.246 nan 8.150 nan 0.000 0.444 522 R N -0.551 119.998 120.500 0.081 0.000 2.091 522 R HA -0.118 4.222 4.340 -0.000 0.000 0.238 522 R C 2.149 178.434 176.300 -0.025 0.000 1.136 522 R CA 1.640 57.683 56.100 -0.096 0.000 0.959 522 R CB -0.439 29.627 30.300 -0.390 0.000 0.856 522 R HN 0.589 nan 8.270 nan 0.000 0.437 523 L N 0.743 121.950 121.223 -0.026 0.000 1.994 523 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 523 L C 2.445 179.335 176.870 0.032 0.000 1.071 523 L CA 1.046 55.882 54.840 -0.007 0.000 0.745 523 L CB -0.371 41.677 42.059 -0.019 0.000 0.892 523 L HN 0.282 nan 8.230 nan 0.000 0.431 524 L N 0.227 121.454 121.223 0.006 0.000 2.129 524 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 524 L C 2.255 179.234 176.870 0.183 0.000 1.087 524 L CA 2.163 57.005 54.840 0.002 0.000 0.757 524 L CB -0.747 41.171 42.059 -0.235 0.000 0.896 524 L HN 0.217 nan 8.230 nan 0.000 0.434 525 A N -2.000 120.924 122.820 0.174 0.000 2.238 525 A HA 0.052 4.371 4.320 -0.000 0.000 0.210 525 A C 2.089 179.797 177.584 0.206 0.000 1.179 525 A CA 0.496 52.706 52.037 0.290 0.000 0.827 525 A CB -0.277 18.890 19.000 0.278 0.000 0.856 525 A HN 0.546 nan 8.150 nan 0.000 0.488 526 E N -0.249 120.030 120.200 0.131 0.000 2.075 526 E HA -0.028 4.322 4.350 -0.000 0.000 0.190 526 E C 2.130 178.788 176.600 0.097 0.000 0.969 526 E CA 0.140 56.591 56.400 0.085 0.000 0.815 526 E CB -0.022 29.699 29.700 0.035 0.000 0.776 526 E HN 0.483 nan 8.360 nan 0.000 0.457 527 R N 1.250 121.817 120.500 0.112 0.000 2.097 527 R HA -0.092 4.248 4.340 -0.000 0.000 0.236 527 R C 1.286 177.661 176.300 0.125 0.000 1.135 527 R CA 1.030 57.195 56.100 0.109 0.000 0.934 527 R CB -0.227 30.145 30.300 0.119 0.000 0.846 527 R HN -0.119 nan 8.270 nan 0.000 0.431 528 K N 0.774 121.296 120.400 0.204 0.000 2.258 528 K HA 0.095 4.415 4.320 -0.000 0.000 0.284 528 K C -0.086 176.580 176.600 0.111 0.000 1.051 528 K CA -0.113 56.253 56.287 0.131 0.000 0.923 528 K CB 1.442 34.015 32.500 0.122 0.000 1.046 528 K HN 0.183 nan 8.250 nan 0.000 0.474 529 G N 3.035 111.860 108.800 0.042 0.000 2.991 529 G HA2 0.283 4.243 3.960 -0.000 0.000 0.262 529 G HA3 0.283 4.243 3.960 -0.000 0.000 0.262 529 G C -0.326 174.601 174.900 0.045 0.000 0.765 529 G CA -0.089 45.037 45.100 0.044 0.000 2.051 529 G HN 0.619 nan 8.290 nan 0.000 0.602 530 A N 1.355 124.235 122.820 0.100 0.000 2.380 530 A HA 0.822 5.142 4.320 -0.000 0.000 0.315 530 A C 0.147 177.825 177.584 0.156 0.000 1.101 530 A CA -0.864 51.242 52.037 0.114 0.000 0.771 530 A CB 1.842 20.931 19.000 0.148 0.000 1.287 530 A HN 0.400 nan 8.150 nan 0.000 0.436 531 K N 0.038 120.514 120.400 0.126 0.000 2.132 531 K HA 0.725 5.045 4.320 -0.000 0.000 0.241 531 K C -1.040 175.638 176.600 0.129 0.000 1.000 531 K CA -0.652 55.707 56.287 0.119 0.000 0.911 531 K CB 1.798 34.342 32.500 0.073 0.000 1.093 531 K HN 0.393 nan 8.250 nan 0.000 0.460 532 V N 1.698 121.677 119.914 0.108 0.000 2.962 532 V HA 0.358 4.478 4.120 -0.000 0.000 0.313 532 V C -0.759 175.322 176.094 -0.023 0.000 1.099 532 V CA -0.990 61.339 62.300 0.049 0.000 0.971 532 V CB 1.964 33.818 31.823 0.052 0.000 1.028 532 V HN 0.543 nan 8.190 nan 0.000 0.430 533 L N 3.140 124.315 121.223 -0.081 0.000 2.301 533 L HA 0.601 4.940 4.340 -0.000 0.000 0.278 533 L C 0.476 177.254 176.870 -0.153 0.000 1.022 533 L CA -0.554 54.232 54.840 -0.090 0.000 0.854 533 L CB 1.451 43.467 42.059 -0.071 0.000 1.226 533 L HN 0.795 nan 8.230 nan 0.000 0.429 534 A N 5.145 127.874 122.820 -0.152 0.000 2.457 534 A HA 0.327 4.647 4.320 -0.000 0.000 0.298 534 A C 0.726 178.254 177.584 -0.094 0.000 1.288 534 A CA -0.202 51.730 52.037 -0.175 0.000 0.956 534 A CB -0.143 18.792 19.000 -0.108 0.000 1.135 534 A HN 0.823 nan 8.150 nan 0.000 0.535 535 M N 3.673 123.216 119.600 -0.095 0.000 3.700 535 M HA 0.016 4.496 4.480 -0.000 0.000 0.190 535 M C 0.828 177.102 176.300 -0.043 0.000 1.422 535 M CA -0.056 55.208 55.300 -0.059 0.000 1.646 535 M CB -1.075 31.493 32.600 -0.053 0.000 1.154 535 M HN 0.822 nan 8.290 nan 0.000 0.506 536 T N -1.213 113.325 114.554 -0.027 0.000 2.923 536 T HA 0.018 4.368 4.350 -0.000 0.000 0.320 536 T C -1.897 172.788 174.700 -0.025 0.000 1.074 536 T CA -0.950 61.151 62.100 0.001 0.000 1.131 536 T CB 0.021 68.912 68.868 0.037 0.000 1.058 536 T HN 0.260 nan 8.240 nan 0.000 0.535 537 P HA 0.316 nan 4.420 nan 0.000 0.255 537 P C -0.127 177.096 177.300 -0.128 0.000 1.248 537 P CA -0.042 63.001 63.100 -0.096 0.000 0.807 537 P CB 0.149 31.789 31.700 -0.100 0.000 1.150 538 A N -0.075 122.725 122.820 -0.033 0.000 2.288 538 A HA 0.656 4.976 4.320 -0.000 0.000 0.320 538 A C 1.483 179.081 177.584 0.024 0.000 1.217 538 A CA -0.100 51.948 52.037 0.019 0.000 0.840 538 A CB 0.971 20.061 19.000 0.150 0.000 1.179 538 A HN 0.063 nan 8.150 nan 0.000 0.504 539 A N 2.568 125.464 122.820 0.128 0.000 1.851 539 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 539 A C 1.495 179.021 177.584 -0.096 0.000 1.195 539 A CA 2.171 54.211 52.037 0.005 0.000 0.622 539 A CB -0.418 18.565 19.000 -0.028 0.000 0.831 539 A HN 0.797 nan 8.150 nan 0.000 0.444 540 N N -0.564 118.037 118.700 -0.164 0.000 2.451 540 N HA 0.430 5.169 4.740 -0.000 0.000 0.264 540 N C 0.921 176.259 175.510 -0.286 0.000 1.167 540 N CA 0.648 53.577 53.050 -0.202 0.000 0.898 540 N CB -0.057 38.295 38.487 -0.226 0.000 1.176 540 N HN 0.332 nan 8.380 nan 0.000 0.507 541 A N 0.587 123.284 122.820 -0.204 0.000 1.851 541 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 541 A C 2.149 179.675 177.584 -0.097 0.000 1.195 541 A CA 1.319 53.245 52.037 -0.185 0.000 0.622 541 A CB -0.451 18.596 19.000 0.077 0.000 0.831 541 A HN 0.401 nan 8.150 nan 0.000 0.444 542 R N -0.148 120.349 120.500 -0.004 0.000 2.200 542 R HA -0.064 4.276 4.340 -0.000 0.000 0.234 542 R C 1.902 178.231 176.300 0.048 0.000 1.127 542 R CA 1.570 57.713 56.100 0.071 0.000 0.989 542 R CB -0.732 29.613 30.300 0.074 0.000 0.869 542 R HN 0.484 nan 8.270 nan 0.000 0.459 543 G N -0.726 108.041 108.800 -0.055 0.000 2.441 543 G HA2 -0.061 3.898 3.960 -0.000 0.000 0.212 543 G HA3 -0.061 3.898 3.960 -0.000 0.000 0.212 543 G C 1.270 176.099 174.900 -0.118 0.000 1.164 543 G CA 0.103 45.159 45.100 -0.074 0.000 0.811 543 G HN 0.263 nan 8.290 nan 0.000 0.535 544 L N 0.291 121.361 121.223 -0.255 0.000 2.217 544 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 544 L C 2.695 179.559 176.870 -0.010 0.000 1.107 544 L CA 0.777 55.452 54.840 -0.275 0.000 0.783 544 L CB -0.286 41.285 42.059 -0.814 0.000 0.919 544 L HN 0.278 nan 8.230 nan 0.000 0.442 545 E N 0.444 120.698 120.200 0.090 0.000 2.150 545 E HA -0.153 4.196 4.350 -0.000 0.000 0.193 545 E C 2.222 178.995 176.600 0.289 0.000 0.985 545 E CA 1.006 57.601 56.400 0.325 0.000 0.814 545 E CB -0.059 29.875 29.700 0.389 0.000 0.752 545 E HN 0.470 nan 8.360 nan 0.000 0.466 546 A N 0.580 123.444 122.820 0.073 0.000 2.119 546 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 546 A C 1.884 179.245 177.584 -0.372 0.000 1.153 546 A CA 0.826 52.586 52.037 -0.461 0.000 0.692 546 A CB -0.000 18.776 19.000 -0.372 0.000 0.799 546 A HN 0.106 nan 8.150 nan 0.000 0.458 547 M N -1.843 117.686 119.600 -0.119 0.000 2.414 547 M HA 0.202 4.682 4.480 -0.000 0.000 0.251 547 M C 1.259 177.570 176.300 0.017 0.000 1.116 547 M CA 0.928 56.190 55.300 -0.065 0.000 1.056 547 M CB -0.539 32.036 32.600 -0.041 0.000 1.388 547 M HN 0.750 nan 8.290 nan 0.000 0.487 548 G N 1.245 110.096 108.800 0.085 0.000 2.204 548 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.244 548 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.244 548 G C 0.195 175.200 174.900 0.175 0.000 1.062 548 G CA 0.060 45.246 45.100 0.142 0.000 0.798 548 G HN 0.319 nan 8.290 nan 0.000 0.496 549 V N 0.158 120.218 119.914 0.243 0.000 3.292 549 V HA 0.375 4.495 4.120 -0.000 0.000 0.372 549 V C 0.645 176.956 176.094 0.362 0.000 1.249 549 V CA 0.117 62.605 62.300 0.313 0.000 1.378 549 V CB -0.324 31.733 31.823 0.390 0.000 1.245 549 V HN 0.324 nan 8.190 nan 0.000 0.467 550 L N 2.834 124.214 121.223 0.261 0.000 2.317 550 L HA 0.569 4.909 4.340 -0.000 0.000 0.281 550 L C -1.935 175.027 176.870 0.154 0.000 1.024 550 L CA -2.037 52.918 54.840 0.192 0.000 0.810 550 L CB 1.026 43.199 42.059 0.191 0.000 1.240 550 L HN 0.031 nan 8.230 nan 0.000 0.427 551 P HA 0.098 nan 4.420 nan 0.000 0.269 551 P C -0.082 177.278 177.300 0.100 0.000 1.217 551 P CA -0.087 63.099 63.100 0.144 0.000 0.783 551 P CB 0.735 32.529 31.700 0.157 0.000 0.898 552 G N 0.004 108.847 108.800 0.072 0.000 2.695 552 G HA2 0.407 4.367 3.960 -0.000 0.000 0.213 552 G HA3 0.407 4.367 3.960 -0.000 0.000 0.213 552 G C 1.136 176.056 174.900 0.034 0.000 1.406 552 G CA 0.169 45.294 45.100 0.042 0.000 1.049 552 G HN 0.451 nan 8.290 nan 0.000 0.573 553 A N -0.556 122.273 122.820 0.016 0.000 1.855 553 A HA 0.011 4.330 4.320 -0.000 0.000 0.215 553 A C 2.249 179.845 177.584 0.019 0.000 1.191 553 A CA 2.419 54.466 52.037 0.016 0.000 0.613 553 A CB -0.677 18.328 19.000 0.008 0.000 0.829 553 A HN 0.514 nan 8.150 nan 0.000 0.442 554 K N -1.353 119.048 120.400 0.001 0.000 1.981 554 K HA -0.063 4.256 4.320 -0.000 0.000 0.228 554 K C 1.412 178.054 176.600 0.070 0.000 1.050 554 K CA 2.715 59.013 56.287 0.017 0.000 1.001 554 K CB -0.662 31.809 32.500 -0.048 0.000 0.738 554 K HN 0.651 nan 8.250 nan 0.000 0.447 555 G N -2.929 105.943 108.800 0.120 0.000 4.259 555 G HA2 0.094 4.054 3.960 -0.000 0.000 0.131 555 G HA3 0.094 4.054 3.960 -0.000 0.000 0.131 555 G C -0.599 174.407 174.900 0.176 0.000 2.033 555 G CA 0.065 45.240 45.100 0.125 0.000 0.934 555 G HN 0.647 nan 8.290 nan 0.000 0.285 556 A N 1.577 124.546 122.820 0.248 0.000 2.498 556 A HA 0.406 4.726 4.320 -0.000 0.000 0.287 556 A C 1.120 178.869 177.584 0.275 0.000 1.000 556 A CA 1.532 53.691 52.037 0.204 0.000 1.036 556 A CB -0.959 18.103 19.000 0.102 0.000 0.842 556 A HN 1.879 nan 8.150 nan 0.000 0.474 557 S N 3.250 119.021 115.700 0.119 0.000 2.690 557 S HA 0.546 5.016 4.470 -0.000 0.000 0.285 557 S C 1.216 175.804 174.600 -0.019 0.000 1.135 557 S CA -0.154 58.111 58.200 0.108 0.000 1.020 557 S CB 0.357 63.523 63.200 -0.058 0.000 1.159 557 S HN 1.184 nan 8.310 nan 0.000 0.534 558 W N 1.390 122.683 121.300 -0.011 0.000 2.468 558 W HA -0.022 4.638 4.660 -0.000 0.000 0.262 558 W C 0.284 176.754 176.519 -0.081 0.000 1.241 558 W CA 1.392 58.682 57.345 -0.092 0.000 1.232 558 W CB -0.702 28.833 29.460 0.125 0.000 1.124 558 W HN 0.833 nan 8.180 nan 0.000 0.597 559 D N -0.017 120.049 120.400 -0.555 0.000 2.433 559 D HA 0.028 4.668 4.640 -0.000 0.000 0.211 559 D C -0.374 175.715 176.300 -0.352 0.000 1.114 559 D CA -0.103 53.601 54.000 -0.493 0.000 0.837 559 D CB -0.515 39.794 40.800 -0.819 0.000 0.984 559 D HN 0.173 nan 8.370 nan 0.000 0.505 560 E N 2.589 122.623 120.200 -0.276 0.000 2.089 560 E HA 0.199 4.549 4.350 -0.000 0.000 0.284 560 E C -2.221 174.317 176.600 -0.102 0.000 1.023 560 E CA -2.088 54.212 56.400 -0.166 0.000 0.819 560 E CB 1.593 31.227 29.700 -0.111 0.000 1.076 560 E HN 0.111 nan 8.360 nan 0.000 0.396 561 P HA 0.025 nan 4.420 nan 0.000 0.256 561 P C 0.062 177.339 177.300 -0.037 0.000 1.688 561 P CA 0.163 63.233 63.100 -0.050 0.000 1.162 561 P CB 0.772 32.438 31.700 -0.057 0.000 1.870 562 G N 2.543 111.320 108.800 -0.038 0.000 2.805 562 G HA2 0.298 4.258 3.960 -0.000 0.000 0.214 562 G HA3 0.298 4.258 3.960 -0.000 0.000 0.214 562 G C 0.545 175.353 174.900 -0.153 0.000 1.220 562 G CA 0.372 45.437 45.100 -0.058 0.000 0.854 562 G HN 0.586 nan 8.290 nan 0.000 0.623 563 A N -0.459 122.129 122.820 -0.387 0.000 2.504 563 A HA 0.404 4.724 4.320 -0.000 0.000 0.242 563 A C 1.081 178.557 177.584 -0.181 0.000 1.100 563 A CA 0.380 52.138 52.037 -0.466 0.000 0.786 563 A CB 0.265 18.907 19.000 -0.596 0.000 1.050 563 A HN 0.387 nan 8.150 nan 0.000 0.512 564 L N -1.784 119.336 121.223 -0.172 0.000 2.547 564 L HA 0.317 4.657 4.340 -0.000 0.000 0.218 564 L C -0.558 176.100 176.870 -0.354 0.000 1.048 564 L CA 1.024 55.684 54.840 -0.300 0.000 0.859 564 L CB -0.087 41.702 42.059 -0.451 0.000 1.128 564 L HN 0.631 nan 8.230 nan 0.000 0.483 565 Y N -0.144 120.206 120.300 0.084 0.000 2.338 565 Y HA 0.727 5.277 4.550 -0.000 0.000 0.328 565 Y C 0.040 175.976 175.900 0.061 0.000 0.965 565 Y CA -1.028 57.152 58.100 0.135 0.000 1.208 565 Y CB 1.074 39.633 38.460 0.165 0.000 1.132 565 Y HN -0.013 nan 8.280 nan 0.000 0.469 566 A N 2.816 125.720 122.820 0.141 0.000 2.498 566 A HA 0.681 5.000 4.320 -0.000 0.000 0.298 566 A C -2.224 175.306 177.584 -0.089 0.000 1.075 566 A CA -0.866 51.137 52.037 -0.056 0.000 0.714 566 A CB 1.199 20.076 19.000 -0.206 0.000 1.299 566 A HN 0.684 nan 8.150 nan 0.000 0.407 567 Y N 1.237 121.401 120.300 -0.226 0.000 2.330 567 Y HA 0.680 5.230 4.550 -0.000 0.000 0.336 567 Y C -1.696 174.091 175.900 -0.188 0.000 1.036 567 Y CA -0.447 57.575 58.100 -0.131 0.000 1.125 567 Y CB 0.903 39.348 38.460 -0.025 0.000 1.194 567 Y HN 0.575 nan 8.280 nan 0.000 0.469 568 Y N 3.312 123.191 120.300 -0.702 0.000 2.393 568 Y HA 0.459 5.009 4.550 -0.000 0.000 0.341 568 Y C 0.742 176.184 175.900 -0.762 0.000 0.988 568 Y CA -1.133 56.608 58.100 -0.598 0.000 1.078 568 Y CB 2.571 40.722 38.460 -0.515 0.000 1.203 568 Y HN 0.831 nan 8.280 nan 0.000 0.453 569 G N 2.691 111.450 108.800 -0.068 0.000 3.502 569 G HA2 0.387 4.347 3.960 -0.000 0.000 0.267 569 G HA3 0.387 4.347 3.960 -0.000 0.000 0.267 569 G C -0.674 174.410 174.900 0.307 0.000 1.090 569 G CA 0.068 45.280 45.100 0.187 0.000 0.795 569 G HN 0.468 nan 8.290 nan 0.000 0.535 570 F N -3.264 116.701 119.950 0.024 0.000 2.878 570 F HA 0.513 5.040 4.527 -0.000 0.000 0.322 570 F C -1.333 174.393 175.800 -0.123 0.000 1.154 570 F CA -1.735 56.246 58.000 -0.032 0.000 0.896 570 F CB 0.830 39.818 39.000 -0.019 0.000 1.313 570 F HN -0.185 nan 8.300 nan 0.000 0.451 571 V N 3.117 123.019 119.914 -0.019 0.000 2.405 571 V HA 0.398 4.518 4.120 -0.000 0.000 0.264 571 V C -1.999 174.022 176.094 -0.122 0.000 1.048 571 V CA -1.114 61.039 62.300 -0.245 0.000 0.966 571 V CB 0.312 32.015 31.823 -0.200 0.000 1.015 571 V HN 0.623 nan 8.190 nan 0.000 0.477 572 P HA 0.380 nan 4.420 nan 0.000 0.282 572 P C -2.690 174.504 177.300 -0.177 0.000 1.287 572 P CA -1.960 61.013 63.100 -0.212 0.000 0.792 572 P CB -0.228 31.013 31.700 -0.765 0.000 1.163 573 P HA -0.007 nan 4.420 nan 0.000 0.268 573 P C 0.702 177.811 177.300 -0.319 0.000 1.205 573 P CA 0.274 63.200 63.100 -0.289 0.000 0.771 573 P CB 0.686 32.069 31.700 -0.529 0.000 0.858 574 E N 1.685 121.695 120.200 -0.315 0.000 2.171 574 E HA -0.283 4.067 4.350 -0.000 0.000 0.197 574 E C 1.451 177.902 176.600 -0.248 0.000 0.997 574 E CA 1.275 57.461 56.400 -0.358 0.000 0.810 574 E CB 0.043 29.539 29.700 -0.339 0.000 0.738 574 E HN 0.388 nan 8.360 nan 0.000 0.467 575 E N 0.131 120.200 120.200 -0.218 0.000 2.153 575 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 575 E C 1.604 178.131 176.600 -0.123 0.000 0.988 575 E CA 1.320 57.629 56.400 -0.152 0.000 0.811 575 E CB -0.212 29.379 29.700 -0.182 0.000 0.746 575 E HN 0.368 nan 8.360 nan 0.000 0.466 576 A N -0.081 122.640 122.820 -0.165 0.000 2.016 576 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 576 A C 1.828 179.390 177.584 -0.037 0.000 1.162 576 A CA 0.592 52.562 52.037 -0.112 0.000 0.662 576 A CB -0.197 18.712 19.000 -0.151 0.000 0.812 576 A HN 0.235 nan 8.150 nan 0.000 0.450 577 L N -0.145 121.037 121.223 -0.069 0.000 2.013 577 L HA 0.041 4.381 4.340 -0.000 0.000 0.204 577 L C 1.305 178.257 176.870 0.137 0.000 1.081 577 L CA 1.127 55.992 54.840 0.042 0.000 0.751 577 L CB -1.390 40.667 42.059 -0.003 0.000 0.901 577 L HN 0.406 nan 8.230 nan 0.000 0.440 578 K N 0.166 120.715 120.400 0.247 0.000 2.434 578 K HA -0.021 4.299 4.320 -0.000 0.000 0.266 578 K C 0.943 177.570 176.600 0.045 0.000 1.096 578 K CA 0.930 57.325 56.287 0.179 0.000 1.182 578 K CB -0.015 32.606 32.500 0.202 0.000 0.813 578 K HN 0.538 nan 8.250 nan 0.000 0.490 579 G N 3.942 112.741 108.800 -0.002 0.000 3.349 579 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.202 579 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.202 579 G C -0.496 174.404 174.900 -0.001 0.000 1.588 579 G CA -0.090 45.005 45.100 -0.008 0.000 1.198 579 G HN 0.627 nan 8.290 nan 0.000 0.588 580 K N 1.222 121.626 120.400 0.006 0.000 2.619 580 K HA 0.004 4.324 4.320 -0.000 0.000 0.278 580 K C 1.602 178.236 176.600 0.055 0.000 0.969 580 K CA 0.736 57.026 56.287 0.004 0.000 1.042 580 K CB 0.427 32.947 32.500 0.035 0.000 0.845 580 K HN 0.476 nan 8.250 nan 0.000 0.497 581 R N 0.907 121.422 120.500 0.024 0.000 2.062 581 R HA 0.001 4.341 4.340 -0.000 0.000 0.226 581 R C 0.338 176.956 176.300 0.530 0.000 1.125 581 R CA 0.916 57.115 56.100 0.164 0.000 0.966 581 R CB 0.072 30.351 30.300 -0.035 0.000 0.861 581 R HN 0.422 nan 8.270 nan 0.000 0.433 582 F N 0.675 120.846 119.950 0.368 0.000 2.561 582 F HA 0.311 4.838 4.527 -0.000 0.000 0.313 582 F C -1.088 174.913 175.800 0.335 0.000 1.126 582 F CA -1.539 56.779 58.000 0.530 0.000 0.918 582 F CB 1.805 41.094 39.000 0.482 0.000 1.199 582 F HN -0.278 nan 8.300 nan 0.000 0.444 583 V N 4.446 124.159 119.914 -0.334 0.000 2.443 583 V HA 0.737 4.857 4.120 -0.000 0.000 0.293 583 V C -1.077 174.755 176.094 -0.436 0.000 1.021 583 V CA -0.974 61.139 62.300 -0.313 0.000 0.848 583 V CB 0.966 32.661 31.823 -0.213 0.000 0.998 583 V HN 0.725 nan 8.190 nan 0.000 0.424 584 V N 2.898 122.657 119.914 -0.258 0.000 2.328 584 V HA 0.620 4.740 4.120 -0.000 0.000 0.278 584 V C -0.007 176.022 176.094 -0.108 0.000 1.021 584 V CA -0.589 61.622 62.300 -0.148 0.000 0.838 584 V CB 0.966 32.806 31.823 0.028 0.000 0.999 584 V HN 0.902 nan 8.190 nan 0.000 0.447 585 M N 4.750 124.301 119.600 -0.082 0.000 2.063 585 M HA 0.377 4.857 4.480 -0.000 0.000 0.348 585 M C 0.127 176.439 176.300 0.020 0.000 1.180 585 M CA -0.142 55.114 55.300 -0.073 0.000 1.059 585 M CB 0.728 33.283 32.600 -0.075 0.000 1.544 585 M HN 0.805 nan 8.290 nan 0.000 0.447 586 H N 4.877 123.861 119.070 -0.144 0.000 2.680 586 H HA 0.369 4.925 4.556 -0.000 0.000 0.224 586 H C -0.567 174.804 175.328 0.071 0.000 1.866 586 H CA -0.390 55.678 56.048 0.032 0.000 1.302 586 H CB 0.319 30.189 29.762 0.180 0.000 1.709 586 H HN 0.664 nan 8.280 nan 0.000 0.537 587 L N 0.460 121.712 121.223 0.049 0.000 2.600 587 L HA 0.048 4.388 4.340 -0.000 0.000 0.221 587 L C 1.465 178.373 176.870 0.063 0.000 1.197 587 L CA 0.284 55.152 54.840 0.046 0.000 0.838 587 L CB 1.040 43.148 42.059 0.082 0.000 1.474 587 L HN 0.461 nan 8.230 nan 0.000 0.514 588 S N -3.141 112.671 115.700 0.188 0.000 2.593 588 S HA 0.219 4.689 4.470 -0.000 0.000 0.235 588 S C 0.032 174.843 174.600 0.351 0.000 1.059 588 S CA -0.417 57.950 58.200 0.279 0.000 0.953 588 S CB 0.230 63.667 63.200 0.394 0.000 0.897 588 S HN 0.590 nan 8.310 nan 0.000 0.507 589 H N 0.427 119.571 119.070 0.125 0.000 2.747 589 H HA 0.648 5.204 4.556 -0.000 0.000 0.371 589 H C -1.212 174.176 175.328 0.100 0.000 1.161 589 H CA -1.193 54.929 56.048 0.123 0.000 1.167 589 H CB 1.062 30.917 29.762 0.155 0.000 1.732 589 H HN 0.118 nan 8.280 nan 0.000 0.544 590 L N 3.297 124.636 121.223 0.193 0.000 2.342 590 L HA 0.132 4.471 4.340 -0.000 0.000 0.285 590 L C -0.199 176.762 176.870 0.152 0.000 1.095 590 L CA 0.055 54.980 54.840 0.141 0.000 0.843 590 L CB -0.795 41.319 42.059 0.092 0.000 1.201 590 L HN 0.604 nan 8.230 nan 0.000 0.445 591 H N 6.866 125.965 119.070 0.048 0.000 2.525 591 H HA 0.301 4.857 4.556 -0.000 0.000 0.339 591 H C -2.018 173.307 175.328 -0.004 0.000 1.109 591 H CA -2.177 53.879 56.048 0.014 0.000 1.352 591 H CB 1.628 31.378 29.762 -0.019 0.000 1.461 591 H HN 0.427 nan 8.280 nan 0.000 0.533 592 P HA -0.159 nan 4.420 nan 0.000 0.216 592 P C 1.925 179.342 177.300 0.196 0.000 1.150 592 P CA 0.636 63.878 63.100 0.237 0.000 0.837 592 P CB 0.406 32.188 31.700 0.137 0.000 0.786 593 L N -1.358 119.973 121.223 0.180 0.000 2.265 593 L HA -0.143 4.197 4.340 -0.000 0.000 0.215 593 L C 2.062 178.797 176.870 -0.226 0.000 1.117 593 L CA 1.885 56.546 54.840 -0.299 0.000 0.782 593 L CB -1.344 40.246 42.059 -0.782 0.000 0.914 593 L HN -0.001 nan 8.230 nan 0.000 0.441 594 A N 0.666 123.423 122.820 -0.104 0.000 1.861 594 A HA -0.148 4.172 4.320 -0.000 0.000 0.212 594 A C 1.852 179.447 177.584 0.019 0.000 1.199 594 A CA 0.799 52.802 52.037 -0.056 0.000 0.613 594 A CB -0.390 18.598 19.000 -0.020 0.000 0.846 594 A HN 0.572 nan 8.150 nan 0.000 0.446 595 E N -0.390 119.842 120.200 0.053 0.000 2.520 595 E HA -0.081 4.269 4.350 -0.000 0.000 0.201 595 E C 1.013 177.661 176.600 0.080 0.000 1.122 595 E CA 0.643 57.080 56.400 0.061 0.000 0.896 595 E CB -0.168 29.569 29.700 0.062 0.000 0.891 595 E HN 0.605 nan 8.360 nan 0.000 0.533 596 R N -1.445 119.130 120.500 0.126 0.000 2.544 596 R HA 0.181 4.521 4.340 -0.000 0.000 0.303 596 R C 0.093 176.558 176.300 0.276 0.000 0.939 596 R CA 0.040 56.258 56.100 0.196 0.000 1.102 596 R CB 0.610 31.061 30.300 0.251 0.000 1.440 596 R HN 0.103 nan 8.270 nan 0.000 0.532 597 Y N -0.771 119.468 120.300 -0.101 0.000 2.590 597 Y HA 0.473 5.023 4.550 -0.000 0.000 0.263 597 Y C 0.270 176.009 175.900 -0.269 0.000 1.069 597 Y CA -1.016 56.989 58.100 -0.160 0.000 1.242 597 Y CB 0.953 39.313 38.460 -0.167 0.000 1.357 597 Y HN -0.059 nan 8.280 nan 0.000 0.556 598 A N -0.615 122.163 122.820 -0.071 0.000 2.306 598 A HA 0.484 4.803 4.320 -0.000 0.000 0.314 598 A C 0.003 177.497 177.584 -0.151 0.000 1.164 598 A CA -0.160 51.773 52.037 -0.174 0.000 0.822 598 A CB 0.424 19.369 19.000 -0.092 0.000 1.130 598 A HN 0.549 nan 8.150 nan 0.000 0.496 599 H N 0.589 119.575 119.070 -0.140 0.000 2.406 599 H HA 0.271 4.827 4.556 -0.000 0.000 0.304 599 H C -0.443 174.829 175.328 -0.093 0.000 1.042 599 H CA 0.538 56.516 56.048 -0.117 0.000 1.360 599 H CB 0.752 30.378 29.762 -0.226 0.000 1.448 599 H HN 0.329 nan 8.280 nan 0.000 0.553 600 V N 2.290 122.159 119.914 -0.076 0.000 2.447 600 V HA 0.210 4.330 4.120 -0.000 0.000 0.292 600 V C -0.809 175.253 176.094 -0.053 0.000 1.021 600 V CA -0.671 61.610 62.300 -0.031 0.000 0.850 600 V CB 2.175 34.011 31.823 0.022 0.000 1.005 600 V HN -0.023 nan 8.190 nan 0.000 0.426 601 V N 6.914 126.807 119.914 -0.035 0.000 2.370 601 V HA 0.550 4.670 4.120 -0.000 0.000 0.283 601 V C -0.389 175.688 176.094 -0.027 0.000 1.023 601 V CA -0.407 61.884 62.300 -0.015 0.000 0.857 601 V CB 1.579 33.403 31.823 0.001 0.000 0.985 601 V HN 0.636 nan 8.190 nan 0.000 0.443 602 L N 7.866 129.113 121.223 0.040 0.000 2.342 602 L HA 0.641 4.981 4.340 -0.000 0.000 0.271 602 L C -2.414 174.611 176.870 0.258 0.000 1.008 602 L CA -1.757 53.108 54.840 0.042 0.000 0.818 602 L CB 2.102 44.162 42.059 0.002 0.000 1.296 602 L HN 0.394 nan 8.230 nan 0.000 0.427 603 P HA 0.371 nan 4.420 nan 0.000 0.281 603 P C -1.336 176.169 177.300 0.341 0.000 1.252 603 P CA -0.267 62.989 63.100 0.260 0.000 0.778 603 P CB 1.640 33.482 31.700 0.235 0.000 0.895 604 A N 5.448 128.331 122.820 0.104 0.000 2.423 604 A HA 0.824 5.144 4.320 -0.000 0.000 0.304 604 A C -2.622 174.986 177.584 0.039 0.000 1.104 604 A CA -2.018 49.993 52.037 -0.045 0.000 0.757 604 A CB 1.080 19.628 19.000 -0.754 0.000 1.313 604 A HN 0.369 nan 8.150 nan 0.000 0.423 605 P HA 0.306 nan 4.420 nan 0.000 0.277 605 P C 0.063 177.405 177.300 0.070 0.000 1.240 605 P CA 0.073 63.208 63.100 0.058 0.000 0.798 605 P CB 0.877 32.606 31.700 0.049 0.000 0.979 606 T N -1.272 113.320 114.554 0.063 0.000 2.816 606 T HA 0.199 4.549 4.350 -0.000 0.000 0.282 606 T C 1.300 175.997 174.700 -0.004 0.000 0.993 606 T CA -0.503 61.642 62.100 0.075 0.000 0.994 606 T CB -0.066 68.794 68.868 -0.015 0.000 1.025 606 T HN 0.408 nan 8.240 nan 0.000 0.529 607 F N -0.708 119.217 119.950 -0.042 0.000 2.307 607 F HA -0.030 4.497 4.527 -0.000 0.000 0.301 607 F C 1.773 177.500 175.800 -0.121 0.000 1.076 607 F CA 0.433 58.356 58.000 -0.127 0.000 1.383 607 F CB -1.247 37.631 39.000 -0.204 0.000 1.055 607 F HN 0.487 nan 8.300 nan 0.000 0.526 608 Y N 1.932 121.819 120.300 -0.687 0.000 2.181 608 Y HA -0.149 4.401 4.550 -0.000 0.000 0.288 608 Y C 2.285 178.050 175.900 -0.225 0.000 1.146 608 Y CA 1.602 59.401 58.100 -0.502 0.000 1.164 608 Y CB -0.815 37.298 38.460 -0.579 0.000 0.982 608 Y HN 0.397 nan 8.280 nan 0.000 0.515 609 E N -0.300 119.881 120.200 -0.032 0.000 2.465 609 E HA 0.129 4.479 4.350 -0.000 0.000 0.195 609 E C 0.333 176.920 176.600 -0.021 0.000 1.028 609 E CA -0.094 56.291 56.400 -0.026 0.000 0.899 609 E CB 0.237 29.918 29.700 -0.033 0.000 1.032 609 E HN 0.274 nan 8.360 nan 0.000 0.468 610 K N 1.196 121.587 120.400 -0.015 0.000 2.627 610 K HA 0.386 4.706 4.320 -0.000 0.000 0.269 610 K C 0.021 176.580 176.600 -0.067 0.000 1.029 610 K CA -0.572 55.701 56.287 -0.024 0.000 1.026 610 K CB 0.889 33.391 32.500 0.002 0.000 1.350 610 K HN -0.067 nan 8.250 nan 0.000 0.506 611 R N -0.976 119.449 120.500 -0.124 0.000 2.604 611 R HA 0.436 4.776 4.340 -0.000 0.000 0.270 611 R C -1.254 174.849 176.300 -0.328 0.000 1.052 611 R CA -0.085 55.870 56.100 -0.243 0.000 0.902 611 R CB 1.821 31.914 30.300 -0.344 0.000 1.233 611 R HN 0.840 nan 8.270 nan 0.000 0.455 612 G N 2.040 110.609 108.800 -0.384 0.000 2.359 612 G HA2 0.075 4.035 3.960 -0.000 0.000 0.303 612 G HA3 0.075 4.035 3.960 -0.000 0.000 0.303 612 G C -1.923 172.834 174.900 -0.238 0.000 1.293 612 G CA -0.903 43.957 45.100 -0.401 0.000 0.964 612 G HN 0.584 nan 8.290 nan 0.000 0.531 613 H N -1.042 118.032 119.070 0.006 0.000 2.651 613 H HA 0.864 5.420 4.556 -0.000 0.000 0.353 613 H C -0.208 175.100 175.328 -0.033 0.000 1.178 613 H CA -0.390 55.657 56.048 -0.002 0.000 1.224 613 H CB 1.521 31.293 29.762 0.016 0.000 1.702 613 H HN 0.481 nan 8.280 nan 0.000 0.550 614 L N 0.192 121.476 121.223 0.102 0.000 2.327 614 L HA 0.456 4.796 4.340 -0.000 0.000 0.258 614 L C -0.466 176.404 176.870 -0.001 0.000 1.024 614 L CA -0.944 53.901 54.840 0.007 0.000 0.825 614 L CB 2.064 44.101 42.059 -0.036 0.000 1.386 614 L HN 0.264 nan 8.230 nan 0.000 0.417 615 V N 1.117 121.014 119.914 -0.028 0.000 2.334 615 V HA 0.397 4.517 4.120 -0.000 0.000 0.281 615 V C 0.101 176.183 176.094 -0.020 0.000 1.016 615 V CA -0.841 61.450 62.300 -0.016 0.000 0.832 615 V CB 1.023 32.843 31.823 -0.005 0.000 0.999 615 V HN 0.702 nan 8.190 nan 0.000 0.439 616 N N 2.892 121.585 118.700 -0.011 0.000 2.340 616 N HA 0.067 4.807 4.740 -0.000 0.000 0.236 616 N C 1.223 176.733 175.510 -0.001 0.000 1.296 616 N CA -0.030 53.013 53.050 -0.012 0.000 0.896 616 N CB 1.018 39.503 38.487 -0.005 0.000 1.127 616 N HN 0.813 nan 8.380 nan 0.000 0.442 617 L N 0.177 121.396 121.223 -0.006 0.000 2.549 617 L HA 0.044 4.384 4.340 -0.000 0.000 0.229 617 L C 1.083 177.958 176.870 0.008 0.000 1.158 617 L CA 1.200 56.039 54.840 -0.001 0.000 0.842 617 L CB -0.217 41.832 42.059 -0.016 0.000 0.952 617 L HN 0.647 nan 8.230 nan 0.000 0.452 618 E N -0.406 119.800 120.200 0.010 0.000 2.465 618 E HA 0.256 4.606 4.350 -0.000 0.000 0.195 618 E C 1.259 177.877 176.600 0.030 0.000 1.028 618 E CA 0.264 56.674 56.400 0.018 0.000 0.899 618 E CB 0.372 30.079 29.700 0.011 0.000 1.032 618 E HN 0.400 nan 8.360 nan 0.000 0.468 619 G N 2.052 110.874 108.800 0.036 0.000 2.184 619 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.264 619 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.264 619 G C 0.323 175.242 174.900 0.032 0.000 0.975 619 G CA 0.387 45.516 45.100 0.049 0.000 0.642 619 G HN 0.395 nan 8.290 nan 0.000 0.536 620 R N 0.346 120.856 120.500 0.017 0.000 2.543 620 R HA 0.465 4.805 4.340 -0.000 0.000 0.277 620 R C 0.750 177.047 176.300 -0.004 0.000 1.074 620 R CA 0.250 56.354 56.100 0.006 0.000 1.076 620 R CB 0.682 30.984 30.300 0.004 0.000 0.993 620 R HN 0.613 nan 8.270 nan 0.000 0.459 621 V N 3.893 123.796 119.914 -0.019 0.000 2.370 621 V HA 0.472 4.592 4.120 -0.000 0.000 0.279 621 V C -0.381 175.685 176.094 -0.046 0.000 1.029 621 V CA -0.761 61.518 62.300 -0.034 0.000 0.870 621 V CB 1.057 32.843 31.823 -0.062 0.000 0.984 621 V HN 0.559 nan 8.190 nan 0.000 0.451 622 L N 7.019 128.233 121.223 -0.014 0.000 2.346 622 L HA 0.664 5.004 4.340 -0.000 0.000 0.274 622 L C -2.195 174.710 176.870 0.059 0.000 1.007 622 L CA -1.973 52.870 54.840 0.005 0.000 0.818 622 L CB 2.713 44.776 42.059 0.008 0.000 1.284 622 L HN 0.434 nan 8.230 nan 0.000 0.424 623 P HA 0.280 nan 4.420 nan 0.000 0.276 623 P C -1.203 176.170 177.300 0.120 0.000 1.252 623 P CA -0.400 62.810 63.100 0.185 0.000 0.802 623 P CB 1.717 33.497 31.700 0.133 0.000 1.035 624 L N 0.698 121.979 121.223 0.098 0.000 2.441 624 L HA 0.298 4.638 4.340 -0.000 0.000 0.270 624 L C 0.177 177.051 176.870 0.005 0.000 0.973 624 L CA -0.316 54.553 54.840 0.048 0.000 0.842 624 L CB 1.965 44.041 42.059 0.028 0.000 1.239 624 L HN 0.357 nan 8.230 nan 0.000 0.406 625 S N 3.983 119.697 115.700 0.023 0.000 2.687 625 S HA 0.641 5.111 4.470 -0.000 0.000 0.283 625 S C -2.562 172.034 174.600 -0.007 0.000 1.170 625 S CA -1.076 57.124 58.200 -0.001 0.000 1.008 625 S CB 1.691 64.899 63.200 0.014 0.000 1.026 625 S HN 0.370 nan 8.310 nan 0.000 0.541 626 P HA 0.425 nan 4.420 nan 0.000 0.304 626 P C -1.611 175.673 177.300 -0.027 0.000 1.366 626 P CA -0.528 62.555 63.100 -0.028 0.000 0.859 626 P CB 1.101 32.776 31.700 -0.043 0.000 0.961 627 A N 5.849 128.650 122.820 -0.031 0.000 2.354 627 A HA 0.502 4.821 4.320 -0.000 0.000 0.269 627 A C -1.991 175.557 177.584 -0.059 0.000 1.109 627 A CA -1.565 50.440 52.037 -0.054 0.000 0.800 627 A CB -0.672 18.276 19.000 -0.087 0.000 1.045 627 A HN 0.348 nan 8.150 nan 0.000 0.489 628 P HA 0.173 nan 4.420 nan 0.000 0.228 628 P C -0.428 176.832 177.300 -0.066 0.000 1.748 628 P CA 0.207 63.275 63.100 -0.054 0.000 0.909 628 P CB -0.513 31.159 31.700 -0.047 0.000 1.882 629 I N -0.782 119.742 120.570 -0.076 0.000 3.276 629 I HA 0.199 4.368 4.170 -0.000 0.000 0.306 629 I C 1.080 177.160 176.117 -0.061 0.000 1.060 629 I CA -0.908 60.340 61.300 -0.087 0.000 1.133 629 I CB 0.509 38.440 38.000 -0.116 0.000 1.473 629 I HN -0.111 nan 8.210 nan 0.000 0.649 630 E N 2.724 122.888 120.200 -0.060 0.000 1.814 630 E HA -0.010 4.340 4.350 -0.000 0.000 0.264 630 E C 0.860 177.443 176.600 -0.027 0.000 1.179 630 E CA -0.193 56.183 56.400 -0.039 0.000 0.972 630 E CB -0.290 29.388 29.700 -0.037 0.000 1.077 630 E HN 0.506 nan 8.360 nan 0.000 0.417 631 N N 3.794 122.485 118.700 -0.015 0.000 2.104 631 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 631 N C 1.173 176.700 175.510 0.029 0.000 1.024 631 N CA 1.225 54.279 53.050 0.007 0.000 0.853 631 N CB -0.564 37.929 38.487 0.010 0.000 1.008 631 N HN 0.466 nan 8.380 nan 0.000 0.424 632 G N 0.936 109.752 108.800 0.026 0.000 2.498 632 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.245 632 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.245 632 G C -0.627 174.318 174.900 0.075 0.000 1.204 632 G CA 0.142 45.270 45.100 0.048 0.000 0.933 632 G HN 0.356 nan 8.290 nan 0.000 0.574 633 E N 1.614 121.892 120.200 0.131 0.000 2.462 633 E HA 0.514 4.864 4.350 -0.000 0.000 0.255 633 E C 0.565 177.359 176.600 0.324 0.000 1.311 633 E CA 0.347 56.865 56.400 0.196 0.000 1.629 633 E CB 0.044 29.905 29.700 0.269 0.000 1.510 633 E HN 0.808 nan 8.360 nan 0.000 0.438 634 A N 1.333 124.282 122.820 0.215 0.000 2.330 634 A HA 0.619 4.939 4.320 -0.000 0.000 0.329 634 A C -0.206 177.466 177.584 0.147 0.000 1.135 634 A CA -0.576 51.641 52.037 0.300 0.000 0.817 634 A CB 1.432 20.576 19.000 0.240 0.000 1.269 634 A HN 0.202 nan 8.150 nan 0.000 0.469 635 E N -0.221 120.110 120.200 0.218 0.000 2.408 635 E HA 0.479 4.829 4.350 -0.000 0.000 0.275 635 E C -0.182 176.567 176.600 0.248 0.000 0.935 635 E CA -0.771 55.669 56.400 0.066 0.000 0.775 635 E CB 2.111 31.672 29.700 -0.232 0.000 1.277 635 E HN 0.877 nan 8.360 nan 0.000 0.455 636 G N 0.068 108.960 108.800 0.153 0.000 2.544 636 G HA2 0.268 4.228 3.960 -0.000 0.000 0.242 636 G HA3 0.268 4.228 3.960 -0.000 0.000 0.242 636 G C 0.863 175.931 174.900 0.281 0.000 1.247 636 G CA 0.324 45.556 45.100 0.221 0.000 0.840 636 G HN 0.511 nan 8.290 nan 0.000 0.578 637 A N 1.299 124.368 122.820 0.415 0.000 2.139 637 A HA -0.089 4.231 4.320 -0.000 0.000 0.221 637 A C 2.236 179.852 177.584 0.054 0.000 1.159 637 A CA 1.367 53.567 52.037 0.272 0.000 0.662 637 A CB -0.296 18.929 19.000 0.375 0.000 0.796 637 A HN 0.630 nan 8.150 nan 0.000 0.463 638 L N -1.142 120.107 121.223 0.042 0.000 2.131 638 L HA -0.150 4.189 4.340 -0.000 0.000 0.210 638 L C 2.400 179.266 176.870 -0.006 0.000 1.092 638 L CA 2.408 57.241 54.840 -0.011 0.000 0.759 638 L CB -0.377 41.673 42.059 -0.015 0.000 0.903 638 L HN 0.531 nan 8.230 nan 0.000 0.435 639 Q N -1.484 118.310 119.800 -0.010 0.000 2.063 639 Q HA -0.058 4.282 4.340 -0.000 0.000 0.194 639 Q C 2.133 178.121 176.000 -0.020 0.000 0.974 639 Q CA 1.833 57.613 55.803 -0.039 0.000 0.827 639 Q CB -0.377 28.299 28.738 -0.105 0.000 0.902 639 Q HN 0.248 nan 8.270 nan 0.000 0.462 640 V N 1.239 121.149 119.914 -0.008 0.000 2.313 640 V HA -0.327 3.792 4.120 -0.000 0.000 0.253 640 V C 2.333 178.398 176.094 -0.048 0.000 1.070 640 V CA 1.875 64.188 62.300 0.020 0.000 1.057 640 V CB -0.694 31.020 31.823 -0.182 0.000 0.653 640 V HN 0.398 nan 8.190 nan 0.000 0.450 641 L N -0.379 120.764 121.223 -0.132 0.000 1.994 641 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 641 L C 2.765 179.606 176.870 -0.049 0.000 1.071 641 L CA 1.829 56.562 54.840 -0.178 0.000 0.745 641 L CB -0.865 41.085 42.059 -0.180 0.000 0.892 641 L HN 0.393 nan 8.230 nan 0.000 0.431 642 A N -0.343 122.473 122.820 -0.006 0.000 1.948 642 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 642 A C 2.157 179.763 177.584 0.038 0.000 1.177 642 A CA 1.774 53.827 52.037 0.027 0.000 0.636 642 A CB -0.660 18.358 19.000 0.029 0.000 0.815 642 A HN 0.352 nan 8.150 nan 0.000 0.449 643 L N -0.671 120.580 121.223 0.046 0.000 2.072 643 L HA 0.007 4.347 4.340 -0.000 0.000 0.205 643 L C 2.200 179.214 176.870 0.240 0.000 1.079 643 L CA 1.890 56.790 54.840 0.100 0.000 0.752 643 L CB -0.389 41.749 42.059 0.132 0.000 0.906 643 L HN 0.506 nan 8.230 nan 0.000 0.436 644 L N -1.324 120.000 121.223 0.168 0.000 2.552 644 L HA 0.124 4.464 4.340 -0.000 0.000 0.227 644 L C 2.004 178.938 176.870 0.107 0.000 1.146 644 L CA 0.974 55.910 54.840 0.160 0.000 0.858 644 L CB -0.266 41.862 42.059 0.115 0.000 0.969 644 L HN 0.216 nan 8.230 nan 0.000 0.451 645 A N -0.425 122.448 122.820 0.089 0.000 1.984 645 A HA -0.055 4.265 4.320 -0.000 0.000 0.214 645 A C 2.092 179.726 177.584 0.082 0.000 1.173 645 A CA 0.846 52.922 52.037 0.064 0.000 0.673 645 A CB -0.216 18.812 19.000 0.047 0.000 0.830 645 A HN 0.538 nan 8.150 nan 0.000 0.453 646 E N 0.041 120.321 120.200 0.133 0.000 2.028 646 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 646 E C 1.998 178.677 176.600 0.132 0.000 0.988 646 E CA 0.917 57.413 56.400 0.160 0.000 0.799 646 E CB -0.245 29.614 29.700 0.266 0.000 0.755 646 E HN 0.539 nan 8.360 nan 0.000 0.447 647 A N 0.544 123.452 122.820 0.146 0.000 2.277 647 A HA -0.074 4.246 4.320 -0.000 0.000 0.208 647 A C 1.699 179.264 177.584 -0.032 0.000 1.202 647 A CA 0.782 52.813 52.037 -0.011 0.000 0.762 647 A CB -0.284 18.666 19.000 -0.082 0.000 0.770 647 A HN 0.161 nan 8.150 nan 0.000 0.487 648 L N -3.745 117.482 121.223 0.006 0.000 2.653 648 L HA 0.367 4.706 4.340 -0.000 0.000 0.230 648 L C 1.601 178.468 176.870 -0.006 0.000 1.055 648 L CA 0.660 55.493 54.840 -0.012 0.000 0.880 648 L CB 0.392 42.456 42.059 0.009 0.000 1.195 648 L HN 0.509 nan 8.230 nan 0.000 0.492 649 G N -0.243 108.565 108.800 0.012 0.000 2.010 649 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.088 649 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.088 649 G C -0.419 174.492 174.900 0.019 0.000 1.216 649 G CA -0.183 44.923 45.100 0.010 0.000 1.074 649 G HN -0.192 nan 8.290 nan 0.000 0.300 650 V N 3.570 123.494 119.914 0.017 0.000 2.694 650 V HA 0.389 4.509 4.120 -0.000 0.000 0.306 650 V C 1.085 177.191 176.094 0.020 0.000 1.054 650 V CA 0.617 62.926 62.300 0.014 0.000 1.161 650 V CB 0.731 32.559 31.823 0.010 0.000 0.916 650 V HN 0.904 nan 8.190 nan 0.000 0.490 651 R N 7.211 127.719 120.500 0.012 0.000 2.401 651 R HA 0.366 4.706 4.340 -0.000 0.000 0.299 651 R C -2.347 173.953 176.300 -0.001 0.000 1.064 651 R CA -1.081 55.025 56.100 0.010 0.000 1.000 651 R CB -0.507 29.793 30.300 -0.000 0.000 0.973 651 R HN 0.520 nan 8.270 nan 0.000 0.438 652 P HA 0.100 nan 4.420 nan 0.000 0.270 652 P C -2.112 175.162 177.300 -0.044 0.000 1.223 652 P CA -1.351 61.759 63.100 0.016 0.000 0.785 652 P CB 0.488 32.221 31.700 0.055 0.000 0.923 653 P HA 0.180 nan 4.420 nan 0.000 0.239 653 P C -0.341 176.661 177.300 -0.497 0.000 1.188 653 P CA 0.765 63.654 63.100 -0.352 0.000 0.794 653 P CB 0.137 31.514 31.700 -0.538 0.000 0.937 654 F N -0.773 119.165 119.950 -0.019 0.000 2.444 654 F HA 0.440 4.967 4.527 -0.000 0.000 0.342 654 F C 1.569 177.354 175.800 -0.025 0.000 1.121 654 F CA -0.720 57.268 58.000 -0.021 0.000 0.997 654 F CB 1.928 40.918 39.000 -0.017 0.000 1.130 654 F HN -0.377 nan 8.300 nan 0.000 0.454 655 R N 2.020 122.604 120.500 0.139 0.000 1.970 655 R HA 0.409 4.749 4.340 -0.000 0.000 0.200 655 R C 0.028 176.372 176.300 0.073 0.000 1.457 655 R CA 0.151 56.291 56.100 0.068 0.000 1.139 655 R CB 0.055 30.366 30.300 0.019 0.000 0.977 655 R HN 0.613 nan 8.270 nan 0.000 0.477 656 L N -3.365 117.902 121.223 0.073 0.000 2.391 656 L HA 0.451 4.791 4.340 -0.000 0.000 0.266 656 L C 1.424 178.362 176.870 0.113 0.000 1.035 656 L CA -0.740 54.143 54.840 0.072 0.000 0.877 656 L CB 0.340 42.426 42.059 0.044 0.000 1.504 656 L HN 0.095 nan 8.230 nan 0.000 0.503 657 H N -0.159 118.911 119.070 -0.001 0.000 2.307 657 H HA -0.047 4.509 4.556 -0.000 0.000 0.303 657 H C 1.982 177.315 175.328 0.008 0.000 1.073 657 H CA 2.162 58.200 56.048 -0.016 0.000 1.338 657 H CB 0.397 30.130 29.762 -0.047 0.000 1.389 657 H HN 0.657 nan 8.280 nan 0.000 0.503 658 L N 1.015 122.195 121.223 -0.072 0.000 2.129 658 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 658 L C 2.000 178.812 176.870 -0.096 0.000 1.087 658 L CA 1.585 56.353 54.840 -0.119 0.000 0.757 658 L CB -0.077 41.968 42.059 -0.024 0.000 0.896 658 L HN 0.388 nan 8.230 nan 0.000 0.434 659 E N -0.719 119.462 120.200 -0.032 0.000 2.216 659 E HA 0.004 4.354 4.350 -0.000 0.000 0.192 659 E C 2.119 178.756 176.600 0.061 0.000 0.973 659 E CA 0.899 57.299 56.400 0.000 0.000 0.851 659 E CB -0.030 29.676 29.700 0.009 0.000 0.804 659 E HN 0.545 nan 8.360 nan 0.000 0.477 660 A N 1.721 124.620 122.820 0.132 0.000 1.969 660 A HA -0.169 4.150 4.320 -0.000 0.000 0.218 660 A C 2.115 179.781 177.584 0.138 0.000 1.169 660 A CA 0.936 53.166 52.037 0.322 0.000 0.635 660 A CB -0.228 18.882 19.000 0.183 0.000 0.810 660 A HN 0.040 nan 8.150 nan 0.000 0.445 661 Q N 0.355 120.114 119.800 -0.068 0.000 2.112 661 Q HA -0.213 4.127 4.340 -0.000 0.000 0.206 661 Q C 1.885 177.891 176.000 0.010 0.000 0.987 661 Q CA 1.781 57.533 55.803 -0.085 0.000 0.858 661 Q CB -0.423 28.198 28.738 -0.195 0.000 0.905 661 Q HN 0.693 nan 8.270 nan 0.000 0.420 662 K N 0.040 120.446 120.400 0.011 0.000 2.160 662 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 662 K C 1.899 178.525 176.600 0.042 0.000 1.047 662 K CA 1.256 57.552 56.287 0.015 0.000 0.930 662 K CB -0.091 32.404 32.500 -0.007 0.000 0.720 662 K HN 0.161 nan 8.250 nan 0.000 0.450 663 A N 0.615 123.498 122.820 0.105 0.000 2.072 663 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 663 A C 1.950 179.614 177.584 0.133 0.000 1.156 663 A CA 0.628 52.749 52.037 0.139 0.000 0.701 663 A CB -0.128 19.048 19.000 0.293 0.000 0.816 663 A HN 0.117 nan 8.150 nan 0.000 0.458 664 L N -0.986 120.305 121.223 0.113 0.000 2.102 664 L HA -0.005 4.335 4.340 -0.000 0.000 0.202 664 L C 2.438 179.338 176.870 0.049 0.000 1.076 664 L CA 1.296 56.180 54.840 0.074 0.000 0.761 664 L CB -0.292 41.816 42.059 0.082 0.000 0.921 664 L HN 0.359 nan 8.230 nan 0.000 0.444 665 K N 0.552 120.979 120.400 0.045 0.000 2.442 665 K HA -0.141 4.179 4.320 -0.000 0.000 0.198 665 K C 1.826 178.439 176.600 0.021 0.000 1.044 665 K CA 0.914 57.218 56.287 0.028 0.000 0.948 665 K CB 0.129 32.642 32.500 0.022 0.000 0.762 665 K HN 0.287 nan 8.250 nan 0.000 0.472 666 A N 1.340 124.176 122.820 0.026 0.000 1.843 666 A HA -0.052 4.268 4.320 -0.000 0.000 0.213 666 A C 1.863 179.456 177.584 0.016 0.000 1.202 666 A CA 0.783 52.832 52.037 0.019 0.000 0.607 666 A CB -0.356 18.657 19.000 0.020 0.000 0.847 666 A HN 0.252 nan 8.150 nan 0.000 0.445 667 R N -0.361 120.151 120.500 0.019 0.000 2.355 667 R HA -0.065 4.275 4.340 -0.000 0.000 0.219 667 R C -0.351 175.948 176.300 -0.001 0.000 1.107 667 R CA 1.000 57.103 56.100 0.004 0.000 1.021 667 R CB -0.384 29.912 30.300 -0.008 0.000 0.852 667 R HN 0.546 nan 8.270 nan 0.000 0.475 668 K N -0.049 120.355 120.400 0.006 0.000 3.181 668 K HA -0.114 4.206 4.320 -0.000 0.000 0.269 668 K C -0.748 175.853 176.600 0.002 0.000 1.097 668 K CA 0.366 56.657 56.287 0.007 0.000 0.783 668 K CB -1.459 31.047 32.500 0.011 0.000 1.267 668 K HN 0.037 nan 8.250 nan 0.000 0.484 669 V N 1.863 121.777 119.914 -0.000 0.000 2.406 669 V HA 0.337 4.457 4.120 -0.000 0.000 0.272 669 V C -1.548 174.541 176.094 -0.009 0.000 1.043 669 V CA -1.839 60.457 62.300 -0.006 0.000 0.915 669 V CB 0.784 32.603 31.823 -0.006 0.000 0.988 669 V HN 0.186 nan 8.190 nan 0.000 0.466 670 P HA 0.059 nan 4.420 nan 0.000 0.270 670 P C -0.175 177.091 177.300 -0.056 0.000 1.221 670 P CA 0.097 63.182 63.100 -0.024 0.000 0.788 670 P CB 0.759 32.449 31.700 -0.017 0.000 0.904 671 E N 0.572 120.738 120.200 -0.057 0.000 3.136 671 E HA 0.386 4.736 4.350 -0.000 0.000 0.271 671 E C 0.031 176.551 176.600 -0.134 0.000 1.454 671 E CA -0.385 55.958 56.400 -0.095 0.000 1.194 671 E CB -0.284 29.385 29.700 -0.051 0.000 1.175 671 E HN 0.538 nan 8.360 nan 0.000 0.726 672 A N 0.898 123.626 122.820 -0.153 0.000 2.555 672 A HA 0.153 4.473 4.320 -0.000 0.000 0.233 672 A C 0.434 177.975 177.584 -0.071 0.000 1.060 672 A CA 0.717 52.671 52.037 -0.138 0.000 0.759 672 A CB -0.135 18.812 19.000 -0.088 0.000 0.995 672 A HN 0.718 nan 8.150 nan 0.000 0.506 673 M N -0.706 118.861 119.600 -0.056 0.000 2.872 673 M HA -0.187 4.292 4.480 -0.000 0.000 0.170 673 M C 1.029 177.317 176.300 -0.020 0.000 0.663 673 M CA 1.650 56.934 55.300 -0.027 0.000 0.650 673 M CB -2.592 30.000 32.600 -0.014 0.000 2.358 673 M HN 1.290 nan 8.290 nan 0.000 0.271 674 G N 1.152 109.936 108.800 -0.028 0.000 2.664 674 G HA2 0.328 4.288 3.960 -0.000 0.000 0.242 674 G HA3 0.328 4.288 3.960 -0.000 0.000 0.242 674 G C 0.076 174.971 174.900 -0.008 0.000 1.225 674 G CA -0.268 44.823 45.100 -0.015 0.000 0.849 674 G HN 0.442 nan 8.290 nan 0.000 0.581 675 R N 0.153 120.657 120.500 0.007 0.000 2.393 675 R HA 0.319 4.659 4.340 -0.000 0.000 0.310 675 R C -0.600 175.718 176.300 0.030 0.000 0.968 675 R CA -0.837 55.274 56.100 0.019 0.000 0.867 675 R CB 1.719 32.034 30.300 0.026 0.000 1.124 675 R HN 0.300 nan 8.270 nan 0.000 0.450 676 L N 3.918 125.166 121.223 0.041 0.000 2.255 676 L HA 0.296 4.636 4.340 -0.000 0.000 0.289 676 L C -0.424 176.510 176.870 0.106 0.000 1.046 676 L CA -0.026 54.850 54.840 0.060 0.000 0.816 676 L CB 1.192 43.278 42.059 0.044 0.000 1.197 676 L HN 0.725 nan 8.230 nan 0.000 0.427 677 S N 5.010 120.776 115.700 0.110 0.000 2.489 677 S HA 0.584 5.054 4.470 -0.000 0.000 0.277 677 S C -0.670 174.072 174.600 0.236 0.000 1.230 677 S CA -0.564 57.717 58.200 0.136 0.000 1.053 677 S CB 1.179 64.435 63.200 0.092 0.000 0.955 677 S HN 0.521 nan 8.310 nan 0.000 0.488 678 F N 2.228 122.201 119.950 0.039 0.000 3.102 678 F HA 0.418 4.945 4.527 -0.000 0.000 0.359 678 F C -0.845 174.983 175.800 0.048 0.000 1.243 678 F CA -0.626 57.399 58.000 0.041 0.000 1.215 678 F CB 0.893 39.918 39.000 0.042 0.000 1.549 678 F HN 0.691 nan 8.300 nan 0.000 0.657 679 R N 4.042 124.279 120.500 -0.440 0.000 2.608 679 R HA 0.897 5.237 4.340 -0.000 0.000 0.255 679 R C -1.614 174.262 176.300 -0.706 0.000 1.086 679 R CA -1.371 54.442 56.100 -0.478 0.000 1.125 679 R CB 2.008 32.185 30.300 -0.206 0.000 1.193 679 R HN 0.779 nan 8.270 nan 0.000 0.553 680 L N 0.525 121.490 121.223 -0.429 0.000 2.795 680 L HA 0.259 4.599 4.340 -0.000 0.000 0.260 680 L C -1.592 175.178 176.870 -0.166 0.000 0.935 680 L CA -0.405 54.251 54.840 -0.306 0.000 0.985 680 L CB 1.395 43.236 42.059 -0.362 0.000 1.433 680 L HN 0.468 nan 8.230 nan 0.000 0.447 681 K N 5.537 125.874 120.400 -0.106 0.000 2.357 681 K HA 0.436 4.756 4.320 -0.000 0.000 0.251 681 K C -1.248 175.325 176.600 -0.044 0.000 1.069 681 K CA -0.341 55.896 56.287 -0.083 0.000 0.994 681 K CB 1.056 33.511 32.500 -0.074 0.000 1.411 681 K HN 0.672 nan 8.250 nan 0.000 0.450 682 E N 2.568 122.748 120.200 -0.034 0.000 2.478 682 E HA 0.312 4.662 4.350 -0.000 0.000 0.293 682 E C -1.229 175.374 176.600 0.005 0.000 1.011 682 E CA -1.019 55.378 56.400 -0.005 0.000 0.834 682 E CB 0.839 30.550 29.700 0.017 0.000 1.226 682 E HN 0.314 nan 8.360 nan 0.000 0.419 683 L N -0.423 120.805 121.223 0.009 0.000 2.505 683 L HA 0.684 5.024 4.340 -0.000 0.000 0.266 683 L C -0.815 176.068 176.870 0.022 0.000 0.954 683 L CA -1.245 53.606 54.840 0.019 0.000 0.852 683 L CB 2.052 44.116 42.059 0.009 0.000 1.282 683 L HN 0.580 nan 8.230 nan 0.000 0.403 684 R N 1.932 122.451 120.500 0.030 0.000 2.346 684 R HA 0.495 4.835 4.340 -0.000 0.000 0.309 684 R C -2.676 173.636 176.300 0.019 0.000 1.119 684 R CA -1.489 54.626 56.100 0.025 0.000 1.112 684 R CB 0.806 31.123 30.300 0.029 0.000 1.132 684 R HN 0.468 nan 8.270 nan 0.000 0.538 685 P HA 0.150 nan 4.420 nan 0.000 0.274 685 P C -0.799 176.503 177.300 0.004 0.000 1.260 685 P CA -0.316 62.791 63.100 0.013 0.000 0.793 685 P CB 0.963 32.669 31.700 0.010 0.000 1.048 686 K N -0.667 119.735 120.400 0.003 0.000 2.610 686 K HA 0.149 4.469 4.320 -0.000 0.000 0.278 686 K C -0.582 176.020 176.600 0.003 0.000 0.964 686 K CA -0.669 55.614 56.287 -0.006 0.000 0.859 686 K CB 1.687 34.173 32.500 -0.024 0.000 1.434 686 K HN 0.608 nan 8.250 nan 0.000 0.410 687 E N 2.690 122.891 120.200 0.001 0.000 2.371 687 E HA 0.290 4.640 4.350 -0.000 0.000 0.257 687 E C -0.653 175.959 176.600 0.019 0.000 1.134 687 E CA -0.716 55.690 56.400 0.009 0.000 0.919 687 E CB 0.820 30.524 29.700 0.007 0.000 1.025 687 E HN 0.182 nan 8.360 nan 0.000 0.438 688 R N 1.565 122.082 120.500 0.028 0.000 2.337 688 R HA 0.148 4.488 4.340 -0.000 0.000 0.319 688 R C -0.627 175.703 176.300 0.050 0.000 0.954 688 R CA -0.718 55.410 56.100 0.045 0.000 0.840 688 R CB 1.190 31.520 30.300 0.049 0.000 1.164 688 R HN 0.621 nan 8.270 nan 0.000 0.472 689 K N 0.900 121.338 120.400 0.063 0.000 2.737 689 K HA 0.182 4.502 4.320 -0.000 0.000 0.251 689 K C 0.646 177.305 176.600 0.099 0.000 1.280 689 K CA -0.196 56.134 56.287 0.071 0.000 1.219 689 K CB -0.048 32.493 32.500 0.068 0.000 1.587 689 K HN 0.545 nan 8.250 nan 0.000 0.279 690 G N 1.115 109.963 108.800 0.081 0.000 2.635 690 G HA2 0.137 4.097 3.960 -0.000 0.000 0.289 690 G HA3 0.137 4.097 3.960 -0.000 0.000 0.289 690 G C 0.577 175.545 174.900 0.113 0.000 0.705 690 G CA 0.026 45.175 45.100 0.081 0.000 2.034 690 G HN 0.611 nan 8.290 nan 0.000 0.519 691 A N 2.645 125.565 122.820 0.166 0.000 2.011 691 A HA 0.682 5.002 4.320 -0.000 0.000 0.204 691 A C 0.264 177.897 177.584 0.082 0.000 1.520 691 A CA 0.206 52.335 52.037 0.154 0.000 0.819 691 A CB 0.465 19.614 19.000 0.248 0.000 1.087 691 A HN 0.398 nan 8.150 nan 0.000 0.526 692 F N -1.521 118.511 119.950 0.138 0.000 2.470 692 F HA 0.580 5.107 4.527 -0.000 0.000 0.329 692 F C -0.574 175.370 175.800 0.240 0.000 1.072 692 F CA -0.823 57.277 58.000 0.167 0.000 0.989 692 F CB 1.460 40.531 39.000 0.117 0.000 1.193 692 F HN 0.234 nan 8.300 nan 0.000 0.481 693 Y N 3.479 123.976 120.300 0.329 0.000 2.328 693 Y HA 0.492 5.042 4.550 -0.000 0.000 0.333 693 Y C -0.917 175.071 175.900 0.146 0.000 0.958 693 Y CA -1.398 56.845 58.100 0.238 0.000 1.167 693 Y CB 0.824 39.481 38.460 0.328 0.000 1.151 693 Y HN 0.416 nan 8.280 nan 0.000 0.470 694 L N 7.585 128.613 121.223 -0.325 0.000 2.536 694 L HA 0.227 4.567 4.340 -0.000 0.000 0.282 694 L C 0.739 177.130 176.870 -0.798 0.000 1.147 694 L CA 0.119 54.695 54.840 -0.439 0.000 0.936 694 L CB -0.091 41.749 42.059 -0.366 0.000 1.279 694 L HN 0.534 nan 8.230 nan 0.000 0.461 695 R N 7.065 127.166 120.500 -0.666 0.000 2.351 695 R HA 0.188 4.528 4.340 -0.000 0.000 0.318 695 R C -2.229 173.824 176.300 -0.410 0.000 1.055 695 R CA -1.415 54.301 56.100 -0.641 0.000 0.968 695 R CB 0.671 30.590 30.300 -0.636 0.000 0.974 695 R HN 0.241 nan 8.270 nan 0.000 0.439 696 P HA -0.031 nan 4.420 nan 0.000 0.262 696 P C -0.721 176.506 177.300 -0.121 0.000 1.182 696 P CA 0.325 63.316 63.100 -0.181 0.000 0.761 696 P CB 0.820 32.460 31.700 -0.100 0.000 0.795 697 T N -0.279 114.201 114.554 -0.123 0.000 2.907 697 T HA 0.394 4.744 4.350 -0.000 0.000 0.292 697 T C 1.104 175.763 174.700 -0.068 0.000 1.043 697 T CA -0.934 61.123 62.100 -0.071 0.000 1.003 697 T CB 1.682 70.516 68.868 -0.057 0.000 1.084 697 T HN 0.312 nan 8.240 nan 0.000 0.483 698 M N 0.405 119.965 119.600 -0.066 0.000 2.064 698 M HA 0.174 4.654 4.480 -0.000 0.000 0.260 698 M C -0.165 176.011 176.300 -0.208 0.000 1.073 698 M CA 0.982 56.168 55.300 -0.189 0.000 1.124 698 M CB -0.044 32.358 32.600 -0.330 0.000 1.326 698 M HN 0.685 nan 8.290 nan 0.000 0.410 699 W N 2.651 123.880 121.300 -0.118 0.000 2.170 699 W HA 0.093 4.753 4.660 -0.000 0.000 0.342 699 W C 0.199 176.614 176.519 -0.173 0.000 1.294 699 W CA -0.390 56.873 57.345 -0.136 0.000 1.246 699 W CB 0.157 29.548 29.460 -0.115 0.000 1.156 699 W HN -0.000 nan 8.180 nan 0.000 0.572 700 K N 1.426 121.842 120.400 0.027 0.000 2.095 700 K HA 0.463 4.783 4.320 -0.000 0.000 0.252 700 K C 0.846 177.342 176.600 -0.174 0.000 0.977 700 K CA -0.226 55.987 56.287 -0.122 0.000 0.900 700 K CB 1.058 33.434 32.500 -0.206 0.000 1.060 700 K HN 0.400 nan 8.250 nan 0.000 0.449 701 A N 1.396 124.148 122.820 -0.113 0.000 1.933 701 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 701 A C 1.245 178.729 177.584 -0.166 0.000 1.175 701 A CA 1.541 53.514 52.037 -0.108 0.000 0.628 701 A CB -0.882 18.082 19.000 -0.061 0.000 0.814 701 A HN 0.819 nan 8.150 nan 0.000 0.444 702 H N -0.807 118.088 119.070 -0.291 0.000 2.572 702 H HA 0.218 4.774 4.556 -0.000 0.000 0.278 702 H C 0.812 175.811 175.328 -0.549 0.000 1.050 702 H CA 0.840 56.639 56.048 -0.416 0.000 1.168 702 H CB -0.357 29.061 29.762 -0.573 0.000 1.316 702 H HN 0.636 nan 8.280 nan 0.000 0.610 703 Q N 0.302 119.727 119.800 -0.625 0.000 2.281 703 Q HA 0.305 4.645 4.340 -0.000 0.000 0.215 703 Q C 0.840 176.764 176.000 -0.126 0.000 0.867 703 Q CA 0.112 55.647 55.803 -0.447 0.000 0.940 703 Q CB 0.844 29.430 28.738 -0.253 0.000 1.111 703 Q HN 0.473 nan 8.270 nan 0.000 0.513 704 A N 1.590 124.326 122.820 -0.140 0.000 3.076 704 A HA 0.289 4.609 4.320 -0.000 0.000 0.269 704 A C -0.197 177.372 177.584 -0.025 0.000 1.916 704 A CA 0.236 52.212 52.037 -0.101 0.000 1.492 704 A CB -0.716 18.216 19.000 -0.113 0.000 1.000 704 A HN 0.053 nan 8.150 nan 0.000 0.615 705 V N -0.294 119.640 119.914 0.032 0.000 2.925 705 V HA 0.806 4.926 4.120 -0.000 0.000 0.311 705 V C 1.178 177.310 176.094 0.063 0.000 1.104 705 V CA -0.164 62.180 62.300 0.074 0.000 0.954 705 V CB 0.852 32.775 31.823 0.168 0.000 1.022 705 V HN 1.436 nan 8.190 nan 0.000 0.427 706 G N 3.019 111.843 108.800 0.040 0.000 2.646 706 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.324 706 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.324 706 G C 0.836 175.725 174.900 -0.018 0.000 1.195 706 G CA 0.824 45.939 45.100 0.024 0.000 0.976 706 G HN 0.672 nan 8.290 nan 0.000 0.546 707 K N 1.202 121.605 120.400 0.005 0.000 2.262 707 K HA 0.361 4.681 4.320 -0.000 0.000 0.200 707 K C 2.720 179.264 176.600 -0.093 0.000 1.049 707 K CA 1.232 57.457 56.287 -0.103 0.000 0.979 707 K CB -0.137 32.309 32.500 -0.089 0.000 0.773 707 K HN 0.662 nan 8.250 nan 0.000 0.474 708 A N 1.432 124.328 122.820 0.127 0.000 2.206 708 A HA -0.101 4.218 4.320 -0.000 0.000 0.211 708 A C 2.069 179.556 177.584 -0.163 0.000 1.158 708 A CA 0.528 52.607 52.037 0.069 0.000 0.761 708 A CB -0.281 18.763 19.000 0.074 0.000 0.801 708 A HN 0.321 nan 8.150 nan 0.000 0.473 709 Q N -0.398 119.335 119.800 -0.113 0.000 2.197 709 Q HA -0.255 4.085 4.340 -0.000 0.000 0.211 709 Q C 1.689 177.587 176.000 -0.170 0.000 0.993 709 Q CA 2.005 57.735 55.803 -0.121 0.000 0.883 709 Q CB -0.009 28.676 28.738 -0.089 0.000 0.916 709 Q HN 0.642 nan 8.270 nan 0.000 0.418 710 E N -0.867 119.210 120.200 -0.205 0.000 2.127 710 E HA 0.018 4.368 4.350 -0.000 0.000 0.191 710 E C 1.639 178.076 176.600 -0.272 0.000 0.964 710 E CA 0.794 57.072 56.400 -0.204 0.000 0.832 710 E CB -0.051 29.538 29.700 -0.184 0.000 0.790 710 E HN 0.381 nan 8.360 nan 0.000 0.465 711 A N 0.685 123.275 122.820 -0.384 0.000 2.248 711 A HA 0.051 4.371 4.320 -0.000 0.000 0.210 711 A C 1.767 178.813 177.584 -0.897 0.000 1.174 711 A CA 1.387 53.068 52.037 -0.593 0.000 0.750 711 A CB -0.182 18.421 19.000 -0.663 0.000 0.780 711 A HN 0.154 nan 8.150 nan 0.000 0.478 712 A N -0.965 121.491 122.820 -0.606 0.000 2.508 712 A HA 0.396 4.716 4.320 -0.000 0.000 0.257 712 A C 0.818 178.269 177.584 -0.222 0.000 1.226 712 A CA -0.320 51.460 52.037 -0.429 0.000 0.947 712 A CB -0.085 18.702 19.000 -0.355 0.000 1.079 712 A HN 0.401 nan 8.150 nan 0.000 0.531 713 R N 0.875 121.259 120.500 -0.192 0.000 2.438 713 R HA 0.535 4.875 4.340 -0.000 0.000 0.287 713 R C 0.446 176.694 176.300 -0.088 0.000 1.077 713 R CA 0.319 56.347 56.100 -0.120 0.000 1.034 713 R CB 0.539 30.779 30.300 -0.099 0.000 0.993 713 R HN 0.298 nan 8.270 nan 0.000 0.459 714 A N 3.585 126.360 122.820 -0.074 0.000 2.466 714 A HA 0.159 4.479 4.320 -0.000 0.000 0.238 714 A C -0.539 177.022 177.584 -0.038 0.000 1.074 714 A CA -0.131 51.865 52.037 -0.068 0.000 0.774 714 A CB 0.205 19.165 19.000 -0.066 0.000 1.015 714 A HN 0.847 nan 8.150 nan 0.000 0.498 715 E N -0.044 120.124 120.200 -0.052 0.000 2.339 715 E HA 0.779 5.129 4.350 -0.000 0.000 0.262 715 E C -1.090 175.497 176.600 -0.023 0.000 0.934 715 E CA -0.841 55.565 56.400 0.009 0.000 0.802 715 E CB 1.550 31.308 29.700 0.096 0.000 1.275 715 E HN 0.428 nan 8.360 nan 0.000 0.427 716 L N 1.662 122.956 121.223 0.117 0.000 2.555 716 L HA 0.422 4.762 4.340 -0.000 0.000 0.264 716 L C -1.703 175.385 176.870 0.363 0.000 0.972 716 L CA -0.647 54.285 54.840 0.152 0.000 0.876 716 L CB 0.637 42.795 42.059 0.166 0.000 1.216 716 L HN 0.590 nan 8.230 nan 0.000 0.415 717 W N 3.395 124.776 121.300 0.135 0.000 2.509 717 W HA 0.843 5.502 4.660 -0.000 0.000 0.351 717 W C 0.103 176.635 176.519 0.021 0.000 1.107 717 W CA -1.145 56.263 57.345 0.106 0.000 1.264 717 W CB 1.569 31.128 29.460 0.164 0.000 1.312 717 W HN 0.569 nan 8.180 nan 0.000 0.608 718 A N 0.541 123.493 122.820 0.220 0.000 2.583 718 A HA 0.376 4.696 4.320 -0.000 0.000 0.292 718 A C -1.921 175.664 177.584 0.001 0.000 1.045 718 A CA -0.914 51.146 52.037 0.038 0.000 0.672 718 A CB 0.736 19.721 19.000 -0.025 0.000 1.283 718 A HN 0.672 nan 8.150 nan 0.000 0.419 719 H N 1.952 120.956 119.070 -0.110 0.000 2.848 719 H HA 0.361 4.917 4.556 -0.000 0.000 0.317 719 H C -1.792 173.426 175.328 -0.183 0.000 1.046 719 H CA -0.883 55.096 56.048 -0.114 0.000 1.470 719 H CB 1.056 30.759 29.762 -0.099 0.000 1.483 719 H HN 0.286 nan 8.280 nan 0.000 0.548 720 P HA -0.253 nan 4.420 nan 0.000 0.218 720 P C 0.818 177.895 177.300 -0.370 0.000 1.150 720 P CA 1.757 64.512 63.100 -0.575 0.000 0.841 720 P CB 0.314 31.761 31.700 -0.421 0.000 0.784 721 E N -0.940 119.112 120.200 -0.246 0.000 2.001 721 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 721 E C 2.132 178.684 176.600 -0.079 0.000 1.002 721 E CA 2.065 58.420 56.400 -0.075 0.000 0.819 721 E CB -0.987 28.754 29.700 0.069 0.000 0.769 721 E HN 0.346 nan 8.360 nan 0.000 0.454 722 T N -0.576 113.952 114.554 -0.044 0.000 2.929 722 T HA -0.037 4.313 4.350 -0.000 0.000 0.271 722 T C 1.968 176.603 174.700 -0.108 0.000 1.085 722 T CA 1.037 63.092 62.100 -0.075 0.000 1.125 722 T CB -0.152 68.664 68.868 -0.087 0.000 0.874 722 T HN 0.186 nan 8.240 nan 0.000 0.494 723 A N 2.017 124.736 122.820 -0.169 0.000 1.873 723 A HA 0.037 4.357 4.320 -0.000 0.000 0.215 723 A C 2.476 179.966 177.584 -0.157 0.000 1.186 723 A CA 1.454 53.365 52.037 -0.210 0.000 0.616 723 A CB -0.646 18.073 19.000 -0.468 0.000 0.823 723 A HN 0.518 nan 8.150 nan 0.000 0.442 724 R N -0.627 119.766 120.500 -0.178 0.000 2.297 724 R HA 0.229 4.569 4.340 -0.000 0.000 0.197 724 R C 1.733 178.005 176.300 -0.047 0.000 0.943 724 R CA 0.859 56.913 56.100 -0.077 0.000 1.038 724 R CB -0.152 30.110 30.300 -0.063 0.000 0.957 724 R HN 0.419 nan 8.270 nan 0.000 0.484 725 A N 0.269 123.053 122.820 -0.059 0.000 2.123 725 A HA -0.038 4.281 4.320 -0.000 0.000 0.214 725 A C 1.425 178.991 177.584 -0.031 0.000 1.152 725 A CA 0.642 52.654 52.037 -0.040 0.000 0.728 725 A CB 0.068 19.041 19.000 -0.045 0.000 0.814 725 A HN 0.390 nan 8.150 nan 0.000 0.464 726 E N -0.549 119.631 120.200 -0.033 0.000 2.496 726 E HA 0.470 4.820 4.350 -0.000 0.000 0.200 726 E C 0.148 176.750 176.600 0.004 0.000 1.016 726 E CA 0.329 56.720 56.400 -0.015 0.000 0.962 726 E CB -0.139 29.547 29.700 -0.024 0.000 1.071 726 E HN 0.676 nan 8.360 nan 0.000 0.457 727 A N 0.782 123.604 122.820 0.003 0.000 2.429 727 A HA -0.173 4.147 4.320 -0.000 0.000 0.290 727 A C -0.636 176.969 177.584 0.036 0.000 1.439 727 A CA 0.731 52.779 52.037 0.018 0.000 0.731 727 A CB -2.041 16.970 19.000 0.018 0.000 1.138 727 A HN 0.320 nan 8.150 nan 0.000 0.384 728 L N 1.228 122.481 121.223 0.050 0.000 2.485 728 L HA 0.427 4.767 4.340 -0.000 0.000 0.260 728 L C -2.290 174.679 176.870 0.165 0.000 0.998 728 L CA -2.010 52.884 54.840 0.089 0.000 0.883 728 L CB 1.904 44.016 42.059 0.089 0.000 1.196 728 L HN 0.205 nan 8.230 nan 0.000 0.443 729 P HA -0.059 nan 4.420 nan 0.000 0.269 729 P C 0.584 177.917 177.300 0.055 0.000 1.211 729 P CA -0.018 63.138 63.100 0.094 0.000 0.781 729 P CB 0.834 32.552 31.700 0.030 0.000 0.877 730 E N 0.438 120.532 120.200 -0.177 0.000 2.409 730 E HA -0.045 4.305 4.350 -0.000 0.000 0.198 730 E C 0.679 177.140 176.600 -0.230 0.000 1.024 730 E CA 0.628 56.705 56.400 -0.538 0.000 0.861 730 E CB -0.373 28.884 29.700 -0.739 0.000 0.788 730 E HN 0.641 nan 8.360 nan 0.000 0.521 731 G N 0.108 108.843 108.800 -0.108 0.000 4.917 731 G HA2 0.512 4.472 3.960 -0.000 0.000 0.244 731 G HA3 0.512 4.472 3.960 -0.000 0.000 0.244 731 G C -0.691 174.194 174.900 -0.025 0.000 1.072 731 G CA 0.058 45.121 45.100 -0.062 0.000 0.850 731 G HN 0.223 nan 8.290 nan 0.000 0.559 732 A N 0.156 122.976 122.820 0.001 0.000 2.312 732 A HA 0.765 5.085 4.320 -0.000 0.000 0.328 732 A C -0.060 177.536 177.584 0.020 0.000 1.158 732 A CA -0.533 51.511 52.037 0.013 0.000 0.821 732 A CB 1.082 20.099 19.000 0.028 0.000 1.170 732 A HN 0.192 nan 8.150 nan 0.000 0.490 733 Q N 1.337 121.144 119.800 0.011 0.000 2.337 733 Q HA 0.410 4.750 4.340 -0.000 0.000 0.255 733 Q C -0.781 175.230 176.000 0.018 0.000 0.997 733 Q CA 0.081 55.890 55.803 0.010 0.000 0.925 733 Q CB 1.215 29.951 28.738 -0.002 0.000 1.212 733 Q HN 0.472 nan 8.270 nan 0.000 0.436 734 V N 1.315 121.246 119.914 0.028 0.000 2.815 734 V HA 0.721 4.840 4.120 -0.000 0.000 0.314 734 V C -0.315 175.794 176.094 0.025 0.000 1.064 734 V CA -1.010 61.311 62.300 0.035 0.000 0.952 734 V CB 2.016 33.875 31.823 0.059 0.000 1.020 734 V HN 0.768 nan 8.190 nan 0.000 0.439 735 A N 3.505 126.339 122.820 0.022 0.000 2.276 735 A HA 0.825 5.145 4.320 -0.000 0.000 0.316 735 A C -0.765 176.826 177.584 0.010 0.000 1.229 735 A CA -0.397 51.645 52.037 0.009 0.000 0.851 735 A CB 0.937 19.940 19.000 0.004 0.000 1.165 735 A HN 0.691 nan 8.150 nan 0.000 0.513 736 V N 1.797 121.703 119.914 -0.013 0.000 2.823 736 V HA 0.561 4.681 4.120 -0.000 0.000 0.312 736 V C -0.257 175.777 176.094 -0.099 0.000 1.072 736 V CA -0.651 61.620 62.300 -0.048 0.000 0.937 736 V CB 1.901 33.692 31.823 -0.053 0.000 1.013 736 V HN 0.995 nan 8.190 nan 0.000 0.430 737 E N 1.593 121.701 120.200 -0.152 0.000 2.191 737 E HA 0.674 5.024 4.350 -0.000 0.000 0.263 737 E C -1.015 175.452 176.600 -0.222 0.000 0.881 737 E CA -0.321 55.993 56.400 -0.144 0.000 0.757 737 E CB 1.779 31.426 29.700 -0.087 0.000 1.147 737 E HN 0.842 nan 8.360 nan 0.000 0.414 738 T N 3.275 117.735 114.554 -0.157 0.000 2.926 738 T HA 0.310 4.660 4.350 -0.000 0.000 0.289 738 T C -2.138 172.523 174.700 -0.065 0.000 1.054 738 T CA -1.733 60.297 62.100 -0.116 0.000 1.015 738 T CB 1.435 70.292 68.868 -0.018 0.000 1.167 738 T HN 0.275 nan 8.240 nan 0.000 0.526 739 P HA 0.040 nan 4.420 nan 0.000 0.226 739 P C 0.313 177.373 177.300 -0.401 0.000 1.146 739 P CA 0.937 63.886 63.100 -0.252 0.000 0.773 739 P CB -0.136 31.363 31.700 -0.334 0.000 0.772 740 F N -1.632 118.272 119.950 -0.077 0.000 2.695 740 F HA 0.424 4.951 4.527 -0.000 0.000 0.303 740 F C 1.479 177.244 175.800 -0.059 0.000 1.091 740 F CA 0.519 58.489 58.000 -0.050 0.000 1.300 740 F CB 0.341 39.328 39.000 -0.022 0.000 1.071 740 F HN -0.120 nan 8.300 nan 0.000 0.578 741 G N 0.607 109.435 108.800 0.047 0.000 2.340 741 G HA2 0.034 3.994 3.960 -0.000 0.000 0.527 741 G HA3 0.034 3.994 3.960 -0.000 0.000 0.527 741 G C -1.562 173.329 174.900 -0.016 0.000 1.381 741 G CA -1.290 43.813 45.100 0.004 0.000 1.001 741 G HN 0.069 nan 8.290 nan 0.000 0.626 742 R N -0.019 120.467 120.500 -0.023 0.000 2.221 742 R HA 0.635 4.975 4.340 -0.000 0.000 0.327 742 R C -0.727 175.556 176.300 -0.027 0.000 1.033 742 R CA -0.328 55.752 56.100 -0.033 0.000 0.887 742 R CB 0.898 31.182 30.300 -0.028 0.000 1.057 742 R HN 0.624 nan 8.270 nan 0.000 0.455 743 V N 4.387 124.279 119.914 -0.037 0.000 2.841 743 V HA 0.253 4.373 4.120 -0.000 0.000 0.310 743 V C -0.325 175.751 176.094 -0.030 0.000 1.090 743 V CA -1.046 61.233 62.300 -0.035 0.000 0.930 743 V CB 1.852 33.650 31.823 -0.042 0.000 1.014 743 V HN 0.828 nan 8.190 nan 0.000 0.425 744 E N 3.559 123.743 120.200 -0.027 0.000 2.249 744 E HA 0.759 5.109 4.350 -0.000 0.000 0.280 744 E C -0.689 175.900 176.600 -0.017 0.000 1.016 744 E CA -0.481 55.909 56.400 -0.017 0.000 0.830 744 E CB 2.185 31.875 29.700 -0.016 0.000 1.081 744 E HN 0.877 nan 8.360 nan 0.000 0.395 745 A N 3.882 126.702 122.820 -0.000 0.000 2.515 745 A HA 0.514 4.834 4.320 -0.000 0.000 0.298 745 A C -0.150 177.450 177.584 0.028 0.000 1.059 745 A CA -1.008 51.032 52.037 0.005 0.000 0.698 745 A CB 1.108 20.113 19.000 0.008 0.000 1.289 745 A HN 0.811 nan 8.150 nan 0.000 0.404 746 R N 0.418 120.937 120.500 0.031 0.000 2.784 746 R HA 0.471 4.811 4.340 -0.000 0.000 0.266 746 R C -0.718 175.641 176.300 0.099 0.000 1.044 746 R CA -0.204 55.926 56.100 0.050 0.000 1.151 746 R CB 0.542 30.869 30.300 0.045 0.000 1.037 746 R HN 0.654 nan 8.270 nan 0.000 0.478 747 V N 2.743 122.719 119.914 0.104 0.000 2.487 747 V HA 0.505 4.625 4.120 -0.000 0.000 0.298 747 V C -1.007 175.186 176.094 0.164 0.000 1.028 747 V CA -0.661 61.734 62.300 0.159 0.000 0.860 747 V CB 1.850 33.757 31.823 0.140 0.000 0.991 747 V HN 0.648 nan 8.190 nan 0.000 0.427 748 V N 6.240 126.309 119.914 0.257 0.000 2.656 748 V HA 0.535 4.655 4.120 -0.000 0.000 0.307 748 V C -0.384 175.844 176.094 0.223 0.000 1.051 748 V CA -0.769 61.623 62.300 0.153 0.000 0.893 748 V CB 1.904 33.754 31.823 0.045 0.000 0.999 748 V HN 0.942 nan 8.190 nan 0.000 0.426 749 H N 4.117 123.149 119.070 -0.063 0.000 2.548 749 H HA 0.625 5.180 4.556 -0.000 0.000 0.331 749 H C -0.370 174.869 175.328 -0.149 0.000 1.093 749 H CA -0.672 55.324 56.048 -0.087 0.000 1.367 749 H CB 1.124 30.827 29.762 -0.098 0.000 1.455 749 H HN 0.422 nan 8.280 nan 0.000 0.519 750 R N 2.415 122.904 120.500 -0.017 0.000 2.531 750 R HA 0.051 4.391 4.340 -0.000 0.000 0.293 750 R C -0.026 176.299 176.300 0.041 0.000 1.124 750 R CA -0.437 55.623 56.100 -0.068 0.000 0.945 750 R CB 1.586 31.774 30.300 -0.187 0.000 1.195 750 R HN 0.765 nan 8.270 nan 0.000 0.433 751 E N 1.218 121.445 120.200 0.045 0.000 2.472 751 E HA -0.150 4.200 4.350 -0.000 0.000 0.200 751 E C 0.586 177.325 176.600 0.231 0.000 1.046 751 E CA 0.944 57.458 56.400 0.190 0.000 0.871 751 E CB 0.294 30.062 29.700 0.112 0.000 0.806 751 E HN 0.527 nan 8.360 nan 0.000 0.533 752 D N -0.214 120.282 120.400 0.161 0.000 2.360 752 D HA -0.033 4.607 4.640 -0.000 0.000 0.210 752 D C 0.483 176.917 176.300 0.225 0.000 1.047 752 D CA 0.041 54.144 54.000 0.172 0.000 0.854 752 D CB 0.216 41.115 40.800 0.165 0.000 0.936 752 D HN -0.111 nan 8.370 nan 0.000 0.514 753 V N 3.877 123.928 119.914 0.228 0.000 2.389 753 V HA 0.177 4.297 4.120 -0.000 0.000 0.264 753 V C -1.966 174.162 176.094 0.056 0.000 1.049 753 V CA -1.410 61.004 62.300 0.191 0.000 0.932 753 V CB 0.812 32.711 31.823 0.128 0.000 1.011 753 V HN 0.034 nan 8.190 nan 0.000 0.475 754 P HA -0.082 nan 4.420 nan 0.000 0.264 754 P C -0.269 176.957 177.300 -0.124 0.000 1.173 754 P CA -0.076 63.023 63.100 -0.003 0.000 0.761 754 P CB 0.542 32.333 31.700 0.152 0.000 0.794 755 K N 2.454 122.718 120.400 -0.226 0.000 2.453 755 K HA 0.234 4.554 4.320 -0.000 0.000 0.280 755 K C 1.399 177.768 176.600 -0.386 0.000 1.045 755 K CA 1.376 57.503 56.287 -0.266 0.000 1.059 755 K CB -0.957 31.388 32.500 -0.259 0.000 0.901 755 K HN 0.768 nan 8.250 nan 0.000 0.475 756 G N 2.835 111.449 108.800 -0.310 0.000 2.176 756 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.253 756 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.253 756 G C -0.335 174.303 174.900 -0.437 0.000 0.979 756 G CA 0.452 45.338 45.100 -0.356 0.000 0.641 756 G HN 0.788 nan 8.290 nan 0.000 0.530 757 H N -1.031 117.918 119.070 -0.202 0.000 2.525 757 H HA 0.741 5.297 4.556 -0.000 0.000 0.340 757 H C -0.279 174.845 175.328 -0.339 0.000 1.168 757 H CA -0.871 55.019 56.048 -0.263 0.000 1.247 757 H CB 1.439 31.059 29.762 -0.236 0.000 1.568 757 H HN 0.131 nan 8.280 nan 0.000 0.536 758 L N 2.037 123.113 121.223 -0.244 0.000 2.349 758 L HA 0.243 4.583 4.340 -0.000 0.000 0.278 758 L C -1.047 175.875 176.870 0.087 0.000 0.996 758 L CA -0.275 54.442 54.840 -0.205 0.000 0.825 758 L CB 0.741 42.561 42.059 -0.399 0.000 1.243 758 L HN 0.615 nan 8.230 nan 0.000 0.412 759 Y N 3.962 124.336 120.300 0.124 0.000 2.383 759 Y HA 0.402 4.952 4.550 -0.000 0.000 0.344 759 Y C -0.080 175.750 175.900 -0.117 0.000 0.986 759 Y CA -0.883 57.238 58.100 0.034 0.000 1.175 759 Y CB 1.483 39.920 38.460 -0.038 0.000 1.152 759 Y HN 0.385 nan 8.280 nan 0.000 0.511 760 L N 3.054 124.333 121.223 0.094 0.000 2.309 760 L HA 0.328 4.667 4.340 -0.000 0.000 0.282 760 L C 0.271 177.008 176.870 -0.223 0.000 1.036 760 L CA -0.101 54.717 54.840 -0.037 0.000 0.806 760 L CB 1.753 43.838 42.059 0.043 0.000 1.220 760 L HN 0.438 nan 8.230 nan 0.000 0.429 761 S N 3.713 119.266 115.700 -0.244 0.000 2.611 761 S HA 0.247 4.717 4.470 -0.000 0.000 0.317 761 S C 0.552 175.022 174.600 -0.217 0.000 1.208 761 S CA -0.043 58.003 58.200 -0.257 0.000 1.217 761 S CB -0.368 62.725 63.200 -0.178 0.000 1.085 761 S HN 0.742 nan 8.310 nan 0.000 0.529 762 A N 6.497 129.158 122.820 -0.265 0.000 3.063 762 A HA 0.288 4.608 4.320 -0.000 0.000 0.263 762 A C 1.278 178.731 177.584 -0.220 0.000 1.736 762 A CA -0.309 51.569 52.037 -0.266 0.000 1.408 762 A CB -0.538 18.259 19.000 -0.337 0.000 1.108 762 A HN 0.944 nan 8.150 nan 0.000 0.621 763 L N 0.524 121.645 121.223 -0.170 0.000 2.447 763 L HA -0.105 4.234 4.340 -0.000 0.000 0.225 763 L C 1.977 178.759 176.870 -0.147 0.000 1.148 763 L CA 0.588 55.350 54.840 -0.129 0.000 0.808 763 L CB -0.566 41.434 42.059 -0.098 0.000 0.928 763 L HN 0.670 nan 8.230 nan 0.000 0.448 764 G N 0.338 109.024 108.800 -0.190 0.000 2.504 764 G HA2 0.208 4.168 3.960 -0.000 0.000 0.257 764 G HA3 0.208 4.168 3.960 -0.000 0.000 0.257 764 G C -1.940 172.776 174.900 -0.308 0.000 1.451 764 G CA -0.231 44.730 45.100 -0.232 0.000 1.059 764 G HN 0.028 nan 8.290 nan 0.000 0.550 765 P HA 0.299 nan 4.420 nan 0.000 0.278 765 P C 0.135 177.233 177.300 -0.337 0.000 1.502 765 P CA 0.176 63.029 63.100 -0.413 0.000 1.114 765 P CB 1.069 32.408 31.700 -0.602 0.000 1.541 766 A N -0.270 122.355 122.820 -0.324 0.000 2.462 766 A HA 0.609 4.929 4.320 -0.000 0.000 0.261 766 A C 1.064 178.459 177.584 -0.315 0.000 1.323 766 A CA -0.286 51.588 52.037 -0.273 0.000 0.913 766 A CB -0.510 18.103 19.000 -0.645 0.000 1.028 766 A HN 0.265 nan 8.150 nan 0.000 0.511 767 A N -1.363 121.300 122.820 -0.263 0.000 2.366 767 A HA 0.506 4.826 4.320 -0.000 0.000 0.249 767 A C 1.490 178.956 177.584 -0.196 0.000 1.084 767 A CA 0.439 52.313 52.037 -0.272 0.000 0.794 767 A CB -0.307 18.548 19.000 -0.243 0.000 1.034 767 A HN 1.903 nan 8.150 nan 0.000 0.491 768 G N -0.831 107.807 108.800 -0.271 0.000 2.136 768 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.242 768 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.242 768 G C -0.168 174.766 174.900 0.057 0.000 0.989 768 G CA 0.398 45.457 45.100 -0.069 0.000 0.682 768 G HN 0.750 nan 8.290 nan 0.000 0.522 769 L N -0.110 121.063 121.223 -0.085 0.000 2.334 769 L HA 0.666 5.006 4.340 -0.000 0.000 0.273 769 L C 0.690 177.654 176.870 0.155 0.000 1.013 769 L CA -1.172 53.699 54.840 0.051 0.000 0.816 769 L CB 1.573 43.624 42.059 -0.013 0.000 1.278 769 L HN 0.108 nan 8.230 nan 0.000 0.431 770 R N 2.170 122.804 120.500 0.224 0.000 2.294 770 R HA 0.705 5.045 4.340 -0.000 0.000 0.319 770 R C -1.181 175.237 176.300 0.198 0.000 0.984 770 R CA -0.650 55.600 56.100 0.250 0.000 0.861 770 R CB 1.679 32.092 30.300 0.189 0.000 1.104 770 R HN 0.316 nan 8.270 nan 0.000 0.451 771 V N 0.423 120.477 119.914 0.233 0.000 3.078 771 V HA 0.325 4.445 4.120 -0.000 0.000 0.311 771 V C -0.041 176.190 176.094 0.228 0.000 1.138 771 V CA -1.333 61.088 62.300 0.201 0.000 1.007 771 V CB 2.174 34.115 31.823 0.198 0.000 1.045 771 V HN 0.588 nan 8.190 nan 0.000 0.432 772 E N 1.038 121.327 120.200 0.149 0.000 2.397 772 E HA 0.710 5.060 4.350 -0.000 0.000 0.254 772 E C 0.446 177.097 176.600 0.085 0.000 1.231 772 E CA 0.873 57.366 56.400 0.156 0.000 0.954 772 E CB 1.262 31.011 29.700 0.081 0.000 1.024 772 E HN 1.247 nan 8.360 nan 0.000 0.481 773 G N -0.247 108.613 108.800 0.099 0.000 2.369 773 G HA2 0.318 4.278 3.960 -0.000 0.000 0.293 773 G HA3 0.318 4.278 3.960 -0.000 0.000 0.293 773 G C -1.311 173.640 174.900 0.085 0.000 1.301 773 G CA -0.386 44.649 45.100 -0.109 0.000 0.913 773 G HN 0.600 nan 8.290 nan 0.000 0.540 774 R N -1.784 118.681 120.500 -0.059 0.000 2.741 774 R HA 0.552 4.892 4.340 -0.000 0.000 0.276 774 R C -1.708 174.662 176.300 0.117 0.000 1.028 774 R CA -0.590 55.630 56.100 0.200 0.000 0.865 774 R CB 0.714 31.108 30.300 0.155 0.000 1.268 774 R HN 1.068 nan 8.270 nan 0.000 0.475 775 V N 3.354 123.381 119.914 0.188 0.000 2.356 775 V HA 0.228 4.348 4.120 -0.000 0.000 0.258 775 V C 0.743 176.878 176.094 0.068 0.000 1.065 775 V CA -0.629 61.743 62.300 0.120 0.000 0.935 775 V CB 0.068 31.973 31.823 0.136 0.000 1.061 775 V HN 0.477 nan 8.190 nan 0.000 0.484 776 L N 5.230 126.476 121.223 0.038 0.000 2.467 776 L HA 0.595 4.935 4.340 -0.000 0.000 0.270 776 L C 0.036 176.922 176.870 0.026 0.000 1.205 776 L CA -0.111 54.745 54.840 0.026 0.000 0.828 776 L CB -0.002 42.064 42.059 0.011 0.000 1.101 776 L HN 0.266 nan 8.230 nan 0.000 0.479 777 V N 0.000 119.927 119.914 0.022 0.000 2.409 777 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 777 V CA 0.000 62.312 62.300 0.020 0.000 1.235 777 V CB 0.000 31.836 31.823 0.022 0.000 1.184 777 V HN 0.000 nan 8.190 nan 0.000 0.556