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 3m9s_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 0.000 176.279 176.300 -0.035 0.000 1.140 1 M CA 0.000 55.264 55.300 -0.059 0.000 0.988 1 M CB 0.000 32.559 32.600 -0.069 0.000 1.302 2 V N 1.066 120.962 119.914 -0.030 0.000 2.667 2 V HA 0.566 4.686 4.120 -0.001 0.000 0.308 2 V C -0.514 175.582 176.094 0.002 0.000 1.048 2 V CA -0.617 61.676 62.300 -0.012 0.000 0.928 2 V CB 2.015 33.834 31.823 -0.006 0.000 1.004 2 V HN 0.720 nan 8.190 nan 0.000 0.444 3 R N 2.459 122.963 120.500 0.005 0.000 2.202 3 R HA 0.638 4.977 4.340 -0.001 0.000 0.334 3 R C -1.193 175.118 176.300 0.018 0.000 1.036 3 R CA -0.011 56.097 56.100 0.013 0.000 0.878 3 R CB 1.019 31.322 30.300 0.005 0.000 1.067 3 R HN 0.559 nan 8.270 nan 0.000 0.457 4 V N 4.383 124.317 119.914 0.033 0.000 2.769 4 V HA 0.422 4.542 4.120 -0.001 0.000 0.312 4 V C -0.636 175.477 176.094 0.032 0.000 1.061 4 V CA -0.884 61.437 62.300 0.034 0.000 0.931 4 V CB 2.034 33.890 31.823 0.054 0.000 1.010 4 V HN 0.670 nan 8.190 nan 0.000 0.433 5 K N 3.066 123.476 120.400 0.017 0.000 2.483 5 K HA 0.572 4.891 4.320 -0.001 0.000 0.256 5 K C -0.185 176.412 176.600 -0.005 0.000 0.961 5 K CA -0.435 55.858 56.287 0.009 0.000 0.873 5 K CB 1.691 34.189 32.500 -0.003 0.000 1.107 5 K HN 0.436 nan 8.250 nan 0.000 0.432 6 V N 3.542 123.442 119.914 -0.023 0.000 2.233 6 V HA -0.199 3.921 4.120 -0.001 0.000 0.174 6 V C 1.710 177.708 176.094 -0.160 0.000 0.888 6 V CA 0.949 63.186 62.300 -0.104 0.000 1.161 6 V CB -0.281 31.451 31.823 -0.151 0.000 0.717 6 V HN 0.831 nan 8.190 nan 0.000 0.460 7 N N 1.063 119.559 118.700 -0.341 0.000 2.272 7 N HA -0.038 4.701 4.740 -0.001 0.000 0.195 7 N C 1.056 176.505 175.510 -0.102 0.000 1.048 7 N CA 1.580 54.465 53.050 -0.275 0.000 0.912 7 N CB -0.328 37.859 38.487 -0.502 0.000 1.096 7 N HN 0.796 nan 8.380 nan 0.000 0.471 8 D N -0.725 119.643 120.400 -0.052 0.000 2.501 8 D HA 0.153 4.792 4.640 -0.001 0.000 0.224 8 D C 0.137 176.466 176.300 0.049 0.000 1.202 8 D CA -0.141 53.871 54.000 0.021 0.000 0.829 8 D CB 0.295 41.124 40.800 0.048 0.000 1.023 8 D HN -0.027 nan 8.370 nan 0.000 0.499 9 R N 0.357 120.890 120.500 0.054 0.000 2.561 9 R HA 0.622 4.962 4.340 -0.001 0.000 0.297 9 R C -1.224 175.107 176.300 0.053 0.000 0.969 9 R CA -0.731 55.417 56.100 0.082 0.000 0.879 9 R CB 1.364 31.769 30.300 0.176 0.000 1.178 9 R HN 0.028 nan 8.270 nan 0.000 0.445 10 I N 4.024 124.620 120.570 0.044 0.000 2.460 10 I HA 0.495 4.665 4.170 -0.001 0.000 0.298 10 I C -0.589 175.560 176.117 0.054 0.000 0.989 10 I CA -1.024 60.300 61.300 0.040 0.000 1.173 10 I CB 2.045 40.061 38.000 0.026 0.000 1.338 10 I HN 0.233 nan 8.210 nan 0.000 0.456 11 V N 3.301 123.260 119.914 0.074 0.000 2.971 11 V HA 0.408 4.528 4.120 -0.001 0.000 0.309 11 V C -0.463 175.699 176.094 0.113 0.000 1.130 11 V CA -0.996 61.374 62.300 0.116 0.000 0.964 11 V CB 2.016 33.965 31.823 0.210 0.000 1.029 11 V HN 0.558 nan 8.190 nan 0.000 0.427 12 E N 1.255 121.524 120.200 0.115 0.000 2.349 12 E HA 0.702 5.052 4.350 -0.001 0.000 0.265 12 E C -0.879 175.748 176.600 0.044 0.000 1.064 12 E CA -0.198 56.239 56.400 0.062 0.000 0.886 12 E CB 2.225 31.947 29.700 0.037 0.000 1.036 12 E HN 0.551 nan 8.360 nan 0.000 0.413 13 V N 3.569 123.460 119.914 -0.038 0.000 2.915 13 V HA 0.164 4.284 4.120 -0.001 0.000 0.273 13 V C -2.657 173.354 176.094 -0.138 0.000 1.538 13 V CA -1.460 60.765 62.300 -0.125 0.000 0.946 13 V CB 2.439 34.245 31.823 -0.028 0.000 1.183 13 V HN 0.489 nan 8.190 nan 0.000 0.446 14 P HA 0.207 nan 4.420 nan 0.000 0.268 14 P C -2.163 175.064 177.300 -0.122 0.000 1.208 14 P CA -0.656 62.284 63.100 -0.267 0.000 0.777 14 P CB 0.223 31.556 31.700 -0.612 0.000 0.875 15 P HA -0.214 nan 4.420 nan 0.000 0.215 15 P C 1.573 178.886 177.300 0.021 0.000 1.163 15 P CA 2.149 65.239 63.100 -0.017 0.000 0.894 15 P CB -0.799 30.895 31.700 -0.010 0.000 0.791 16 G N -0.747 108.080 108.800 0.044 0.000 2.708 16 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.210 16 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.210 16 G C 0.396 175.362 174.900 0.110 0.000 1.141 16 G CA 0.221 45.371 45.100 0.084 0.000 0.788 16 G HN 0.262 nan 8.290 nan 0.000 0.531 17 T N 0.809 115.435 114.554 0.121 0.000 2.928 17 T HA 0.270 4.620 4.350 -0.001 0.000 0.305 17 T C 0.777 175.549 174.700 0.120 0.000 1.035 17 T CA 0.046 62.254 62.100 0.180 0.000 1.145 17 T CB 1.288 70.299 68.868 0.238 0.000 0.963 17 T HN 0.191 nan 8.240 nan 0.000 0.545 18 S N 2.303 118.063 115.700 0.099 0.000 2.549 18 S HA 0.068 4.538 4.470 -0.001 0.000 0.279 18 S C 1.554 176.196 174.600 0.069 0.000 1.321 18 S CA -0.891 57.351 58.200 0.070 0.000 1.054 18 S CB 0.410 63.644 63.200 0.057 0.000 0.899 18 S HN 0.484 nan 8.310 nan 0.000 0.497 19 V N 6.422 126.372 119.914 0.061 0.000 2.546 19 V HA -0.233 3.887 4.120 -0.001 0.000 0.254 19 V C 2.261 178.384 176.094 0.047 0.000 1.076 19 V CA 2.493 64.824 62.300 0.052 0.000 1.087 19 V CB -0.930 30.915 31.823 0.036 0.000 0.674 19 V HN 1.001 nan 8.190 nan 0.000 0.470 20 M N -0.395 119.241 119.600 0.061 0.000 2.132 20 M HA -0.160 4.320 4.480 -0.001 0.000 0.263 20 M C 1.856 178.223 176.300 0.111 0.000 1.065 20 M CA 1.974 57.334 55.300 0.100 0.000 1.122 20 M CB -0.279 32.410 32.600 0.148 0.000 1.365 20 M HN 0.300 nan 8.290 nan 0.000 0.411 21 D N 0.337 120.754 120.400 0.029 0.000 2.149 21 D HA -0.060 4.580 4.640 -0.001 0.000 0.201 21 D C 1.966 178.317 176.300 0.086 0.000 0.972 21 D CA 1.497 55.452 54.000 -0.076 0.000 0.835 21 D CB -0.079 40.478 40.800 -0.404 0.000 0.966 21 D HN 0.529 nan 8.370 nan 0.000 0.476 22 A N 0.995 123.897 122.820 0.136 0.000 1.902 22 A HA -0.114 4.205 4.320 -0.001 0.000 0.217 22 A C 2.543 180.226 177.584 0.164 0.000 1.181 22 A CA 0.895 53.057 52.037 0.208 0.000 0.623 22 A CB -0.752 18.338 19.000 0.150 0.000 0.818 22 A HN 0.093 nan 8.150 nan 0.000 0.443 23 V N -1.185 118.764 119.914 0.058 0.000 2.233 23 V HA -0.263 3.856 4.120 -0.001 0.000 0.247 23 V C 2.303 178.363 176.094 -0.056 0.000 1.050 23 V CA 2.342 64.622 62.300 -0.033 0.000 1.010 23 V CB -0.875 30.859 31.823 -0.148 0.000 0.637 23 V HN 0.593 nan 8.190 nan 0.000 0.444 24 F N -0.308 119.524 119.950 -0.197 0.000 2.202 24 F HA -0.201 4.325 4.527 -0.001 0.000 0.301 24 F C 2.393 178.038 175.800 -0.259 0.000 1.082 24 F CA 2.064 59.823 58.000 -0.401 0.000 1.313 24 F CB -0.605 37.787 39.000 -1.012 0.000 1.024 24 F HN 0.300 nan 8.300 nan 0.000 0.495 25 H N -0.217 118.859 119.070 0.010 0.000 2.457 25 H HA 0.019 4.575 4.556 -0.001 0.000 0.294 25 H C 1.985 177.403 175.328 0.151 0.000 1.064 25 H CA 1.174 57.344 56.048 0.203 0.000 1.330 25 H CB -0.104 29.864 29.762 0.343 0.000 1.395 25 H HN 0.108 nan 8.280 nan 0.000 0.541 26 A N -0.731 122.140 122.820 0.084 0.000 2.238 26 A HA 0.317 4.637 4.320 -0.001 0.000 0.208 26 A C 1.725 179.328 177.584 0.032 0.000 1.177 26 A CA 0.747 52.822 52.037 0.064 0.000 0.804 26 A CB -0.666 18.456 19.000 0.204 0.000 0.823 26 A HN 0.719 nan 8.150 nan 0.000 0.482 27 G N -2.278 106.509 108.800 -0.022 0.000 2.165 27 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.226 27 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.226 27 G C -0.104 174.594 174.900 -0.337 0.000 1.035 27 G CA 0.354 45.365 45.100 -0.148 0.000 0.744 27 G HN 0.416 nan 8.290 nan 0.000 0.501 28 Y N 0.578 120.782 120.300 -0.161 0.000 2.853 28 Y HA 0.694 5.244 4.550 -0.001 0.000 0.332 28 Y C 0.675 176.295 175.900 -0.467 0.000 1.229 28 Y CA 0.078 58.041 58.100 -0.228 0.000 1.177 28 Y CB 1.090 39.431 38.460 -0.199 0.000 1.435 28 Y HN 0.349 nan 8.280 nan 0.000 0.659 29 D N -0.990 119.227 120.400 -0.305 0.000 2.653 29 D HA 0.493 5.132 4.640 -0.001 0.000 0.258 29 D C -1.780 174.323 176.300 -0.330 0.000 1.252 29 D CA -0.569 53.110 54.000 -0.536 0.000 0.777 29 D CB 1.731 42.499 40.800 -0.053 0.000 1.339 29 D HN 0.513 nan 8.370 nan 0.000 0.422 30 V N -0.461 119.290 119.914 -0.271 0.000 2.963 30 V HA 0.396 4.516 4.120 -0.001 0.000 0.272 30 V C -2.982 172.945 176.094 -0.278 0.000 1.559 30 V CA -1.215 60.889 62.300 -0.326 0.000 0.959 30 V CB 2.157 33.809 31.823 -0.286 0.000 1.202 30 V HN 0.497 nan 8.190 nan 0.000 0.447 31 P HA 0.276 nan 4.420 nan 0.000 0.266 31 P C -1.079 176.069 177.300 -0.254 0.000 1.193 31 P CA 0.133 62.917 63.100 -0.527 0.000 0.770 31 P CB 0.271 31.524 31.700 -0.745 0.000 0.836 32 L N 3.979 125.089 121.223 -0.188 0.000 2.811 32 L HA 0.189 4.529 4.340 -0.001 0.000 0.251 32 L C -1.118 175.859 176.870 0.179 0.000 0.971 32 L CA -0.130 54.740 54.840 0.050 0.000 0.990 32 L CB 0.533 42.731 42.059 0.232 0.000 1.320 32 L HN 0.256 nan 8.230 nan 0.000 0.473 33 F N 1.887 121.877 119.950 0.067 0.000 2.479 33 F HA 0.079 4.606 4.527 -0.001 0.000 0.280 33 F C 2.292 178.127 175.800 0.059 0.000 0.982 33 F CA 1.072 59.110 58.000 0.063 0.000 1.276 33 F CB -0.483 38.558 39.000 0.068 0.000 1.137 33 F HN 0.681 nan 8.300 nan 0.000 0.660 34 C N -0.685 118.776 119.300 0.268 0.000 2.514 34 C HA 0.258 4.718 4.460 -0.001 0.000 0.271 34 C C 1.140 176.208 174.990 0.130 0.000 1.399 34 C CA -0.497 58.628 59.018 0.179 0.000 1.765 34 C CB -1.555 26.282 27.740 0.162 0.000 1.893 34 C HN 0.146 nan 8.230 nan 0.000 0.531 35 S N 1.322 117.092 115.700 0.117 0.000 2.586 35 S HA 0.599 5.068 4.470 -0.001 0.000 0.274 35 S C -0.590 174.026 174.600 0.026 0.000 1.281 35 S CA 0.091 58.339 58.200 0.081 0.000 1.035 35 S CB 1.356 64.612 63.200 0.093 0.000 0.962 35 S HN 0.669 nan 8.310 nan 0.000 0.512 36 E N 1.036 121.239 120.200 0.005 0.000 2.356 36 E HA 0.294 4.643 4.350 -0.001 0.000 0.275 36 E C -1.330 175.213 176.600 -0.095 0.000 0.904 36 E CA -0.780 55.580 56.400 -0.067 0.000 0.757 36 E CB 0.900 30.604 29.700 0.007 0.000 1.232 36 E HN 0.429 nan 8.360 nan 0.000 0.442 37 K N 2.412 122.671 120.400 -0.236 0.000 2.550 37 K HA -0.022 4.298 4.320 -0.001 0.000 0.280 37 K C -0.370 176.186 176.600 -0.074 0.000 0.987 37 K CA 0.958 57.078 56.287 -0.279 0.000 1.048 37 K CB -0.178 32.094 32.500 -0.381 0.000 0.879 37 K HN 0.767 nan 8.250 nan 0.000 0.491 38 H N -1.450 117.651 119.070 0.051 0.000 3.211 38 H HA -0.189 4.367 4.556 -0.001 0.000 0.240 38 H C -0.520 174.944 175.328 0.227 0.000 1.148 38 H CA 0.670 56.816 56.048 0.163 0.000 1.160 38 H CB -1.295 28.620 29.762 0.256 0.000 1.232 38 H HN 0.357 nan 8.280 nan 0.000 0.321 39 L N 0.469 121.835 121.223 0.238 0.000 2.319 39 L HA 0.422 4.762 4.340 -0.001 0.000 0.267 39 L C 0.558 177.506 176.870 0.129 0.000 1.011 39 L CA -0.755 54.207 54.840 0.205 0.000 0.818 39 L CB 1.675 43.856 42.059 0.202 0.000 1.316 39 L HN 0.195 nan 8.230 nan 0.000 0.432 40 S N 1.620 117.386 115.700 0.110 0.000 2.544 40 S HA 0.188 4.658 4.470 -0.001 0.000 0.290 40 S C -2.375 172.274 174.600 0.081 0.000 1.276 40 S CA -0.929 57.320 58.200 0.081 0.000 1.075 40 S CB -0.047 63.194 63.200 0.067 0.000 0.849 40 S HN 0.325 nan 8.310 nan 0.000 0.494 41 P HA 0.526 nan 4.420 nan 0.000 0.285 41 P C -0.886 176.453 177.300 0.065 0.000 1.259 41 P CA -0.599 62.544 63.100 0.071 0.000 0.794 41 P CB 0.638 32.378 31.700 0.068 0.000 0.940 42 I N -0.131 120.479 120.570 0.068 0.000 2.722 42 I HA 0.535 4.705 4.170 -0.001 0.000 0.295 42 I C 0.382 176.533 176.117 0.057 0.000 1.161 42 I CA -1.014 60.320 61.300 0.057 0.000 1.032 42 I CB 1.807 39.842 38.000 0.059 0.000 1.244 42 I HN 0.247 nan 8.210 nan 0.000 0.421 43 G N 2.548 111.373 108.800 0.042 0.000 2.444 43 G HA2 0.537 4.497 3.960 -0.001 0.000 0.303 43 G HA3 0.537 4.497 3.960 -0.001 0.000 0.303 43 G C 0.272 175.191 174.900 0.033 0.000 1.032 43 G CA 0.304 45.426 45.100 0.037 0.000 1.137 43 G HN 1.022 nan 8.290 nan 0.000 0.430 44 A N 1.865 124.715 122.820 0.049 0.000 1.933 44 A HA 0.095 4.414 4.320 -0.001 0.000 0.198 44 A C 2.250 179.865 177.584 0.052 0.000 1.617 44 A CA 1.115 53.176 52.037 0.040 0.000 1.039 44 A CB -0.402 18.630 19.000 0.052 0.000 1.066 44 A HN 1.157 nan 8.150 nan 0.000 0.484 45 C N -0.926 118.430 119.300 0.094 0.000 2.464 45 C HA 0.311 4.771 4.460 -0.001 0.000 0.278 45 C C 1.234 176.272 174.990 0.080 0.000 1.375 45 C CA 0.420 59.517 59.018 0.132 0.000 1.761 45 C CB -1.058 26.829 27.740 0.244 0.000 1.944 45 C HN 0.575 nan 8.230 nan 0.000 0.509 46 R N -0.708 119.817 120.500 0.041 0.000 3.423 46 R HA -0.157 4.183 4.340 -0.001 0.000 0.271 46 R C 0.594 176.879 176.300 -0.026 0.000 1.093 46 R CA 0.968 57.073 56.100 0.009 0.000 0.730 46 R CB -1.943 28.364 30.300 0.013 0.000 1.190 46 R HN 0.542 nan 8.270 nan 0.000 0.437 47 M N -0.837 118.725 119.600 -0.064 0.000 2.657 47 M HA 0.023 4.503 4.480 -0.001 0.000 0.262 47 M C 1.918 178.106 176.300 -0.186 0.000 1.213 47 M CA 1.191 56.389 55.300 -0.170 0.000 1.182 47 M CB -0.052 32.366 32.600 -0.304 0.000 1.303 47 M HN 0.460 nan 8.290 nan 0.000 0.501 48 C N 1.771 121.002 119.300 -0.115 0.000 2.289 48 C HA 0.458 4.918 4.460 -0.001 0.000 0.391 48 C C 0.715 175.649 174.990 -0.093 0.000 1.304 48 C CA -1.138 57.818 59.018 -0.102 0.000 1.679 48 C CB -2.364 25.365 27.740 -0.017 0.000 1.885 48 C HN 0.190 nan 8.230 nan 0.000 0.587 49 L N 2.068 123.224 121.223 -0.111 0.000 2.380 49 L HA 0.544 4.884 4.340 -0.001 0.000 0.273 49 L C 0.512 177.317 176.870 -0.109 0.000 1.138 49 L CA 0.047 54.832 54.840 -0.091 0.000 0.832 49 L CB 0.947 42.954 42.059 -0.087 0.000 1.124 49 L HN 0.458 nan 8.230 nan 0.000 0.454 50 V N 1.152 121.012 119.914 -0.090 0.000 3.164 50 V HA 0.630 4.750 4.120 -0.001 0.000 0.313 50 V C -0.466 175.561 176.094 -0.111 0.000 1.188 50 V CA -1.182 61.055 62.300 -0.105 0.000 1.058 50 V CB 1.960 33.734 31.823 -0.081 0.000 1.110 50 V HN 0.777 nan 8.190 nan 0.000 0.453 51 R N 0.218 120.625 120.500 -0.154 0.000 2.514 51 R HA 0.756 5.096 4.340 -0.001 0.000 0.301 51 R C -1.548 174.743 176.300 -0.016 0.000 0.962 51 R CA -0.705 55.269 56.100 -0.211 0.000 0.882 51 R CB 1.474 31.455 30.300 -0.532 0.000 1.143 51 R HN 0.852 nan 8.270 nan 0.000 0.452 52 I N 2.810 123.478 120.570 0.164 0.000 2.436 52 I HA 0.376 4.546 4.170 -0.001 0.000 0.289 52 I C 0.113 176.528 176.117 0.496 0.000 1.010 52 I CA -0.693 60.796 61.300 0.315 0.000 1.098 52 I CB 2.209 40.294 38.000 0.142 0.000 1.266 52 I HN 0.734 nan 8.210 nan 0.000 0.434 53 G N 5.506 114.520 108.800 0.357 0.000 2.416 53 G HA2 0.596 4.556 3.960 -0.001 0.000 0.329 53 G HA3 0.596 4.556 3.960 -0.001 0.000 0.329 53 G C -0.733 174.101 174.900 -0.110 0.000 1.173 53 G CA -0.153 44.873 45.100 -0.123 0.000 0.929 53 G HN 0.467 nan 8.290 nan 0.000 0.475 54 L N 2.344 123.497 121.223 -0.117 0.000 3.524 54 L HA 0.411 4.751 4.340 -0.001 0.000 0.337 54 L C -2.275 174.552 176.870 -0.072 0.000 1.330 54 L CA -0.656 54.145 54.840 -0.066 0.000 0.966 54 L CB 0.821 42.872 42.059 -0.015 0.000 1.395 54 L HN 0.585 nan 8.230 nan 0.000 0.616 74 Q N 5.127 124.715 119.800 -0.353 0.000 2.771 74 Q HA 0.298 4.638 4.340 -0.001 0.000 0.247 74 Q C -1.400 174.541 176.000 -0.097 0.000 0.986 74 Q CA -0.590 55.102 55.803 -0.185 0.000 0.713 74 Q CB 1.351 30.035 28.738 -0.089 0.000 1.241 74 Q HN 0.605 nan 8.270 nan 0.000 0.488 75 W N 3.219 124.511 121.300 -0.014 0.000 2.385 75 W HA -0.050 4.610 4.660 -0.001 0.000 0.336 75 W C 0.885 177.396 176.519 -0.014 0.000 1.351 75 W CA -0.369 56.967 57.345 -0.016 0.000 1.295 75 W CB 0.539 29.989 29.460 -0.016 0.000 1.239 75 W HN 0.241 nan 8.180 nan 0.000 0.565 76 Q N 4.258 124.233 119.800 0.292 0.000 2.394 76 Q HA 0.004 4.344 4.340 -0.001 0.000 0.248 76 Q C -1.303 174.766 176.000 0.116 0.000 0.992 76 Q CA -0.897 54.996 55.803 0.148 0.000 0.888 76 Q CB 0.348 29.153 28.738 0.111 0.000 1.257 76 Q HN 0.305 nan 8.270 nan 0.000 0.462 77 P HA -0.105 nan 4.420 nan 0.000 0.217 77 P C -0.292 177.014 177.300 0.010 0.000 1.154 77 P CA 1.398 64.522 63.100 0.040 0.000 0.841 77 P CB 0.293 32.011 31.700 0.030 0.000 0.788 78 K N -0.359 120.046 120.400 0.007 0.000 2.166 78 K HA 0.506 4.825 4.320 -0.001 0.000 0.245 78 K C -0.452 176.135 176.600 -0.021 0.000 0.967 78 K CA -1.020 55.259 56.287 -0.012 0.000 0.863 78 K CB 1.118 33.612 32.500 -0.010 0.000 1.107 78 K HN -0.153 nan 8.250 nan 0.000 0.436 79 L N 1.528 122.726 121.223 -0.041 0.000 2.380 79 L HA 0.282 4.622 4.340 -0.001 0.000 0.273 79 L C 0.161 177.012 176.870 -0.033 0.000 1.138 79 L CA -0.417 54.391 54.840 -0.054 0.000 0.832 79 L CB 1.071 43.085 42.059 -0.075 0.000 1.124 79 L HN 0.807 nan 8.230 nan 0.000 0.454 80 A N 2.727 125.530 122.820 -0.028 0.000 2.306 80 A HA 0.740 5.060 4.320 -0.001 0.000 0.314 80 A C 0.084 177.657 177.584 -0.018 0.000 1.164 80 A CA -0.572 51.458 52.037 -0.012 0.000 0.822 80 A CB 1.070 20.073 19.000 0.005 0.000 1.130 80 A HN 0.777 nan 8.150 nan 0.000 0.496 81 A N 2.038 124.853 122.820 -0.008 0.000 2.475 81 A HA 0.424 4.744 4.320 -0.001 0.000 0.293 81 A C 1.435 179.024 177.584 0.008 0.000 1.252 81 A CA 0.308 52.344 52.037 -0.003 0.000 0.920 81 A CB -0.600 18.405 19.000 0.007 0.000 1.125 81 A HN 1.821 nan 8.150 nan 0.000 0.528 82 S N 1.587 117.288 115.700 0.001 0.000 2.440 82 S HA -0.225 4.245 4.470 -0.001 0.000 0.238 82 S C 1.741 176.365 174.600 0.040 0.000 1.010 82 S CA 1.532 59.740 58.200 0.014 0.000 0.972 82 S CB -1.293 61.904 63.200 -0.004 0.000 0.774 82 S HN 1.399 nan 8.310 nan 0.000 0.501 83 C N 0.794 120.124 119.300 0.050 0.000 2.514 83 C HA 0.432 4.891 4.460 -0.001 0.000 0.271 83 C C 1.933 176.959 174.990 0.061 0.000 1.399 83 C CA 0.121 59.181 59.018 0.071 0.000 1.765 83 C CB -1.351 26.442 27.740 0.087 0.000 1.893 83 C HN 0.648 nan 8.230 nan 0.000 0.531 84 V N -1.906 118.036 119.914 0.047 0.000 3.346 84 V HA 0.324 4.444 4.120 -0.001 0.000 0.309 84 V C 0.181 176.297 176.094 0.037 0.000 1.457 84 V CA 0.229 62.555 62.300 0.043 0.000 1.069 84 V CB -0.908 30.938 31.823 0.038 0.000 0.944 84 V HN 0.415 nan 8.190 nan 0.000 0.449 85 T N 2.940 117.516 114.554 0.037 0.000 2.767 85 T HA 0.779 5.129 4.350 -0.001 0.000 0.288 85 T C 0.507 175.232 174.700 0.041 0.000 0.963 85 T CA 0.506 62.627 62.100 0.034 0.000 1.019 85 T CB 1.466 70.352 68.868 0.030 0.000 0.923 85 T HN 0.736 nan 8.240 nan 0.000 0.468 86 A N 2.868 125.712 122.820 0.040 0.000 2.327 86 A HA 0.617 4.937 4.320 -0.001 0.000 0.255 86 A C 0.507 178.117 177.584 0.043 0.000 1.099 86 A CA -0.670 51.394 52.037 0.044 0.000 0.801 86 A CB 0.108 19.132 19.000 0.039 0.000 1.062 86 A HN 0.933 nan 8.150 nan 0.000 0.496 87 V N -1.458 118.484 119.914 0.046 0.000 2.427 87 V HA 0.785 4.905 4.120 -0.001 0.000 0.286 87 V C 0.272 176.383 176.094 0.029 0.000 1.034 87 V CA -0.273 62.052 62.300 0.041 0.000 0.893 87 V CB 0.498 32.351 31.823 0.051 0.000 0.982 87 V HN 1.430 nan 8.190 nan 0.000 0.452 88 A N 3.021 125.854 122.820 0.023 0.000 2.294 88 A HA 0.562 4.882 4.320 -0.001 0.000 0.330 88 A C 0.006 177.595 177.584 0.008 0.000 1.133 88 A CA -0.654 51.391 52.037 0.013 0.000 0.836 88 A CB 0.777 19.783 19.000 0.010 0.000 1.190 88 A HN 0.932 nan 8.150 nan 0.000 0.492 89 D N 0.648 121.050 120.400 0.002 0.000 2.488 89 D HA 0.326 4.965 4.640 -0.001 0.000 0.238 89 D C 1.190 177.485 176.300 -0.008 0.000 1.138 89 D CA 2.113 56.111 54.000 -0.003 0.000 0.873 89 D CB 0.448 41.244 40.800 -0.006 0.000 1.183 89 D HN 1.228 nan 8.370 nan 0.000 0.458 90 G N 3.445 112.239 108.800 -0.009 0.000 2.359 90 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.298 90 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.298 90 G C 0.107 174.992 174.900 -0.026 0.000 1.030 90 G CA 0.717 45.805 45.100 -0.019 0.000 1.149 90 G HN 0.550 nan 8.290 nan 0.000 0.512 91 M N 0.682 120.274 119.600 -0.013 0.000 2.456 91 M HA 0.720 5.199 4.480 -0.001 0.000 0.324 91 M C -0.438 175.859 176.300 -0.004 0.000 1.124 91 M CA -0.885 54.408 55.300 -0.010 0.000 0.959 91 M CB 2.177 34.784 32.600 0.012 0.000 1.692 91 M HN 0.022 nan 8.290 nan 0.000 0.444 92 V N 4.426 124.333 119.914 -0.011 0.000 2.547 92 V HA 0.626 4.746 4.120 -0.001 0.000 0.299 92 V C -0.702 175.474 176.094 0.137 0.000 1.040 92 V CA -0.681 61.633 62.300 0.024 0.000 0.913 92 V CB 1.732 33.516 31.823 -0.066 0.000 0.992 92 V HN 0.721 nan 8.190 nan 0.000 0.449 93 V N 2.751 122.735 119.914 0.117 0.000 2.447 93 V HA 0.372 4.492 4.120 -0.001 0.000 0.292 93 V C -0.813 175.301 176.094 0.033 0.000 1.021 93 V CA -0.618 61.734 62.300 0.087 0.000 0.850 93 V CB 1.626 33.452 31.823 0.005 0.000 1.005 93 V HN 0.991 nan 8.190 nan 0.000 0.426 94 D N 3.103 123.516 120.400 0.022 0.000 2.274 94 D HA 0.441 5.080 4.640 -0.001 0.000 0.239 94 D C 0.962 177.169 176.300 -0.155 0.000 1.104 94 D CA 0.126 54.071 54.000 -0.091 0.000 0.840 94 D CB 2.089 42.793 40.800 -0.160 0.000 1.100 94 D HN 0.644 nan 8.370 nan 0.000 0.477 95 T N 0.959 115.414 114.554 -0.166 0.000 3.085 95 T HA 0.164 4.514 4.350 -0.001 0.000 0.264 95 T C 1.001 175.649 174.700 -0.087 0.000 1.019 95 T CA -0.190 61.824 62.100 -0.143 0.000 0.910 95 T CB -0.134 68.638 68.868 -0.159 0.000 1.059 95 T HN 0.329 nan 8.240 nan 0.000 0.542 96 L N 0.601 121.775 121.223 -0.082 0.000 2.749 96 L HA 0.451 4.791 4.340 -0.001 0.000 0.242 96 L C 1.081 177.937 176.870 -0.024 0.000 1.103 96 L CA -0.106 54.718 54.840 -0.027 0.000 0.906 96 L CB 0.206 42.260 42.059 -0.008 0.000 1.228 96 L HN 0.066 nan 8.230 nan 0.000 0.517 97 S N 0.826 116.483 115.700 -0.070 0.000 2.554 97 S HA -0.110 4.360 4.470 -0.001 0.000 0.290 97 S C 0.929 175.514 174.600 -0.025 0.000 1.309 97 S CA -0.132 58.025 58.200 -0.072 0.000 1.047 97 S CB 0.383 63.484 63.200 -0.165 0.000 0.828 97 S HN 0.251 nan 8.310 nan 0.000 0.509 98 D N 1.747 122.156 120.400 0.015 0.000 2.271 98 D HA -0.104 4.536 4.640 -0.001 0.000 0.207 98 D C 1.782 178.080 176.300 -0.004 0.000 0.983 98 D CA 0.834 54.888 54.000 0.090 0.000 0.878 98 D CB -0.022 40.844 40.800 0.111 0.000 0.920 98 D HN 0.292 nan 8.370 nan 0.000 0.479 99 V N 0.175 120.043 119.914 -0.076 0.000 2.346 99 V HA -0.164 3.956 4.120 -0.001 0.000 0.244 99 V C 2.606 178.611 176.094 -0.149 0.000 1.037 99 V CA 0.731 62.954 62.300 -0.129 0.000 1.029 99 V CB -0.309 31.416 31.823 -0.164 0.000 0.663 99 V HN 0.029 nan 8.190 nan 0.000 0.454 100 V N 0.095 119.924 119.914 -0.142 0.000 2.214 100 V HA -0.289 3.830 4.120 -0.001 0.000 0.245 100 V C 2.614 178.642 176.094 -0.109 0.000 1.047 100 V CA 2.317 64.539 62.300 -0.131 0.000 0.998 100 V CB -0.751 30.997 31.823 -0.124 0.000 0.633 100 V HN 0.425 nan 8.190 nan 0.000 0.446 101 R N -0.458 120.017 120.500 -0.041 0.000 2.117 101 R HA -0.244 4.095 4.340 -0.001 0.000 0.243 101 R C 2.378 178.591 176.300 -0.144 0.000 1.143 101 R CA 1.911 58.029 56.100 0.029 0.000 0.968 101 R CB -0.370 30.049 30.300 0.199 0.000 0.863 101 R HN 0.735 nan 8.270 nan 0.000 0.444 102 E N 0.495 120.442 120.200 -0.421 0.000 2.077 102 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 102 E C 1.896 178.206 176.600 -0.483 0.000 0.989 102 E CA 1.179 57.012 56.400 -0.945 0.000 0.800 102 E CB -0.039 29.164 29.700 -0.830 0.000 0.746 102 E HN 0.337 nan 8.360 nan 0.000 0.452 103 A N 0.845 123.491 122.820 -0.290 0.000 1.877 103 A HA -0.251 4.069 4.320 -0.001 0.000 0.216 103 A C 2.131 179.612 177.584 -0.172 0.000 1.186 103 A CA 1.720 53.639 52.037 -0.195 0.000 0.620 103 A CB -0.639 18.275 19.000 -0.142 0.000 0.822 103 A HN 0.365 nan 8.150 nan 0.000 0.443 104 Q N -0.632 119.074 119.800 -0.157 0.000 1.956 104 Q HA -0.195 4.144 4.340 -0.001 0.000 0.208 104 Q C 2.463 178.397 176.000 -0.110 0.000 0.998 104 Q CA 1.768 57.490 55.803 -0.135 0.000 0.855 104 Q CB -0.506 28.164 28.738 -0.113 0.000 0.928 104 Q HN 0.660 nan 8.270 nan 0.000 0.418 105 A N 0.836 123.607 122.820 -0.081 0.000 1.997 105 A HA -0.227 4.092 4.320 -0.001 0.000 0.221 105 A C 2.224 179.718 177.584 -0.149 0.000 1.172 105 A CA 1.966 53.968 52.037 -0.058 0.000 0.645 105 A CB -1.344 17.657 19.000 0.001 0.000 0.813 105 A HN 0.559 nan 8.150 nan 0.000 0.454 106 G N -1.540 107.114 108.800 -0.243 0.000 2.402 106 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.216 106 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.216 106 G C 1.439 176.067 174.900 -0.453 0.000 1.162 106 G CA 1.312 46.173 45.100 -0.398 0.000 0.777 106 G HN 0.412 nan 8.290 nan 0.000 0.539 107 M N 0.432 119.917 119.600 -0.191 0.000 2.319 107 M HA 0.136 4.615 4.480 -0.001 0.000 0.265 107 M C 2.369 178.673 176.300 0.007 0.000 1.068 107 M CA 0.608 55.900 55.300 -0.013 0.000 1.118 107 M CB -0.080 32.521 32.600 0.001 0.000 1.395 107 M HN 0.040 nan 8.290 nan 0.000 0.435 108 V N -0.250 119.638 119.914 -0.044 0.000 2.548 108 V HA -0.211 3.908 4.120 -0.001 0.000 0.249 108 V C 2.204 178.316 176.094 0.030 0.000 1.055 108 V CA 1.909 64.226 62.300 0.028 0.000 1.065 108 V CB -0.716 31.128 31.823 0.035 0.000 0.681 108 V HN 0.596 nan 8.190 nan 0.000 0.462 109 E N -0.171 119.982 120.200 -0.079 0.000 2.112 109 E HA -0.182 4.168 4.350 -0.001 0.000 0.190 109 E C 2.060 178.650 176.600 -0.018 0.000 0.979 109 E CA 1.146 57.492 56.400 -0.090 0.000 0.814 109 E CB -0.173 29.398 29.700 -0.216 0.000 0.762 109 E HN 0.475 nan 8.360 nan 0.000 0.460 110 F N 1.472 121.430 119.950 0.013 0.000 2.216 110 F HA -0.112 4.415 4.527 -0.001 0.000 0.300 110 F C 2.427 178.226 175.800 -0.002 0.000 1.085 110 F CA 1.432 59.425 58.000 -0.012 0.000 1.326 110 F CB -0.974 38.017 39.000 -0.015 0.000 1.027 110 F HN 0.066 nan 8.300 nan 0.000 0.497 111 T N 0.589 115.281 114.554 0.231 0.000 2.639 111 T HA -0.123 4.227 4.350 -0.001 0.000 0.261 111 T C 2.153 176.932 174.700 0.133 0.000 1.053 111 T CA 1.091 63.309 62.100 0.197 0.000 1.158 111 T CB -0.650 68.387 68.868 0.283 0.000 0.863 111 T HN 0.146 nan 8.240 nan 0.000 0.413 112 L N 1.148 122.427 121.223 0.093 0.000 2.633 112 L HA 0.034 4.373 4.340 -0.001 0.000 0.235 112 L C 2.263 179.171 176.870 0.063 0.000 1.163 112 L CA 0.138 55.014 54.840 0.061 0.000 0.859 112 L CB -0.670 41.416 42.059 0.044 0.000 0.973 112 L HN 0.212 nan 8.230 nan 0.000 0.451 113 L N 0.292 121.517 121.223 0.002 0.000 1.989 113 L HA -0.205 4.135 4.340 -0.001 0.000 0.211 113 L C 1.948 178.622 176.870 -0.326 0.000 1.071 113 L CA 1.882 56.598 54.840 -0.207 0.000 0.749 113 L CB -0.237 41.674 42.059 -0.245 0.000 0.890 113 L HN 0.302 nan 8.230 nan 0.000 0.431 114 N N -2.073 116.535 118.700 -0.154 0.000 2.236 114 N HA 0.010 4.750 4.740 -0.001 0.000 0.196 114 N C -0.242 175.297 175.510 0.049 0.000 1.114 114 N CA -0.001 52.993 53.050 -0.093 0.000 0.859 114 N CB -0.130 38.308 38.487 -0.081 0.000 0.982 114 N HN 0.441 nan 8.380 nan 0.000 0.493 115 H N 1.706 120.784 119.070 0.013 0.000 2.757 115 H HA 0.072 4.628 4.556 -0.001 0.000 0.370 115 H C -1.023 174.349 175.328 0.074 0.000 1.172 115 H CA -0.488 55.591 56.048 0.053 0.000 1.426 115 H CB 1.269 31.064 29.762 0.055 0.000 1.438 115 H HN 0.003 nan 8.280 nan 0.000 0.612 116 P HA 0.003 nan 4.420 nan 0.000 0.220 116 P C -0.370 177.006 177.300 0.126 0.000 1.154 116 P CA 0.679 63.803 63.100 0.041 0.000 0.830 116 P CB 1.228 32.897 31.700 -0.052 0.000 0.803 117 L N -0.305 121.024 121.223 0.178 0.000 3.266 117 L HA -0.081 4.259 4.340 -0.001 0.000 0.514 117 L C -0.429 176.512 176.870 0.118 0.000 1.298 117 L CA -0.088 54.842 54.840 0.150 0.000 0.913 117 L CB -1.806 40.326 42.059 0.121 0.000 1.885 117 L HN -0.010 nan 8.230 nan 0.000 0.735 118 D N -1.520 118.959 120.400 0.132 0.000 2.433 118 D HA 0.178 4.818 4.640 -0.001 0.000 0.211 118 D C 1.654 178.015 176.300 0.102 0.000 1.114 118 D CA 0.295 54.358 54.000 0.106 0.000 0.837 118 D CB 0.232 41.096 40.800 0.106 0.000 0.984 118 D HN 0.479 nan 8.370 nan 0.000 0.505 119 C N 1.829 121.197 119.300 0.113 0.000 2.369 119 C HA -0.190 4.270 4.460 -0.001 0.000 0.273 119 C C -0.138 174.907 174.990 0.091 0.000 1.172 119 C CA 0.953 60.036 59.018 0.107 0.000 1.791 119 C CB -1.437 26.361 27.740 0.096 0.000 2.086 119 C HN 0.374 nan 8.230 nan 0.000 0.459 120 P HA -0.058 nan 4.420 nan 0.000 0.216 120 P C 1.582 178.889 177.300 0.012 0.000 1.153 120 P CA 1.795 64.926 63.100 0.052 0.000 0.844 120 P CB -0.311 31.410 31.700 0.035 0.000 0.787 121 T N -1.347 113.212 114.554 0.009 0.000 3.014 121 T HA 0.002 4.352 4.350 -0.001 0.000 0.263 121 T C 0.836 175.533 174.700 -0.005 0.000 1.078 121 T CA 0.110 62.189 62.100 -0.035 0.000 1.135 121 T CB -0.617 68.257 68.868 0.010 0.000 0.895 121 T HN 0.125 nan 8.240 nan 0.000 0.480 122 C N 2.661 121.999 119.300 0.064 0.000 2.653 122 C HA 0.139 4.599 4.460 -0.001 0.000 0.421 122 C C 1.672 176.717 174.990 0.093 0.000 1.334 122 C CA -0.585 58.500 59.018 0.111 0.000 1.885 122 C CB -0.260 27.555 27.740 0.124 0.000 2.645 122 C HN 0.405 nan 8.230 nan 0.000 0.601 123 D N 1.876 122.362 120.400 0.142 0.000 2.363 123 D HA 0.004 4.644 4.640 -0.001 0.000 0.220 123 D C 1.631 177.977 176.300 0.077 0.000 0.994 123 D CA 0.717 54.786 54.000 0.114 0.000 0.890 123 D CB 0.068 40.995 40.800 0.211 0.000 0.906 123 D HN 0.508 nan 8.370 nan 0.000 0.530 124 K N 0.390 120.846 120.400 0.093 0.000 2.505 124 K HA 0.100 4.419 4.320 -0.001 0.000 0.192 124 K C 1.230 177.890 176.600 0.101 0.000 1.025 124 K CA 0.109 56.449 56.287 0.088 0.000 1.086 124 K CB -0.454 32.104 32.500 0.096 0.000 0.840 124 K HN 0.161 nan 8.250 nan 0.000 0.514 125 G N 0.622 109.486 108.800 0.107 0.000 2.607 125 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.664 125 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.664 125 G C 0.976 176.025 174.900 0.249 0.000 1.264 125 G CA 0.865 46.074 45.100 0.182 0.000 0.906 125 G HN 0.407 nan 8.290 nan 0.000 0.599 126 G N -0.487 108.539 108.800 0.376 0.000 2.985 126 G HA2 0.473 4.432 3.960 -0.001 0.000 0.209 126 G HA3 0.473 4.432 3.960 -0.001 0.000 0.209 126 G C 1.036 176.053 174.900 0.195 0.000 1.165 126 G CA 1.123 46.408 45.100 0.308 0.000 0.776 126 G HN 1.501 nan 8.290 nan 0.000 0.541 127 A N -0.190 122.726 122.820 0.160 0.000 2.577 127 A HA 0.408 4.727 4.320 -0.001 0.000 0.280 127 A C 0.535 178.170 177.584 0.086 0.000 1.331 127 A CA -0.350 51.751 52.037 0.107 0.000 0.935 127 A CB -0.638 18.410 19.000 0.080 0.000 1.082 127 A HN 0.385 nan 8.150 nan 0.000 0.525 128 C N 0.936 120.293 119.300 0.095 0.000 2.239 128 C HA 0.416 4.876 4.460 -0.001 0.000 0.323 128 C C 1.326 176.367 174.990 0.085 0.000 1.205 128 C CA -0.450 58.615 59.018 0.077 0.000 1.584 128 C CB -0.781 27.008 27.740 0.081 0.000 2.201 128 C HN 0.763 nan 8.230 nan 0.000 0.475 129 E N 2.552 122.802 120.200 0.083 0.000 2.169 129 E HA -0.307 4.043 4.350 -0.001 0.000 0.202 129 E C 1.650 178.383 176.600 0.222 0.000 1.016 129 E CA 1.409 57.902 56.400 0.155 0.000 0.817 129 E CB -0.171 29.624 29.700 0.158 0.000 0.736 129 E HN 0.823 nan 8.360 nan 0.000 0.462 130 L N 1.291 122.541 121.223 0.045 0.000 2.046 130 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 130 L C 2.349 179.307 176.870 0.146 0.000 1.077 130 L CA 1.801 56.668 54.840 0.046 0.000 0.747 130 L CB -0.354 41.583 42.059 -0.204 0.000 0.896 130 L HN 0.047 nan 8.230 nan 0.000 0.432 131 Q N -0.546 119.303 119.800 0.082 0.000 2.061 131 Q HA -0.236 4.104 4.340 -0.001 0.000 0.204 131 Q C 1.816 177.881 176.000 0.108 0.000 0.984 131 Q CA 2.068 57.920 55.803 0.081 0.000 0.846 131 Q CB -0.134 28.650 28.738 0.076 0.000 0.902 131 Q HN 0.596 nan 8.270 nan 0.000 0.421 132 D N -0.268 120.210 120.400 0.131 0.000 2.117 132 D HA -0.116 4.524 4.640 -0.001 0.000 0.198 132 D C 1.787 178.176 176.300 0.149 0.000 0.982 132 D CA 0.964 55.038 54.000 0.122 0.000 0.828 132 D CB -0.096 40.781 40.800 0.128 0.000 0.967 132 D HN -0.016 nan 8.370 nan 0.000 0.464 133 R N -0.300 120.344 120.500 0.240 0.000 2.189 133 R HA 0.068 4.408 4.340 -0.001 0.000 0.218 133 R C 1.979 178.421 176.300 0.236 0.000 1.074 133 R CA 0.939 57.211 56.100 0.287 0.000 0.991 133 R CB -0.285 30.188 30.300 0.289 0.000 0.883 133 R HN 0.079 nan 8.270 nan 0.000 0.457 134 T N -1.100 113.565 114.554 0.186 0.000 2.978 134 T HA -0.005 4.345 4.350 -0.001 0.000 0.262 134 T C 1.534 176.290 174.700 0.093 0.000 1.063 134 T CA 0.932 63.115 62.100 0.138 0.000 1.140 134 T CB 0.083 69.019 68.868 0.114 0.000 0.886 134 T HN 0.010 nan 8.240 nan 0.000 0.470 135 V N 0.859 120.814 119.914 0.069 0.000 3.052 135 V HA 0.059 4.178 4.120 -0.001 0.000 0.254 135 V C 2.051 178.130 176.094 -0.024 0.000 1.100 135 V CA 1.159 63.478 62.300 0.032 0.000 1.112 135 V CB -0.098 31.742 31.823 0.028 0.000 0.738 135 V HN 0.458 nan 8.190 nan 0.000 0.469 136 E N -0.687 119.477 120.200 -0.061 0.000 2.021 136 E HA -0.109 4.240 4.350 -0.001 0.000 0.189 136 E C 1.364 177.749 176.600 -0.359 0.000 0.980 136 E CA 1.524 57.755 56.400 -0.281 0.000 0.803 136 E CB -0.043 29.397 29.700 -0.434 0.000 0.766 136 E HN 0.745 nan 8.360 nan 0.000 0.449 137 Y N -0.363 119.942 120.300 0.009 0.000 2.481 137 Y HA 0.309 4.859 4.550 -0.000 0.000 0.247 137 Y C 1.005 176.909 175.900 0.006 0.000 1.151 137 Y CA -0.321 57.778 58.100 -0.002 0.000 1.238 137 Y CB 1.129 39.568 38.460 -0.035 0.000 1.179 137 Y HN -0.022 nan 8.280 nan 0.000 0.524 138 G N -0.373 108.503 108.800 0.128 0.000 2.671 138 G HA2 0.461 4.420 3.960 -0.001 0.000 0.275 138 G HA3 0.461 4.420 3.960 -0.001 0.000 0.275 138 G C -0.291 174.652 174.900 0.072 0.000 1.368 138 G CA -0.852 44.302 45.100 0.090 0.000 1.044 138 G HN 0.179 nan 8.290 nan 0.000 0.543 139 L N -0.126 121.130 121.223 0.054 0.000 3.677 139 L HA -0.201 4.139 4.340 -0.001 0.000 0.593 139 L C -0.518 176.366 176.870 0.023 0.000 1.057 139 L CA -0.182 54.669 54.840 0.019 0.000 0.993 139 L CB -1.085 40.964 42.059 -0.018 0.000 1.143 139 L HN 0.622 nan 8.230 nan 0.000 0.745 140 Y N 2.997 123.243 120.300 -0.090 0.000 2.309 140 Y HA 0.230 4.780 4.550 -0.001 0.000 0.327 140 Y C 0.844 176.658 175.900 -0.142 0.000 1.172 140 Y CA -0.322 57.720 58.100 -0.096 0.000 1.280 140 Y CB 0.868 39.276 38.460 -0.086 0.000 1.234 140 Y HN 0.358 nan 8.280 nan 0.000 0.512 141 E N 6.364 126.128 120.200 -0.728 0.000 2.001 141 E HA 0.136 4.486 4.350 -0.001 0.000 0.279 141 E C -0.930 175.064 176.600 -1.009 0.000 1.045 141 E CA -0.679 55.284 56.400 -0.728 0.000 0.833 141 E CB 0.201 29.596 29.700 -0.509 0.000 1.077 141 E HN 0.571 nan 8.360 nan 0.000 0.397 142 K N 2.984 122.948 120.400 -0.727 0.000 2.276 142 K HA 0.252 4.572 4.320 -0.001 0.000 0.283 142 K C -0.857 175.446 176.600 -0.495 0.000 1.044 142 K CA -0.131 55.885 56.287 -0.451 0.000 0.944 142 K CB 0.875 33.290 32.500 -0.143 0.000 1.012 142 K HN 0.313 nan 8.250 nan 0.000 0.472 151 L N 5.627 126.833 121.223 -0.029 0.000 2.771 151 L HA 0.022 4.362 4.340 -0.001 0.000 0.278 151 L C -1.901 174.928 176.870 -0.069 0.000 1.175 151 L CA -0.516 54.303 54.840 -0.034 0.000 0.973 151 L CB -0.238 41.813 42.059 -0.013 0.000 1.286 151 L HN 0.211 nan 8.230 nan 0.000 0.481 152 P HA 0.158 nan 4.420 nan 0.000 0.278 152 P C -0.744 176.435 177.300 -0.202 0.000 1.238 152 P CA -0.365 62.612 63.100 -0.205 0.000 0.794 152 P CB 1.444 32.943 31.700 -0.336 0.000 0.955 153 V N 3.566 123.379 119.914 -0.170 0.000 2.370 153 V HA 0.088 4.207 4.120 -0.001 0.000 0.279 153 V C 0.561 176.610 176.094 -0.076 0.000 1.029 153 V CA -0.045 62.209 62.300 -0.076 0.000 0.870 153 V CB 0.634 32.441 31.823 -0.026 0.000 0.984 153 V HN 0.506 nan 8.190 nan 0.000 0.451 154 Y N 2.687 122.995 120.300 0.012 0.000 2.343 154 Y HA 0.130 4.679 4.550 -0.001 0.000 0.294 154 Y C 1.593 177.514 175.900 0.034 0.000 1.122 154 Y CA 1.018 59.130 58.100 0.020 0.000 1.173 154 Y CB 0.508 38.981 38.460 0.021 0.000 1.077 154 Y HN 0.540 nan 8.280 nan 0.000 0.542 155 T N 0.431 115.111 114.554 0.209 0.000 2.841 155 T HA 0.327 4.677 4.350 -0.001 0.000 0.285 155 T C 0.577 175.353 174.700 0.126 0.000 0.991 155 T CA -0.644 61.553 62.100 0.162 0.000 0.966 155 T CB 0.925 69.891 68.868 0.164 0.000 0.962 155 T HN 0.067 nan 8.240 nan 0.000 0.438 156 R N 2.864 123.446 120.500 0.136 0.000 2.075 156 R HA 0.117 4.456 4.340 -0.001 0.000 0.220 156 R C 0.660 177.059 176.300 0.165 0.000 1.118 156 R CA 0.206 56.379 56.100 0.123 0.000 0.986 156 R CB -0.338 30.034 30.300 0.120 0.000 0.884 156 R HN 0.602 nan 8.270 nan 0.000 0.439 157 F N 4.333 124.345 119.950 0.102 0.000 2.571 157 F HA -0.079 4.448 4.527 -0.001 0.000 0.390 157 F C 0.596 176.436 175.800 0.066 0.000 1.043 157 F CA 0.228 58.325 58.000 0.162 0.000 1.164 157 F CB 0.353 39.469 39.000 0.193 0.000 1.049 157 F HN 0.110 nan 8.300 nan 0.000 0.552 158 E N 5.648 125.521 120.200 -0.546 0.000 3.646 158 E HA 0.230 4.579 4.350 -0.001 0.000 0.211 158 E C -1.174 174.840 176.600 -0.976 0.000 1.034 158 E CA -0.357 55.688 56.400 -0.592 0.000 1.341 158 E CB -0.006 29.433 29.700 -0.435 0.000 1.202 158 E HN 0.417 nan 8.360 nan 0.000 0.447 159 F N 0.106 119.535 119.950 -0.868 0.000 2.732 159 F HA 0.419 4.946 4.527 -0.001 0.000 0.394 159 F C 0.730 176.434 175.800 -0.160 0.000 1.194 159 F CA -1.288 56.379 58.000 -0.555 0.000 1.127 159 F CB 1.044 39.618 39.000 -0.711 0.000 1.470 159 F HN -0.237 nan 8.300 nan 0.000 0.505 160 T N 2.097 116.783 114.554 0.219 0.000 2.737 160 T HA 0.319 4.669 4.350 -0.001 0.000 0.296 160 T C 0.195 175.012 174.700 0.196 0.000 0.922 160 T CA -0.500 61.699 62.100 0.165 0.000 1.079 160 T CB 0.049 68.981 68.868 0.107 0.000 0.892 160 T HN 0.281 nan 8.240 nan 0.000 0.514 161 R N 1.702 122.281 120.500 0.132 0.000 2.863 161 R HA 0.230 4.570 4.340 -0.001 0.000 0.273 161 R C 0.876 177.041 176.300 -0.224 0.000 1.057 161 R CA -0.591 55.548 56.100 0.065 0.000 1.191 161 R CB 0.492 30.848 30.300 0.093 0.000 1.104 161 R HN 0.469 nan 8.270 nan 0.000 0.519 162 R N 1.417 121.852 120.500 -0.108 0.000 2.401 162 R HA 0.017 4.357 4.340 -0.001 0.000 0.299 162 R C -0.820 175.443 176.300 -0.062 0.000 1.064 162 R CA 0.182 56.237 56.100 -0.074 0.000 1.000 162 R CB 0.245 30.557 30.300 0.020 0.000 0.973 162 R HN 0.599 nan 8.270 nan 0.000 0.438 163 H N 3.207 122.320 119.070 0.071 0.000 2.551 163 H HA 0.336 4.891 4.556 -0.001 0.000 0.321 163 H C -0.011 175.318 175.328 0.002 0.000 1.028 163 H CA -0.904 55.166 56.048 0.035 0.000 1.215 163 H CB 1.496 31.283 29.762 0.041 0.000 1.414 163 H HN 0.485 nan 8.280 nan 0.000 0.480 164 V N -0.448 119.519 119.914 0.088 0.000 3.109 164 V HA 0.350 4.469 4.120 -0.001 0.000 0.311 164 V C -0.359 175.674 176.094 -0.100 0.000 1.389 164 V CA -1.274 61.007 62.300 -0.033 0.000 1.034 164 V CB 1.438 33.203 31.823 -0.096 0.000 1.105 164 V HN 0.667 nan 8.190 nan 0.000 0.477 165 D N 0.698 120.988 120.400 -0.184 0.000 2.493 165 D HA 0.277 4.916 4.640 -0.001 0.000 0.240 165 D C -0.297 175.873 176.300 -0.217 0.000 1.142 165 D CA 0.768 54.640 54.000 -0.214 0.000 0.872 165 D CB 0.426 41.056 40.800 -0.285 0.000 1.173 165 D HN 0.736 nan 8.370 nan 0.000 0.467 166 K N 1.310 121.517 120.400 -0.322 0.000 2.443 166 K HA 0.270 4.589 4.320 -0.001 0.000 0.251 166 K C -0.813 175.369 176.600 -0.696 0.000 0.972 166 K CA -1.117 54.920 56.287 -0.418 0.000 0.833 166 K CB 0.979 33.244 32.500 -0.392 0.000 1.317 166 K HN 0.828 nan 8.250 nan 0.000 0.441 167 H N -0.942 118.157 119.070 0.047 0.000 2.506 167 H HA -0.251 4.304 4.556 -0.001 0.000 0.323 167 H C -1.333 174.033 175.328 0.063 0.000 1.076 167 H CA 1.228 57.299 56.048 0.037 0.000 1.108 167 H CB -2.308 27.457 29.762 0.005 0.000 1.569 167 H HN 0.576 nan 8.280 nan 0.000 0.399 168 H N 1.143 120.220 119.070 0.013 0.000 2.587 168 H HA 0.424 4.979 4.556 -0.001 0.000 0.325 168 H C -2.718 172.624 175.328 0.024 0.000 1.012 168 H CA -2.583 53.474 56.048 0.015 0.000 1.213 168 H CB 1.675 31.421 29.762 -0.026 0.000 1.431 168 H HN 0.242 nan 8.280 nan 0.000 0.492 169 P HA -0.022 nan 4.420 nan 0.000 0.271 169 P C 0.533 177.754 177.300 -0.132 0.000 1.226 169 P CA 0.004 63.017 63.100 -0.146 0.000 0.765 169 P CB 1.598 33.188 31.700 -0.184 0.000 0.835 170 L N 1.624 122.896 121.223 0.083 0.000 2.270 170 L HA 0.023 4.363 4.340 -0.001 0.000 0.210 170 L C 1.419 178.338 176.870 0.081 0.000 1.104 170 L CA 1.040 55.970 54.840 0.150 0.000 0.804 170 L CB -0.199 41.967 42.059 0.178 0.000 0.937 170 L HN 0.534 nan 8.230 nan 0.000 0.450 171 S N -2.047 113.664 115.700 0.017 0.000 2.643 171 S HA 0.372 4.842 4.470 -0.001 0.000 0.270 171 S C -2.502 172.004 174.600 -0.157 0.000 1.166 171 S CA -0.909 57.277 58.200 -0.024 0.000 0.815 171 S CB 1.403 64.643 63.200 0.067 0.000 1.139 171 S HN -0.204 nan 8.310 nan 0.000 0.472 172 P HA 0.226 nan 4.420 nan 0.000 0.252 172 P C 0.013 176.857 177.300 -0.760 0.000 1.265 172 P CA 0.508 63.261 63.100 -0.578 0.000 0.775 172 P CB -0.596 30.625 31.700 -0.798 0.000 1.128 173 F N -1.800 117.992 119.950 -0.264 0.000 2.831 173 F HA 0.195 4.722 4.527 -0.001 0.000 0.334 173 F C 0.632 176.316 175.800 -0.193 0.000 1.071 173 F CA -0.153 57.567 58.000 -0.467 0.000 1.172 173 F CB 1.050 39.276 39.000 -1.290 0.000 1.054 173 F HN -0.372 nan 8.300 nan 0.000 0.572 174 V N 2.123 122.076 119.914 0.064 0.000 2.612 174 V HA 0.392 4.512 4.120 -0.001 0.000 0.301 174 V C -1.046 175.101 176.094 0.089 0.000 1.059 174 V CA -0.925 61.453 62.300 0.130 0.000 0.886 174 V CB 2.813 34.737 31.823 0.169 0.000 1.007 174 V HN 0.053 nan 8.190 nan 0.000 0.426 175 I N 5.557 126.183 120.570 0.093 0.000 2.474 175 I HA 0.632 4.801 4.170 -0.001 0.000 0.294 175 I C -1.351 174.828 176.117 0.104 0.000 1.005 175 I CA -0.967 60.378 61.300 0.076 0.000 1.113 175 I CB 1.782 39.802 38.000 0.033 0.000 1.289 175 I HN 0.602 nan 8.210 nan 0.000 0.436 176 L N 7.945 129.248 121.223 0.133 0.000 2.298 176 L HA 0.515 4.855 4.340 -0.001 0.000 0.284 176 L C -1.022 175.892 176.870 0.074 0.000 1.013 176 L CA 0.014 54.921 54.840 0.112 0.000 0.824 176 L CB 1.171 43.311 42.059 0.134 0.000 1.221 176 L HN 0.487 nan 8.230 nan 0.000 0.418 177 D N 4.212 124.640 120.400 0.047 0.000 2.373 177 D HA 0.275 4.914 4.640 -0.001 0.000 0.227 177 D C 0.677 176.967 176.300 -0.015 0.000 1.091 177 D CA -0.223 53.783 54.000 0.010 0.000 0.840 177 D CB 1.353 42.170 40.800 0.029 0.000 1.060 177 D HN 0.644 nan 8.370 nan 0.000 0.502 178 R N 2.130 122.605 120.500 -0.043 0.000 2.127 178 R HA 0.014 4.354 4.340 -0.001 0.000 0.217 178 R C 1.695 177.978 176.300 -0.029 0.000 1.074 178 R CA 0.492 56.571 56.100 -0.034 0.000 0.991 178 R CB 0.440 30.697 30.300 -0.073 0.000 0.895 178 R HN 0.504 nan 8.270 nan 0.000 0.450 179 E N 0.641 120.813 120.200 -0.047 0.000 2.130 179 E HA -0.212 4.138 4.350 -0.001 0.000 0.196 179 E C 1.875 178.392 176.600 -0.137 0.000 0.998 179 E CA 1.228 57.599 56.400 -0.049 0.000 0.806 179 E CB 0.056 29.736 29.700 -0.034 0.000 0.738 179 E HN 0.276 nan 8.360 nan 0.000 0.459 180 R N -0.042 120.358 120.500 -0.166 0.000 2.200 180 R HA 0.059 4.398 4.340 -0.001 0.000 0.208 180 R C 1.188 177.444 176.300 -0.072 0.000 1.033 180 R CA -0.088 55.839 56.100 -0.289 0.000 1.000 180 R CB -0.294 29.923 30.300 -0.139 0.000 0.906 180 R HN 0.118 nan 8.270 nan 0.000 0.462 181 C N 2.599 121.878 119.300 -0.035 0.000 2.538 181 C HA 0.004 4.464 4.460 -0.001 0.000 0.408 181 C C 1.817 176.823 174.990 0.027 0.000 1.421 181 C CA -0.303 58.697 59.018 -0.030 0.000 1.642 181 C CB -0.601 27.077 27.740 -0.104 0.000 2.553 181 C HN 0.601 nan 8.230 nan 0.000 0.604 182 I N 2.158 122.772 120.570 0.072 0.000 3.914 182 I HA 0.345 4.515 4.170 -0.001 0.000 0.333 182 I C 0.536 176.828 176.117 0.291 0.000 1.449 182 I CA -0.323 61.090 61.300 0.189 0.000 1.135 182 I CB -0.869 37.160 38.000 0.048 0.000 1.073 182 I HN 0.931 nan 8.210 nan 0.000 0.401 183 H N 0.037 119.209 119.070 0.171 0.000 2.822 183 H HA -0.203 4.353 4.556 -0.001 0.000 0.295 183 H C 1.360 176.788 175.328 0.167 0.000 1.151 183 H CA 0.692 56.857 56.048 0.196 0.000 1.151 183 H CB -2.429 27.325 29.762 -0.014 0.000 1.343 183 H HN 0.879 nan 8.280 nan 0.000 0.382 184 C N -0.843 118.606 119.300 0.248 0.000 2.946 184 C HA 0.184 4.644 4.460 -0.001 0.000 0.257 184 C C 1.835 177.009 174.990 0.306 0.000 1.644 184 C CA 0.290 59.438 59.018 0.217 0.000 1.918 184 C CB 0.551 28.383 27.740 0.153 0.000 2.002 184 C HN 0.702 nan 8.230 nan 0.000 0.635 185 K N -1.123 119.425 120.400 0.246 0.000 2.483 185 K HA 0.213 4.533 4.320 -0.001 0.000 0.206 185 K C 2.195 178.899 176.600 0.173 0.000 1.086 185 K CA -0.265 56.200 56.287 0.295 0.000 1.052 185 K CB -0.090 32.585 32.500 0.291 0.000 0.904 185 K HN 0.598 nan 8.250 nan 0.000 0.557 186 R N 0.266 120.845 120.500 0.132 0.000 2.190 186 R HA -0.307 4.033 4.340 -0.001 0.000 0.255 186 R C 2.436 178.779 176.300 0.072 0.000 1.143 186 R CA 2.545 58.701 56.100 0.093 0.000 0.965 186 R CB -0.919 29.415 30.300 0.057 0.000 0.889 186 R HN 0.486 nan 8.270 nan 0.000 0.448 187 C N -0.914 118.397 119.300 0.018 0.000 2.541 187 C HA 0.031 4.491 4.460 -0.001 0.000 0.282 187 C C 2.689 177.677 174.990 -0.004 0.000 1.263 187 C CA 0.429 59.420 59.018 -0.045 0.000 1.709 187 C CB -1.388 26.293 27.740 -0.099 0.000 2.097 187 C HN 0.443 nan 8.230 nan 0.000 0.480 188 V N 1.707 121.615 119.914 -0.010 0.000 2.407 188 V HA -0.177 3.942 4.120 -0.001 0.000 0.248 188 V C 2.781 178.937 176.094 0.104 0.000 1.055 188 V CA 2.465 64.790 62.300 0.042 0.000 1.049 188 V CB -1.127 30.653 31.823 -0.073 0.000 0.662 188 V HN 0.617 nan 8.190 nan 0.000 0.455 189 R N -0.851 119.718 120.500 0.114 0.000 2.097 189 R HA -0.218 4.121 4.340 -0.001 0.000 0.236 189 R C 2.348 178.717 176.300 0.114 0.000 1.135 189 R CA 2.554 58.726 56.100 0.121 0.000 0.934 189 R CB -0.925 29.457 30.300 0.137 0.000 0.846 189 R HN 0.781 nan 8.270 nan 0.000 0.431 190 Y N 0.195 120.485 120.300 -0.017 0.000 2.081 190 Y HA -0.291 4.259 4.550 -0.001 0.000 0.280 190 Y C 1.827 177.696 175.900 -0.052 0.000 1.163 190 Y CA 1.753 59.797 58.100 -0.094 0.000 1.135 190 Y CB -0.666 37.679 38.460 -0.190 0.000 0.970 190 Y HN 0.019 nan 8.280 nan 0.000 0.498 191 F N 1.223 120.992 119.950 -0.302 0.000 2.087 191 F HA -0.251 4.276 4.527 -0.001 0.000 0.299 191 F C 2.571 178.216 175.800 -0.257 0.000 1.100 191 F CA 2.042 59.821 58.000 -0.369 0.000 1.226 191 F CB -1.285 37.644 39.000 -0.119 0.000 0.983 191 F HN 0.425 nan 8.300 nan 0.000 0.479 192 E N 0.044 120.280 120.200 0.059 0.000 2.106 192 E HA -0.183 4.166 4.350 -0.001 0.000 0.192 192 E C 1.789 178.376 176.600 -0.022 0.000 0.984 192 E CA 1.904 58.320 56.400 0.027 0.000 0.806 192 E CB -0.470 29.253 29.700 0.038 0.000 0.750 192 E HN 0.499 nan 8.360 nan 0.000 0.458 193 E N -0.424 119.736 120.200 -0.067 0.000 2.099 193 E HA 0.036 4.385 4.350 -0.001 0.000 0.191 193 E C 1.980 178.498 176.600 -0.138 0.000 0.962 193 E CA 0.835 57.187 56.400 -0.079 0.000 0.826 193 E CB 0.332 30.020 29.700 -0.020 0.000 0.788 193 E HN 0.126 nan 8.360 nan 0.000 0.461 194 V N 1.450 121.199 119.914 -0.276 0.000 2.326 194 V HA -0.047 4.073 4.120 -0.001 0.000 0.237 194 V C -1.176 174.741 176.094 -0.296 0.000 1.044 194 V CA 1.261 63.343 62.300 -0.362 0.000 1.035 194 V CB -0.777 30.679 31.823 -0.612 0.000 0.675 194 V HN 0.197 nan 8.190 nan 0.000 0.470 195 P HA 0.109 nan 4.420 nan 0.000 0.222 195 P C 0.919 178.326 177.300 0.178 0.000 1.157 195 P CA 1.774 64.752 63.100 -0.204 0.000 0.816 195 P CB 0.228 31.797 31.700 -0.219 0.000 0.813 196 G N 0.389 109.252 108.800 0.104 0.000 2.392 196 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.215 196 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.215 196 G C -0.809 174.155 174.900 0.106 0.000 1.097 196 G CA -0.441 44.800 45.100 0.234 0.000 0.840 196 G HN 0.271 nan 8.290 nan 0.000 0.492 197 D N 0.702 121.088 120.400 -0.023 0.000 2.363 197 D HA 0.211 4.851 4.640 -0.001 0.000 0.258 197 D C 0.296 176.427 176.300 -0.281 0.000 1.259 197 D CA -0.409 53.494 54.000 -0.161 0.000 0.921 197 D CB 0.733 41.379 40.800 -0.256 0.000 1.201 197 D HN 0.502 nan 8.370 nan 0.000 0.524 198 E N 0.872 120.986 120.200 -0.144 0.000 2.323 198 E HA 0.042 4.392 4.350 -0.001 0.000 0.313 198 E C 1.260 177.754 176.600 -0.177 0.000 1.236 198 E CA -0.035 56.303 56.400 -0.104 0.000 1.333 198 E CB 0.222 29.901 29.700 -0.034 0.000 1.138 198 E HN 0.212 nan 8.360 nan 0.000 0.492 199 V N -0.323 119.379 119.914 -0.353 0.000 3.177 199 V HA 0.305 4.425 4.120 -0.001 0.000 0.342 199 V C -0.158 175.842 176.094 -0.158 0.000 1.379 199 V CA -0.438 61.664 62.300 -0.330 0.000 1.191 199 V CB -0.360 31.160 31.823 -0.505 0.000 1.167 199 V HN 0.197 nan 8.190 nan 0.000 0.471 200 L N 0.772 121.988 121.223 -0.012 0.000 2.565 200 L HA 0.879 5.218 4.340 -0.001 0.000 0.261 200 L C -1.592 175.262 176.870 -0.028 0.000 0.932 200 L CA 0.110 54.982 54.840 0.053 0.000 0.878 200 L CB 2.046 44.267 42.059 0.271 0.000 1.333 200 L HN 0.330 nan 8.230 nan 0.000 0.409 201 D N 1.398 121.723 120.400 -0.126 0.000 2.665 201 D HA 0.456 5.096 4.640 -0.001 0.000 0.287 201 D C -1.053 175.076 176.300 -0.284 0.000 1.266 201 D CA -0.195 53.695 54.000 -0.185 0.000 0.830 201 D CB 1.370 42.139 40.800 -0.053 0.000 1.356 201 D HN 0.108 nan 8.370 nan 0.000 0.437 202 F N 0.727 120.648 119.950 -0.048 0.000 2.375 202 F HA 0.315 4.842 4.527 -0.001 0.000 0.313 202 F C 1.438 177.098 175.800 -0.234 0.000 1.176 202 F CA -0.426 57.503 58.000 -0.118 0.000 1.142 202 F CB 0.389 39.363 39.000 -0.044 0.000 1.275 202 F HN 0.188 nan 8.300 nan 0.000 0.544 203 I N -0.644 119.775 120.570 -0.252 0.000 4.987 203 I HA 0.129 4.298 4.170 -0.001 0.000 0.240 203 I C 1.170 177.129 176.117 -0.264 0.000 0.946 203 I CA 0.023 61.058 61.300 -0.441 0.000 2.026 203 I CB -1.099 36.273 38.000 -1.047 0.000 1.509 203 I HN 0.510 nan 8.210 nan 0.000 0.472 204 E N 1.915 121.930 120.200 -0.308 0.000 4.556 204 E HA 0.172 4.522 4.350 -0.001 0.000 0.530 204 E C 0.090 176.684 176.600 -0.010 0.000 1.427 204 E CA -0.158 56.208 56.400 -0.057 0.000 3.438 204 E CB 0.359 30.105 29.700 0.076 0.000 1.625 204 E HN 0.364 nan 8.360 nan 0.000 0.559 205 R N -2.030 118.495 120.500 0.042 0.000 2.870 205 R HA 0.590 4.930 4.340 -0.001 0.000 0.262 205 R C 0.286 176.590 176.300 0.007 0.000 1.112 205 R CA -0.370 55.731 56.100 0.002 0.000 0.976 205 R CB 0.467 30.754 30.300 -0.022 0.000 1.261 205 R HN 0.646 nan 8.270 nan 0.000 0.453 206 G N -0.189 108.568 108.800 -0.072 0.000 2.528 206 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.262 206 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.262 206 G C 0.681 175.457 174.900 -0.206 0.000 1.200 206 G CA 0.493 45.514 45.100 -0.131 0.000 0.951 206 G HN 1.339 nan 8.290 nan 0.000 0.566 207 V N -1.785 117.946 119.914 -0.305 0.000 3.510 207 V HA 0.200 4.320 4.120 -0.001 0.000 0.270 207 V C 1.822 177.789 176.094 -0.212 0.000 1.201 207 V CA 2.203 64.312 62.300 -0.319 0.000 1.166 207 V CB -0.508 31.096 31.823 -0.366 0.000 0.825 207 V HN 0.681 nan 8.190 nan 0.000 0.484 208 H N 0.689 119.778 119.070 0.031 0.000 2.595 208 H HA 0.201 4.757 4.556 -0.001 0.000 0.265 208 H C 1.634 177.105 175.328 0.239 0.000 0.953 208 H CA 0.744 56.868 56.048 0.126 0.000 1.197 208 H CB 0.274 30.097 29.762 0.101 0.000 1.438 208 H HN 0.619 nan 8.280 nan 0.000 0.531 209 T N 0.520 115.226 114.554 0.254 0.000 2.903 209 T HA 0.261 4.611 4.350 -0.001 0.000 0.314 209 T C -0.011 174.987 174.700 0.498 0.000 1.078 209 T CA -0.260 61.977 62.100 0.228 0.000 1.114 209 T CB 0.193 69.119 68.868 0.097 0.000 0.987 209 T HN 0.219 nan 8.240 nan 0.000 0.548 210 F N 0.884 121.040 119.950 0.343 0.000 2.713 210 F HA 0.669 5.196 4.527 -0.001 0.000 0.311 210 F C -1.317 174.587 175.800 0.174 0.000 1.141 210 F CA -1.814 56.330 58.000 0.241 0.000 0.939 210 F CB 0.748 39.820 39.000 0.120 0.000 1.325 210 F HN 0.417 nan 8.300 nan 0.000 0.453 211 I N 1.762 122.479 120.570 0.245 0.000 2.519 211 I HA 0.658 4.828 4.170 -0.001 0.000 0.287 211 I C 0.535 176.760 176.117 0.180 0.000 1.047 211 I CA 0.228 61.519 61.300 -0.015 0.000 1.381 211 I CB 0.779 38.701 38.000 -0.129 0.000 1.417 211 I HN 0.960 nan 8.210 nan 0.000 0.540 212 G N 3.530 112.357 108.800 0.045 0.000 2.608 212 G HA2 0.535 4.495 3.960 -0.001 0.000 0.291 212 G HA3 0.535 4.495 3.960 -0.001 0.000 0.291 212 G C -1.431 173.470 174.900 0.000 0.000 1.425 212 G CA -0.258 44.902 45.100 0.101 0.000 0.787 212 G HN 0.531 nan 8.290 nan 0.000 0.484 213 T N -0.788 113.756 114.554 -0.018 0.000 2.883 213 T HA 0.585 4.935 4.350 -0.001 0.000 0.296 213 T C 0.252 174.776 174.700 -0.293 0.000 1.117 213 T CA -0.595 61.421 62.100 -0.140 0.000 1.006 213 T CB 1.678 70.464 68.868 -0.137 0.000 1.191 213 T HN 0.318 nan 8.240 nan 0.000 0.508 214 M N 0.918 120.232 119.600 -0.478 0.000 2.251 214 M HA 0.246 4.726 4.480 -0.001 0.000 0.308 214 M C -0.495 175.139 176.300 -1.109 0.000 0.967 214 M CA 0.347 55.197 55.300 -0.749 0.000 1.103 214 M CB 0.207 32.644 32.600 -0.273 0.000 1.815 214 M HN 0.563 nan 8.290 nan 0.000 0.623 215 D N 0.985 120.984 120.400 -0.668 0.000 2.631 215 D HA 0.154 4.793 4.640 -0.001 0.000 0.227 215 D C 0.781 176.855 176.300 -0.375 0.000 1.146 215 D CA -0.116 53.629 54.000 -0.424 0.000 1.009 215 D CB -0.172 40.481 40.800 -0.245 0.000 1.057 215 D HN 0.021 nan 8.370 nan 0.000 0.509 216 F N 0.975 120.926 119.950 0.001 0.000 2.085 216 F HA -0.226 4.301 4.527 -0.001 0.000 0.299 216 F C 2.753 178.559 175.800 0.010 0.000 1.096 216 F CA 1.271 59.281 58.000 0.016 0.000 1.227 216 F CB -0.867 38.142 39.000 0.014 0.000 0.983 216 F HN 0.387 nan 8.300 nan 0.000 0.482 217 G N 0.070 108.958 108.800 0.147 0.000 2.485 217 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.221 217 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.221 217 G C 0.799 175.738 174.900 0.064 0.000 1.115 217 G CA 0.727 45.878 45.100 0.085 0.000 0.751 217 G HN 0.372 nan 8.290 nan 0.000 0.567 218 L N -0.887 120.349 121.223 0.022 0.000 3.472 218 L HA -0.116 4.223 4.340 -0.001 0.000 0.596 218 L C -0.792 176.070 176.870 -0.013 0.000 1.310 218 L CA 0.217 55.062 54.840 0.007 0.000 0.966 218 L CB -1.561 40.564 42.059 0.111 0.000 1.626 218 L HN 0.199 nan 8.230 nan 0.000 0.865 219 P HA -0.211 nan 4.420 nan 0.000 0.212 219 P C 1.087 178.354 177.300 -0.056 0.000 1.128 219 P CA 2.124 65.186 63.100 -0.064 0.000 0.961 219 P CB 0.028 31.660 31.700 -0.113 0.000 0.782 220 S N -0.997 114.631 115.700 -0.120 0.000 2.540 220 S HA 0.044 4.514 4.470 -0.001 0.000 0.272 220 S C 1.275 175.837 174.600 -0.063 0.000 1.357 220 S CA 0.244 58.398 58.200 -0.077 0.000 1.011 220 S CB -0.005 63.169 63.200 -0.044 0.000 0.852 220 S HN 0.336 nan 8.310 nan 0.000 0.535 221 G N 0.286 108.933 108.800 -0.255 0.000 3.448 221 G HA2 0.440 4.400 3.960 -0.001 0.000 0.261 221 G HA3 0.440 4.400 3.960 -0.001 0.000 0.261 221 G C -0.194 174.283 174.900 -0.704 0.000 1.173 221 G CA -0.363 44.462 45.100 -0.459 0.000 0.835 221 G HN 0.615 nan 8.290 nan 0.000 0.534 222 F N 0.622 120.603 119.950 0.052 0.000 2.810 222 F HA 0.195 4.722 4.527 -0.001 0.000 0.353 222 F C 1.730 177.725 175.800 0.325 0.000 1.227 222 F CA -0.611 57.460 58.000 0.119 0.000 1.210 222 F CB 0.645 39.646 39.000 0.001 0.000 1.039 222 F HN 0.136 nan 8.300 nan 0.000 0.509 223 S N -1.336 114.636 115.700 0.454 0.000 2.558 223 S HA 0.085 4.555 4.470 -0.001 0.000 0.217 223 S C 2.036 176.890 174.600 0.423 0.000 0.975 223 S CA 0.703 59.240 58.200 0.561 0.000 0.912 223 S CB -0.187 63.311 63.200 0.496 0.000 0.776 223 S HN 0.366 nan 8.310 nan 0.000 0.526 224 G N 1.689 110.760 108.800 0.451 0.000 2.623 224 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.214 224 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.214 224 G C 1.345 176.367 174.900 0.203 0.000 1.138 224 G CA 0.097 45.478 45.100 0.468 0.000 0.794 224 G HN 0.495 nan 8.290 nan 0.000 0.535 225 N N 1.191 119.991 118.700 0.166 0.000 2.244 225 N HA -0.090 4.650 4.740 -0.001 0.000 0.183 225 N C 2.347 177.767 175.510 -0.149 0.000 1.016 225 N CA 1.047 54.123 53.050 0.043 0.000 0.866 225 N CB -0.275 38.249 38.487 0.062 0.000 0.980 225 N HN 0.632 nan 8.380 nan 0.000 0.430 226 I N -1.866 118.574 120.570 -0.216 0.000 2.567 226 I HA -0.142 4.028 4.170 -0.001 0.000 0.257 226 I C 1.563 177.637 176.117 -0.072 0.000 1.184 226 I CA 1.112 62.273 61.300 -0.232 0.000 1.451 226 I CB -0.818 37.044 38.000 -0.229 0.000 1.089 226 I HN -0.139 nan 8.210 nan 0.000 0.441 227 T N 1.371 115.935 114.554 0.015 0.000 2.788 227 T HA -0.139 4.211 4.350 -0.001 0.000 0.268 227 T C 1.313 176.021 174.700 0.013 0.000 1.044 227 T CA 2.052 64.185 62.100 0.055 0.000 1.139 227 T CB -0.292 68.651 68.868 0.124 0.000 0.867 227 T HN 0.482 nan 8.240 nan 0.000 0.454 228 D N 0.125 120.515 120.400 -0.017 0.000 2.333 228 D HA 0.187 4.826 4.640 -0.001 0.000 0.208 228 D C 1.847 178.112 176.300 -0.058 0.000 0.984 228 D CA 0.311 54.288 54.000 -0.039 0.000 0.873 228 D CB 0.009 40.773 40.800 -0.060 0.000 0.935 228 D HN 0.419 nan 8.370 nan 0.000 0.521 229 I N -0.066 120.465 120.570 -0.064 0.000 2.385 229 I HA -0.042 4.128 4.170 -0.001 0.000 0.244 229 I C 1.145 177.239 176.117 -0.038 0.000 1.089 229 I CA -0.085 61.177 61.300 -0.063 0.000 1.410 229 I CB -0.186 37.775 38.000 -0.066 0.000 1.117 229 I HN -0.061 nan 8.210 nan 0.000 0.429 230 C N 5.450 124.730 119.300 -0.033 0.000 2.106 230 C HA -0.049 4.410 4.460 -0.001 0.000 0.402 230 C C -0.296 174.684 174.990 -0.018 0.000 1.548 230 C CA -1.000 58.007 59.018 -0.018 0.000 1.432 230 C CB -0.235 27.501 27.740 -0.005 0.000 2.584 230 C HN 0.304 nan 8.230 nan 0.000 0.604 231 P HA -0.035 nan 4.420 nan 0.000 0.226 231 P C 0.545 177.803 177.300 -0.070 0.000 1.153 231 P CA 1.536 64.598 63.100 -0.063 0.000 0.777 231 P CB -0.254 31.363 31.700 -0.139 0.000 0.794 232 V N -4.441 115.451 119.914 -0.037 0.000 3.271 232 V HA 0.851 4.971 4.120 -0.001 0.000 0.305 232 V C 0.815 176.938 176.094 0.048 0.000 1.303 232 V CA -0.449 61.860 62.300 0.016 0.000 1.038 232 V CB 0.383 32.243 31.823 0.062 0.000 1.197 232 V HN -0.124 nan 8.190 nan 0.000 0.478 233 G N -1.096 107.752 108.800 0.080 0.000 4.178 233 G HA2 0.560 4.520 3.960 -0.001 0.000 0.287 233 G HA3 0.560 4.520 3.960 -0.001 0.000 0.287 233 G C 0.557 175.497 174.900 0.067 0.000 1.293 233 G CA 0.582 45.730 45.100 0.080 0.000 1.393 233 G HN 1.235 nan 8.290 nan 0.000 0.623 234 A N 0.630 123.478 122.820 0.047 0.000 1.850 234 A HA 0.349 4.669 4.320 -0.001 0.000 0.212 234 A C 1.101 178.716 177.584 0.051 0.000 1.208 234 A CA 0.489 52.547 52.037 0.034 0.000 0.609 234 A CB -0.101 18.907 19.000 0.013 0.000 0.860 234 A HN 0.383 nan 8.150 nan 0.000 0.448 235 L N 1.533 122.786 121.223 0.049 0.000 2.272 235 L HA 0.438 4.777 4.340 -0.001 0.000 0.284 235 L C -1.130 175.790 176.870 0.084 0.000 1.045 235 L CA -0.108 54.772 54.840 0.067 0.000 0.842 235 L CB 0.685 42.774 42.059 0.050 0.000 1.224 235 L HN 0.272 nan 8.230 nan 0.000 0.430 236 L N 2.094 123.380 121.223 0.105 0.000 2.342 236 L HA 0.390 4.729 4.340 -0.001 0.000 0.271 236 L C 0.101 177.071 176.870 0.167 0.000 1.008 236 L CA -0.829 54.083 54.840 0.120 0.000 0.818 236 L CB 2.304 44.427 42.059 0.108 0.000 1.296 236 L HN 0.390 nan 8.230 nan 0.000 0.427 237 D N 2.282 122.803 120.400 0.201 0.000 2.356 237 D HA -0.034 4.605 4.640 -0.001 0.000 0.272 237 D C 0.741 177.197 176.300 0.260 0.000 1.337 237 D CA -0.029 54.159 54.000 0.315 0.000 0.970 237 D CB 0.985 41.944 40.800 0.265 0.000 1.092 237 D HN 0.292 nan 8.370 nan 0.000 0.516 238 L N 4.213 125.582 121.223 0.242 0.000 2.275 238 L HA -0.084 4.255 4.340 -0.001 0.000 0.215 238 L C 2.159 179.124 176.870 0.157 0.000 1.119 238 L CA 1.470 56.384 54.840 0.124 0.000 0.790 238 L CB -1.127 40.957 42.059 0.041 0.000 0.919 238 L HN 0.445 nan 8.230 nan 0.000 0.443 239 T N -1.003 113.747 114.554 0.328 0.000 2.897 239 T HA -0.064 4.285 4.350 -0.001 0.000 0.271 239 T C 1.132 176.005 174.700 0.289 0.000 1.084 239 T CA 1.180 63.504 62.100 0.372 0.000 1.123 239 T CB -0.114 69.159 68.868 0.674 0.000 0.865 239 T HN 0.481 nan 8.240 nan 0.000 0.496 240 A N 0.363 123.315 122.820 0.221 0.000 2.594 240 A HA 0.413 4.733 4.320 -0.001 0.000 0.292 240 A C 0.557 178.204 177.584 0.105 0.000 1.026 240 A CA -0.553 51.567 52.037 0.138 0.000 0.983 240 A CB 0.019 19.078 19.000 0.098 0.000 1.233 240 A HN 0.405 nan 8.150 nan 0.000 0.519 241 R N 0.150 120.698 120.500 0.079 0.000 2.623 241 R HA 0.203 4.542 4.340 -0.001 0.000 0.271 241 R C -0.678 175.718 176.300 0.160 0.000 1.043 241 R CA -0.082 56.043 56.100 0.043 0.000 1.083 241 R CB -0.095 30.108 30.300 -0.161 0.000 0.974 241 R HN 0.329 nan 8.270 nan 0.000 0.436 242 F N 2.680 122.626 119.950 -0.006 0.000 2.866 242 F HA -0.260 4.267 4.527 -0.001 0.000 0.254 242 F C 0.596 176.375 175.800 -0.036 0.000 1.009 242 F CA 0.615 58.600 58.000 -0.024 0.000 0.907 242 F CB -0.970 38.019 39.000 -0.019 0.000 0.859 242 F HN 0.765 nan 8.300 nan 0.000 0.842 243 R N -0.256 120.308 120.500 0.107 0.000 2.167 243 R HA 0.716 5.056 4.340 -0.001 0.000 0.195 243 R C 0.838 177.107 176.300 -0.052 0.000 1.027 243 R CA 1.076 57.189 56.100 0.021 0.000 1.114 243 R CB 0.366 30.668 30.300 0.003 0.000 1.075 243 R HN 0.338 nan 8.270 nan 0.000 0.538 244 A N 1.004 123.763 122.820 -0.101 0.000 2.586 244 A HA 0.615 4.934 4.320 -0.001 0.000 0.291 244 A C -1.230 176.176 177.584 -0.298 0.000 1.062 244 A CA -0.860 51.060 52.037 -0.194 0.000 0.666 244 A CB 1.192 20.079 19.000 -0.189 0.000 1.281 244 A HN -0.064 nan 8.150 nan 0.000 0.421 245 R N 1.338 121.525 120.500 -0.521 0.000 2.539 245 R HA 0.260 4.599 4.340 -0.001 0.000 0.275 245 R C 0.953 176.762 176.300 -0.819 0.000 1.077 245 R CA -0.568 55.032 56.100 -0.834 0.000 1.097 245 R CB 0.052 29.374 30.300 -1.630 0.000 1.018 245 R HN 0.843 nan 8.270 nan 0.000 0.483 246 N N 1.344 119.737 118.700 -0.512 0.000 2.184 246 N HA -0.217 4.522 4.740 -0.001 0.000 0.190 246 N C 1.497 176.944 175.510 -0.105 0.000 1.011 246 N CA 2.046 54.975 53.050 -0.202 0.000 0.867 246 N CB -0.086 38.393 38.487 -0.014 0.000 0.993 246 N HN 0.681 nan 8.380 nan 0.000 0.433 247 W N 1.557 122.854 121.300 -0.004 0.000 2.518 247 W HA 0.149 4.808 4.660 -0.001 0.000 0.273 247 W C 1.571 178.083 176.519 -0.011 0.000 1.247 247 W CA 0.042 57.383 57.345 -0.006 0.000 1.288 247 W CB -0.564 28.894 29.460 -0.004 0.000 1.107 247 W HN -0.080 nan 8.180 nan 0.000 0.586 248 E N 0.925 120.917 120.200 -0.347 0.000 2.204 248 E HA -0.080 4.269 4.350 -0.001 0.000 0.194 248 E C 1.065 177.601 176.600 -0.105 0.000 0.989 248 E CA 0.591 56.876 56.400 -0.192 0.000 0.824 248 E CB -0.242 29.252 29.700 -0.343 0.000 0.756 248 E HN 0.262 nan 8.360 nan 0.000 0.477 249 M N 1.735 121.261 119.600 -0.123 0.000 2.217 249 M HA 0.057 4.537 4.480 -0.001 0.000 0.352 249 M C 0.265 176.539 176.300 -0.043 0.000 1.376 249 M CA 0.419 55.667 55.300 -0.087 0.000 1.107 249 M CB 0.415 32.957 32.600 -0.097 0.000 1.723 249 M HN -0.047 nan 8.290 nan 0.000 0.461 250 E N 3.169 123.343 120.200 -0.044 0.000 2.289 250 E HA 0.136 4.486 4.350 -0.001 0.000 0.278 250 E C -1.013 175.561 176.600 -0.043 0.000 1.032 250 E CA -0.239 56.142 56.400 -0.030 0.000 0.854 250 E CB 0.821 30.502 29.700 -0.031 0.000 1.046 250 E HN 0.580 nan 8.360 nan 0.000 0.409 251 E N 3.009 123.192 120.200 -0.029 0.000 2.133 251 E HA 0.238 4.588 4.350 -0.001 0.000 0.274 251 E C -1.220 175.362 176.600 -0.030 0.000 0.930 251 E CA -0.523 55.856 56.400 -0.035 0.000 0.770 251 E CB 1.857 31.544 29.700 -0.021 0.000 1.104 251 E HN 0.339 nan 8.360 nan 0.000 0.403 252 T N 4.745 119.274 114.554 -0.041 0.000 2.874 252 T HA 0.277 4.626 4.350 -0.001 0.000 0.321 252 T C -2.386 172.307 174.700 -0.013 0.000 1.075 252 T CA -1.738 60.345 62.100 -0.028 0.000 0.966 252 T CB 0.644 69.487 68.868 -0.040 0.000 1.001 252 T HN 0.255 nan 8.240 nan 0.000 0.476 253 P HA 0.285 nan 4.420 nan 0.000 0.276 253 P C -0.158 177.164 177.300 0.037 0.000 1.243 253 P CA 0.182 63.293 63.100 0.017 0.000 0.768 253 P CB 1.324 33.034 31.700 0.016 0.000 0.856 254 T N 1.568 116.158 114.554 0.060 0.000 2.606 254 T HA 0.464 4.813 4.350 -0.001 0.000 0.280 254 T C -1.003 173.763 174.700 0.110 0.000 1.074 254 T CA -0.144 62.010 62.100 0.089 0.000 1.140 254 T CB 0.780 69.714 68.868 0.110 0.000 1.631 254 T HN 0.283 nan 8.240 nan 0.000 0.464 255 T N 0.738 115.381 114.554 0.148 0.000 2.907 255 T HA 0.539 4.888 4.350 -0.001 0.000 0.292 255 T C -0.920 173.908 174.700 0.214 0.000 1.043 255 T CA -0.418 61.764 62.100 0.135 0.000 1.003 255 T CB 1.230 70.151 68.868 0.088 0.000 1.084 255 T HN 0.787 nan 8.240 nan 0.000 0.483 256 C N 2.551 121.949 119.300 0.164 0.000 2.285 256 C HA 0.730 5.189 4.460 -0.001 0.000 0.335 256 C C 1.380 176.295 174.990 -0.124 0.000 1.267 256 C CA -0.386 58.736 59.018 0.174 0.000 1.762 256 C CB -1.366 26.485 27.740 0.184 0.000 2.365 256 C HN 1.002 nan 8.230 nan 0.000 0.527 257 A N 5.141 127.599 122.820 -0.602 0.000 2.387 257 A HA 0.256 4.575 4.320 -0.001 0.000 0.234 257 A C 1.509 178.693 177.584 -0.668 0.000 1.253 257 A CA 0.012 51.608 52.037 -0.736 0.000 0.894 257 A CB -0.238 18.197 19.000 -0.942 0.000 0.963 257 A HN 0.920 nan 8.150 nan 0.000 0.508 258 L N -0.068 120.857 121.223 -0.496 0.000 2.642 258 L HA -0.056 4.284 4.340 -0.001 0.000 0.236 258 L C 1.024 177.858 176.870 -0.059 0.000 1.169 258 L CA 0.576 55.307 54.840 -0.181 0.000 0.851 258 L CB -0.677 41.358 42.059 -0.040 0.000 0.968 258 L HN 0.830 nan 8.230 nan 0.000 0.453 259 C N -5.918 113.331 119.300 -0.085 0.000 3.233 259 C HA 0.291 4.751 4.460 -0.001 0.000 0.358 259 C C -2.060 172.902 174.990 -0.045 0.000 1.461 259 C CA -0.971 58.024 59.018 -0.038 0.000 1.180 259 C CB 0.614 28.330 27.740 -0.041 0.000 1.604 259 C HN -0.146 nan 8.230 nan 0.000 0.437 260 P HA -0.018 nan 4.420 nan 0.000 0.225 260 P C 1.741 179.032 177.300 -0.016 0.000 1.156 260 P CA 2.244 65.333 63.100 -0.019 0.000 0.787 260 P CB -0.098 31.600 31.700 -0.004 0.000 0.802 261 V N -2.821 117.088 119.914 -0.008 0.000 2.358 261 V HA 0.068 4.188 4.120 -0.001 0.000 0.246 261 V C 1.446 177.541 176.094 0.002 0.000 1.047 261 V CA 1.349 63.652 62.300 0.005 0.000 1.035 261 V CB -2.124 29.712 31.823 0.023 0.000 0.658 261 V HN 0.289 nan 8.190 nan 0.000 0.452 262 G N 0.262 109.057 108.800 -0.009 0.000 2.353 262 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.294 262 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.294 262 G C -0.058 174.853 174.900 0.020 0.000 1.077 262 G CA -0.068 45.028 45.100 -0.008 0.000 1.098 262 G HN 0.942 nan 8.290 nan 0.000 0.511 263 C N 0.562 119.883 119.300 0.034 0.000 2.637 263 C HA 0.606 5.066 4.460 -0.001 0.000 0.418 263 C C 1.693 176.715 174.990 0.054 0.000 1.319 263 C CA -0.033 59.013 59.018 0.046 0.000 1.949 263 C CB 0.384 28.161 27.740 0.062 0.000 2.639 263 C HN 1.134 nan 8.230 nan 0.000 0.594 264 G N 3.101 111.924 108.800 0.040 0.000 2.340 264 G HA2 0.454 4.414 3.960 -0.001 0.000 0.245 264 G HA3 0.454 4.414 3.960 -0.001 0.000 0.245 264 G C -0.331 174.595 174.900 0.044 0.000 1.294 264 G CA -0.101 45.024 45.100 0.041 0.000 0.896 264 G HN 0.895 nan 8.290 nan 0.000 0.522 265 I N -1.328 119.280 120.570 0.063 0.000 3.239 265 I HA 0.763 4.932 4.170 -0.001 0.000 0.314 265 I C -0.535 175.602 176.117 0.033 0.000 1.126 265 I CA -1.098 60.236 61.300 0.056 0.000 0.973 265 I CB 2.489 40.556 38.000 0.112 0.000 1.252 265 I HN 0.253 nan 8.210 nan 0.000 0.463 266 T N 2.139 116.694 114.554 0.002 0.000 2.812 266 T HA 0.688 5.037 4.350 -0.001 0.000 0.282 266 T C -0.503 174.159 174.700 -0.063 0.000 0.990 266 T CA -0.460 61.626 62.100 -0.023 0.000 0.960 266 T CB 1.507 70.356 68.868 -0.032 0.000 0.948 266 T HN 0.791 nan 8.240 nan 0.000 0.438 267 A N 3.403 126.174 122.820 -0.083 0.000 2.249 267 A HA 0.607 4.926 4.320 -0.001 0.000 0.314 267 A C -0.526 176.963 177.584 -0.157 0.000 1.290 267 A CA -0.759 51.177 52.037 -0.167 0.000 0.893 267 A CB 0.297 19.180 19.000 -0.194 0.000 1.165 267 A HN 0.697 nan 8.150 nan 0.000 0.530 268 D N 2.780 123.070 120.400 -0.184 0.000 2.274 268 D HA 0.513 5.152 4.640 -0.001 0.000 0.239 268 D C -0.185 176.012 176.300 -0.171 0.000 1.104 268 D CA 0.395 54.304 54.000 -0.151 0.000 0.840 268 D CB 1.602 42.321 40.800 -0.135 0.000 1.100 268 D HN 0.551 nan 8.370 nan 0.000 0.477 269 T N -0.332 114.142 114.554 -0.134 0.000 2.912 269 T HA 0.602 4.951 4.350 -0.001 0.000 0.299 269 T C -0.288 174.355 174.700 -0.095 0.000 1.052 269 T CA -1.130 60.894 62.100 -0.127 0.000 0.996 269 T CB 2.442 71.234 68.868 -0.127 0.000 1.070 269 T HN 0.304 nan 8.240 nan 0.000 0.465 270 R N 1.598 122.045 120.500 -0.088 0.000 2.507 270 R HA 0.501 4.841 4.340 -0.001 0.000 0.298 270 R C -0.792 175.473 176.300 -0.058 0.000 1.087 270 R CA -0.365 55.693 56.100 -0.069 0.000 0.917 270 R CB 0.659 30.914 30.300 -0.076 0.000 1.173 270 R HN 0.898 nan 8.270 nan 0.000 0.472 271 S N 2.566 118.238 115.700 -0.047 0.000 3.929 271 S HA -0.141 4.329 4.470 -0.001 0.000 0.351 271 S C 0.876 175.451 174.600 -0.042 0.000 1.021 271 S CA 1.120 59.297 58.200 -0.038 0.000 1.049 271 S CB -1.369 61.812 63.200 -0.031 0.000 0.872 271 S HN 1.270 nan 8.310 nan 0.000 0.479 272 G N 0.295 109.066 108.800 -0.050 0.000 2.304 272 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.252 272 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.252 272 G C -0.246 174.612 174.900 -0.070 0.000 1.014 272 G CA 0.711 45.779 45.100 -0.054 0.000 0.619 272 G HN 1.042 nan 8.290 nan 0.000 0.525 273 E N 0.757 120.914 120.200 -0.072 0.000 2.242 273 E HA 0.673 5.022 4.350 -0.001 0.000 0.275 273 E C -0.431 176.095 176.600 -0.124 0.000 1.002 273 E CA -1.243 55.106 56.400 -0.084 0.000 0.841 273 E CB 2.009 31.674 29.700 -0.059 0.000 1.109 273 E HN 0.122 nan 8.360 nan 0.000 0.394 274 L N 4.022 125.150 121.223 -0.160 0.000 2.283 274 L HA 0.059 4.398 4.340 -0.001 0.000 0.287 274 L C 0.131 176.834 176.870 -0.279 0.000 1.073 274 L CA -0.245 54.443 54.840 -0.255 0.000 0.822 274 L CB 0.581 42.439 42.059 -0.335 0.000 1.186 274 L HN 0.760 nan 8.230 nan 0.000 0.436 275 L N 4.466 125.523 121.223 -0.277 0.000 2.130 275 L HA 0.260 4.600 4.340 -0.001 0.000 0.200 275 L C 0.960 177.635 176.870 -0.326 0.000 1.075 275 L CA 1.010 55.715 54.840 -0.224 0.000 0.768 275 L CB -0.674 41.294 42.059 -0.152 0.000 0.933 275 L HN 0.719 nan 8.230 nan 0.000 0.451 276 R N -0.664 119.600 120.500 -0.392 0.000 2.604 276 R HA 0.347 4.687 4.340 -0.001 0.000 0.261 276 R C -1.826 174.288 176.300 -0.310 0.000 1.080 276 R CA -0.591 55.308 56.100 -0.335 0.000 0.917 276 R CB 1.725 31.949 30.300 -0.127 0.000 1.252 276 R HN -0.145 nan 8.270 nan 0.000 0.456 277 I N 3.881 124.310 120.570 -0.235 0.000 2.437 277 I HA 0.534 4.704 4.170 -0.001 0.000 0.298 277 I C 0.247 176.287 176.117 -0.128 0.000 0.984 277 I CA -0.583 60.621 61.300 -0.160 0.000 1.214 277 I CB 1.637 39.588 38.000 -0.082 0.000 1.365 277 I HN 0.689 nan 8.210 nan 0.000 0.469 278 R N 3.244 123.688 120.500 -0.093 0.000 2.869 278 R HA 0.825 5.165 4.340 -0.001 0.000 0.263 278 R C -0.958 175.313 176.300 -0.048 0.000 1.066 278 R CA -1.038 55.016 56.100 -0.076 0.000 0.960 278 R CB 1.715 31.975 30.300 -0.066 0.000 1.221 278 R HN 0.626 nan 8.270 nan 0.000 0.474 279 A N 1.178 123.970 122.820 -0.048 0.000 2.301 279 A HA 0.472 4.792 4.320 -0.001 0.000 0.312 279 A C -0.448 177.105 177.584 -0.052 0.000 1.182 279 A CA -0.475 51.539 52.037 -0.039 0.000 0.826 279 A CB 0.674 19.644 19.000 -0.050 0.000 1.134 279 A HN 0.621 nan 8.150 nan 0.000 0.501 280 R N 1.883 122.362 120.500 -0.034 0.000 2.295 280 R HA 0.278 4.618 4.340 -0.001 0.000 0.324 280 R C -0.155 176.116 176.300 -0.049 0.000 0.968 280 R CA -0.371 55.708 56.100 -0.034 0.000 0.837 280 R CB 0.779 31.075 30.300 -0.007 0.000 1.133 280 R HN 0.921 nan 8.270 nan 0.000 0.450 281 E N 2.961 123.120 120.200 -0.068 0.000 2.452 281 E HA 0.025 4.374 4.350 -0.001 0.000 0.261 281 E C -1.122 175.456 176.600 -0.037 0.000 0.987 281 E CA 0.132 56.486 56.400 -0.076 0.000 0.926 281 E CB 0.928 30.584 29.700 -0.074 0.000 0.934 281 E HN 0.348 nan 8.360 nan 0.000 0.452 282 V N 6.944 126.838 119.914 -0.033 0.000 3.333 282 V HA 0.182 4.302 4.120 -0.001 0.000 0.288 282 V C -2.247 173.845 176.094 -0.004 0.000 0.895 282 V CA -1.013 61.281 62.300 -0.009 0.000 1.226 282 V CB 1.431 33.253 31.823 -0.002 0.000 0.873 282 V HN 0.748 nan 8.190 nan 0.000 0.492 283 P HA -0.185 nan 4.420 nan 0.000 0.217 283 P C 1.273 178.586 177.300 0.023 0.000 1.148 283 P CA 1.714 64.831 63.100 0.028 0.000 0.828 283 P CB 0.344 32.080 31.700 0.060 0.000 0.783 284 E N -0.037 120.174 120.200 0.019 0.000 2.058 284 E HA -0.110 4.240 4.350 -0.001 0.000 0.194 284 E C 1.990 178.599 176.600 0.014 0.000 0.997 284 E CA 0.868 57.279 56.400 0.018 0.000 0.801 284 E CB -1.355 28.353 29.700 0.015 0.000 0.746 284 E HN 0.236 nan 8.360 nan 0.000 0.450 285 V N 2.309 122.229 119.914 0.011 0.000 5.409 285 V HA 0.025 4.144 4.120 -0.001 0.000 0.160 285 V C 0.299 176.401 176.094 0.013 0.000 1.399 285 V CA 0.217 62.525 62.300 0.012 0.000 1.277 285 V CB 0.154 31.985 31.823 0.014 0.000 1.731 285 V HN 0.335 nan 8.190 nan 0.000 0.376 286 N N 0.572 119.283 118.700 0.019 0.000 2.453 286 N HA 0.030 4.770 4.740 -0.001 0.000 0.253 286 N C 0.218 175.711 175.510 -0.027 0.000 1.252 286 N CA 0.278 53.345 53.050 0.029 0.000 0.917 286 N CB 1.680 40.200 38.487 0.054 0.000 1.117 286 N HN 0.656 nan 8.380 nan 0.000 0.442 287 E N 0.755 120.901 120.200 -0.090 0.000 2.033 287 E HA 0.130 4.479 4.350 -0.001 0.000 0.194 287 E C 0.879 177.296 176.600 -0.304 0.000 0.960 287 E CA 0.975 57.241 56.400 -0.224 0.000 0.842 287 E CB 0.054 29.453 29.700 -0.501 0.000 0.816 287 E HN 0.808 nan 8.360 nan 0.000 0.468 288 I N -3.092 117.078 120.570 -0.667 0.000 3.817 288 I HA 0.372 4.541 4.170 -0.001 0.000 0.322 288 I C -1.120 174.577 176.117 -0.699 0.000 1.512 288 I CA -0.601 60.306 61.300 -0.656 0.000 1.066 288 I CB 0.126 37.677 38.000 -0.749 0.000 1.336 288 I HN 0.011 nan 8.210 nan 0.000 0.539 289 W N 1.631 122.904 121.300 -0.045 0.000 2.573 289 W HA 0.736 5.396 4.660 -0.000 0.000 0.326 289 W C -0.369 176.158 176.519 0.013 0.000 1.049 289 W CA -1.001 56.331 57.345 -0.022 0.000 1.220 289 W CB 1.811 31.260 29.460 -0.018 0.000 1.373 289 W HN -0.192 nan 8.180 nan 0.000 0.507 290 I N 3.013 123.761 120.570 0.296 0.000 2.797 290 I HA 0.336 4.505 4.170 -0.001 0.000 0.307 290 I C 0.354 176.620 176.117 0.248 0.000 1.033 290 I CA -1.457 59.956 61.300 0.188 0.000 1.071 290 I CB 1.276 39.325 38.000 0.082 0.000 1.255 290 I HN 0.656 nan 8.210 nan 0.000 0.445 291 C N 2.302 121.703 119.300 0.169 0.000 2.351 291 C HA 0.458 4.917 4.460 -0.001 0.000 0.359 291 C C 1.503 176.425 174.990 -0.113 0.000 1.193 291 C CA -0.478 58.593 59.018 0.088 0.000 2.270 291 C CB 1.326 29.060 27.740 -0.009 0.000 2.369 291 C HN 0.813 nan 8.230 nan 0.000 0.553 292 D N 1.334 121.597 120.400 -0.228 0.000 2.149 292 D HA -0.087 4.553 4.640 -0.001 0.000 0.198 292 D C 2.248 178.238 176.300 -0.516 0.000 0.990 292 D CA 2.157 56.057 54.000 -0.166 0.000 0.839 292 D CB -0.355 40.383 40.800 -0.103 0.000 0.948 292 D HN 0.844 nan 8.370 nan 0.000 0.460 293 A N 0.741 122.920 122.820 -1.069 0.000 1.898 293 A HA 0.019 4.338 4.320 -0.001 0.000 0.216 293 A C 2.402 179.794 177.584 -0.320 0.000 1.181 293 A CA 1.840 53.143 52.037 -1.224 0.000 0.620 293 A CB -1.008 17.289 19.000 -1.171 0.000 0.819 293 A HN 0.290 nan 8.150 nan 0.000 0.442 294 G N -0.602 108.073 108.800 -0.209 0.000 2.485 294 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.221 294 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.221 294 G C 1.690 176.628 174.900 0.063 0.000 1.115 294 G CA 1.219 46.320 45.100 0.002 0.000 0.751 294 G HN 0.584 nan 8.290 nan 0.000 0.567 295 R N -1.488 118.973 120.500 -0.064 0.000 2.342 295 R HA 0.260 4.600 4.340 -0.001 0.000 0.204 295 R C 1.020 177.190 176.300 -0.217 0.000 0.882 295 R CA 0.015 56.006 56.100 -0.182 0.000 1.041 295 R CB 0.187 30.233 30.300 -0.423 0.000 1.188 295 R HN 0.302 nan 8.270 nan 0.000 0.598 296 F N 0.022 120.028 119.950 0.095 0.000 2.682 296 F HA 0.424 4.951 4.527 -0.001 0.000 0.308 296 F C 1.084 176.953 175.800 0.114 0.000 1.093 296 F CA -0.050 58.001 58.000 0.084 0.000 1.244 296 F CB 1.345 40.256 39.000 -0.148 0.000 1.052 296 F HN 0.034 nan 8.300 nan 0.000 0.573 297 G N -0.315 108.742 108.800 0.428 0.000 3.727 297 G HA2 0.320 4.280 3.960 -0.001 0.000 0.301 297 G HA3 0.320 4.280 3.960 -0.001 0.000 0.301 297 G C 0.013 175.231 174.900 0.529 0.000 1.128 297 G CA -0.116 45.298 45.100 0.525 0.000 1.545 297 G HN 0.521 nan 8.290 nan 0.000 0.555 298 H N -2.380 116.907 119.070 0.361 0.000 3.622 298 H HA 0.231 4.787 4.556 -0.001 0.000 0.259 298 H C 1.513 176.800 175.328 -0.068 0.000 1.145 298 H CA 0.014 56.089 56.048 0.045 0.000 1.178 298 H CB 0.147 29.846 29.762 -0.105 0.000 1.542 298 H HN 0.211 nan 8.280 nan 0.000 0.586 299 E N 1.663 121.897 120.200 0.056 0.000 2.164 299 E HA -0.217 4.133 4.350 -0.001 0.000 0.206 299 E C 1.324 178.037 176.600 0.190 0.000 1.032 299 E CA 1.928 58.421 56.400 0.155 0.000 0.832 299 E CB -0.334 29.454 29.700 0.147 0.000 0.742 299 E HN 0.867 nan 8.360 nan 0.000 0.460 300 W N -0.370 121.046 121.300 0.193 0.000 2.737 300 W HA 0.417 5.076 4.660 -0.000 0.000 0.262 300 W C 1.611 178.340 176.519 0.351 0.000 1.282 300 W CA 0.585 58.067 57.345 0.228 0.000 1.386 300 W CB -0.511 29.058 29.460 0.182 0.000 1.099 300 W HN -0.028 nan 8.180 nan 0.000 0.621 301 A N 1.848 124.106 122.820 -0.937 0.000 2.208 301 A HA -0.113 4.207 4.320 -0.001 0.000 0.209 301 A C 1.582 179.000 177.584 -0.276 0.000 1.161 301 A CA 1.566 53.101 52.037 -0.837 0.000 0.782 301 A CB -0.669 17.680 19.000 -1.086 0.000 0.816 301 A HN 0.386 nan 8.150 nan 0.000 0.477 302 D N -2.508 117.802 120.400 -0.151 0.000 2.500 302 D HA 0.052 4.691 4.640 -0.001 0.000 0.217 302 D C 1.363 177.656 176.300 -0.011 0.000 1.159 302 D CA 0.225 54.175 54.000 -0.083 0.000 0.828 302 D CB -0.006 40.737 40.800 -0.095 0.000 1.039 302 D HN 0.204 nan 8.370 nan 0.000 0.512 303 Q N 0.658 120.489 119.800 0.052 0.000 2.225 303 Q HA 0.236 4.576 4.340 -0.001 0.000 0.193 303 Q C -0.233 175.819 176.000 0.087 0.000 0.990 303 Q CA 0.991 56.844 55.803 0.085 0.000 0.841 303 Q CB 0.108 28.926 28.738 0.133 0.000 0.941 303 Q HN 0.013 nan 8.270 nan 0.000 0.516 304 N N 0.842 119.634 118.700 0.154 0.000 2.443 304 N HA 0.393 5.133 4.740 -0.001 0.000 0.269 304 N C -1.419 174.112 175.510 0.034 0.000 0.985 304 N CA -0.207 52.916 53.050 0.122 0.000 0.921 304 N CB 1.527 40.116 38.487 0.170 0.000 1.195 304 N HN 0.106 nan 8.380 nan 0.000 0.492 305 R N 1.647 122.107 120.500 -0.067 0.000 2.643 305 R HA 0.339 4.678 4.340 -0.001 0.000 0.269 305 R C -1.368 174.882 176.300 -0.084 0.000 1.037 305 R CA -0.860 55.108 56.100 -0.221 0.000 0.894 305 R CB 1.630 31.740 30.300 -0.317 0.000 1.238 305 R HN 0.422 nan 8.270 nan 0.000 0.459 306 L N 3.676 124.858 121.223 -0.068 0.000 2.369 306 L HA 0.307 4.647 4.340 -0.001 0.000 0.279 306 L C -0.006 176.874 176.870 0.017 0.000 1.108 306 L CA 0.735 55.577 54.840 0.003 0.000 0.852 306 L CB 0.682 42.763 42.059 0.037 0.000 1.169 306 L HN 0.678 nan 8.230 nan 0.000 0.452 307 K N 2.623 123.043 120.400 0.032 0.000 2.360 307 K HA 0.188 4.508 4.320 -0.001 0.000 0.196 307 K C 0.142 176.796 176.600 0.091 0.000 1.049 307 K CA 0.639 56.958 56.287 0.053 0.000 1.049 307 K CB 0.395 32.918 32.500 0.038 0.000 0.881 307 K HN 0.819 nan 8.250 nan 0.000 0.542 308 T N -0.617 113.980 114.554 0.071 0.000 2.901 308 T HA 0.392 4.742 4.350 -0.001 0.000 0.293 308 T C -3.080 171.615 174.700 -0.008 0.000 1.084 308 T CA -2.489 59.650 62.100 0.066 0.000 1.008 308 T CB 2.331 71.224 68.868 0.041 0.000 1.170 308 T HN -0.265 nan 8.240 nan 0.000 0.509 309 P HA 0.335 nan 4.420 nan 0.000 0.276 309 P C -0.659 176.551 177.300 -0.149 0.000 1.235 309 P CA -0.416 62.514 63.100 -0.284 0.000 0.772 309 P CB 0.645 31.907 31.700 -0.729 0.000 0.871 310 L N 3.309 124.479 121.223 -0.089 0.000 2.344 310 L HA 0.680 5.019 4.340 -0.001 0.000 0.272 310 L C 0.412 177.266 176.870 -0.027 0.000 1.035 310 L CA -0.943 53.874 54.840 -0.038 0.000 0.807 310 L CB 1.977 44.033 42.059 -0.005 0.000 1.237 310 L HN 0.176 nan 8.230 nan 0.000 0.442 311 V N 2.595 122.509 119.914 0.000 0.000 3.049 311 V HA 0.451 4.571 4.120 -0.001 0.000 0.309 311 V C -0.795 175.328 176.094 0.047 0.000 1.148 311 V CA -0.737 61.582 62.300 0.031 0.000 0.990 311 V CB 2.646 34.488 31.823 0.031 0.000 1.039 311 V HN 0.825 nan 8.190 nan 0.000 0.430 312 R N 3.535 124.082 120.500 0.079 0.000 2.308 312 R HA 0.452 4.792 4.340 -0.001 0.000 0.305 312 R C -0.081 176.258 176.300 0.064 0.000 1.053 312 R CA -0.170 55.978 56.100 0.080 0.000 0.957 312 R CB 1.293 31.669 30.300 0.127 0.000 1.022 312 R HN 0.790 nan 8.270 nan 0.000 0.461 313 K N 1.332 121.759 120.400 0.046 0.000 2.758 313 K HA 0.200 4.520 4.320 -0.001 0.000 0.247 313 K C -0.332 176.286 176.600 0.030 0.000 1.155 313 K CA 0.401 56.708 56.287 0.033 0.000 1.011 313 K CB 0.542 33.057 32.500 0.025 0.000 1.633 313 K HN 0.426 nan 8.250 nan 0.000 0.438 314 E N 1.020 121.235 120.200 0.025 0.000 2.282 314 E HA 0.235 4.584 4.350 -0.001 0.000 0.247 314 E C -0.108 176.504 176.600 0.021 0.000 1.113 314 E CA 0.183 56.595 56.400 0.020 0.000 1.095 314 E CB 0.367 30.076 29.700 0.015 0.000 1.328 314 E HN 0.714 nan 8.360 nan 0.000 0.463 315 G N 3.163 111.978 108.800 0.026 0.000 2.175 315 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.265 315 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.265 315 G C 0.423 175.338 174.900 0.025 0.000 0.979 315 G CA 1.199 46.313 45.100 0.024 0.000 0.663 315 G HN 0.483 nan 8.290 nan 0.000 0.533 316 R N -1.475 119.043 120.500 0.030 0.000 2.817 316 R HA 0.823 5.163 4.340 -0.001 0.000 0.268 316 R C -0.700 175.621 176.300 0.034 0.000 1.027 316 R CA -1.314 54.804 56.100 0.029 0.000 0.928 316 R CB 0.976 31.290 30.300 0.024 0.000 1.228 316 R HN 0.054 nan 8.270 nan 0.000 0.469 317 L N 1.167 122.409 121.223 0.031 0.000 2.360 317 L HA 0.682 5.022 4.340 -0.001 0.000 0.271 317 L C 0.013 176.898 176.870 0.024 0.000 1.057 317 L CA -0.941 53.917 54.840 0.030 0.000 0.803 317 L CB 1.218 43.294 42.059 0.028 0.000 1.207 317 L HN 0.539 nan 8.230 nan 0.000 0.445 318 V N -0.299 119.628 119.914 0.021 0.000 3.159 318 V HA 0.332 4.451 4.120 -0.001 0.000 0.308 318 V C -0.241 175.859 176.094 0.010 0.000 1.190 318 V CA -1.135 61.175 62.300 0.017 0.000 1.037 318 V CB 2.319 34.153 31.823 0.018 0.000 1.060 318 V HN 0.693 nan 8.190 nan 0.000 0.437 319 E N 1.356 121.563 120.200 0.011 0.000 2.465 319 E HA 0.425 4.774 4.350 -0.001 0.000 0.260 319 E C -0.161 176.440 176.600 0.003 0.000 0.980 319 E CA 0.351 56.755 56.400 0.006 0.000 0.927 319 E CB 0.794 30.504 29.700 0.016 0.000 0.934 319 E HN 0.873 nan 8.360 nan 0.000 0.459 320 A N 3.206 126.017 122.820 -0.014 0.000 2.520 320 A HA 0.426 4.746 4.320 -0.001 0.000 0.298 320 A C -0.148 177.421 177.584 -0.025 0.000 1.051 320 A CA -0.858 51.171 52.037 -0.013 0.000 0.690 320 A CB 1.492 20.479 19.000 -0.020 0.000 1.281 320 A HN 0.493 nan 8.150 nan 0.000 0.402 321 T N 0.617 115.187 114.554 0.027 0.000 2.734 321 T HA 0.060 4.410 4.350 -0.001 0.000 0.314 321 T C 0.801 175.541 174.700 0.066 0.000 1.057 321 T CA 0.608 62.757 62.100 0.083 0.000 1.047 321 T CB 0.192 69.132 68.868 0.120 0.000 0.991 321 T HN 0.657 nan 8.240 nan 0.000 0.540 322 W N 0.330 121.675 121.300 0.074 0.000 2.525 322 W HA -0.021 4.639 4.660 -0.000 0.000 0.259 322 W C 2.238 178.829 176.519 0.121 0.000 1.253 322 W CA 0.261 57.659 57.345 0.088 0.000 1.262 322 W CB -0.110 29.383 29.460 0.056 0.000 1.122 322 W HN 0.688 nan 8.180 nan 0.000 0.607 323 E N 0.201 120.571 120.200 0.283 0.000 2.033 323 E HA -0.138 4.211 4.350 -0.001 0.000 0.189 323 E C 1.756 178.470 176.600 0.189 0.000 0.979 323 E CA 1.241 57.784 56.400 0.238 0.000 0.802 323 E CB -0.675 29.126 29.700 0.169 0.000 0.763 323 E HN 0.454 nan 8.360 nan 0.000 0.449 324 E N 0.925 121.196 120.200 0.118 0.000 2.265 324 E HA -0.095 4.254 4.350 -0.001 0.000 0.196 324 E C 1.724 178.358 176.600 0.056 0.000 0.996 324 E CA 0.892 57.333 56.400 0.068 0.000 0.832 324 E CB -0.002 29.724 29.700 0.043 0.000 0.756 324 E HN 0.152 nan 8.360 nan 0.000 0.491 325 A N 0.407 123.265 122.820 0.064 0.000 2.095 325 A HA 0.012 4.332 4.320 -0.001 0.000 0.212 325 A C 1.701 179.373 177.584 0.146 0.000 1.162 325 A CA -0.054 52.003 52.037 0.033 0.000 0.753 325 A CB -0.212 18.708 19.000 -0.132 0.000 0.840 325 A HN 0.272 nan 8.150 nan 0.000 0.468 326 F N 0.796 120.787 119.950 0.069 0.000 2.293 326 F HA 0.050 4.576 4.527 -0.001 0.000 0.297 326 F C 1.648 177.484 175.800 0.060 0.000 1.089 326 F CA 0.922 58.980 58.000 0.096 0.000 1.377 326 F CB -0.267 38.812 39.000 0.132 0.000 1.051 326 F HN 0.124 nan 8.300 nan 0.000 0.511 327 L N 0.016 121.166 121.223 -0.122 0.000 2.007 327 L HA -0.101 4.239 4.340 -0.001 0.000 0.205 327 L C 2.788 179.560 176.870 -0.163 0.000 1.073 327 L CA 1.217 55.917 54.840 -0.232 0.000 0.744 327 L CB -1.411 40.588 42.059 -0.100 0.000 0.898 327 L HN 0.125 nan 8.230 nan 0.000 0.435 328 A N -0.218 122.570 122.820 -0.054 0.000 2.084 328 A HA -0.233 4.087 4.320 -0.001 0.000 0.221 328 A C 2.186 179.782 177.584 0.020 0.000 1.161 328 A CA 1.754 53.784 52.037 -0.012 0.000 0.653 328 A CB -0.605 18.421 19.000 0.043 0.000 0.802 328 A HN 0.396 nan 8.150 nan 0.000 0.457 329 L N -1.394 119.843 121.223 0.023 0.000 2.307 329 L HA 0.122 4.461 4.340 -0.001 0.000 0.211 329 L C 2.075 178.883 176.870 -0.104 0.000 1.099 329 L CA 1.460 56.362 54.840 0.104 0.000 0.816 329 L CB -0.166 42.010 42.059 0.195 0.000 0.952 329 L HN 0.221 nan 8.230 nan 0.000 0.455 330 K N -0.532 119.717 120.400 -0.251 0.000 2.211 330 K HA -0.188 4.132 4.320 -0.001 0.000 0.203 330 K C 1.865 178.293 176.600 -0.286 0.000 1.050 330 K CA 1.179 57.283 56.287 -0.305 0.000 0.945 330 K CB 0.126 32.377 32.500 -0.416 0.000 0.732 330 K HN 0.267 nan 8.250 nan 0.000 0.451 331 E N 0.450 120.483 120.200 -0.278 0.000 2.006 331 E HA -0.105 4.245 4.350 -0.001 0.000 0.192 331 E C 1.865 178.199 176.600 -0.444 0.000 0.993 331 E CA 1.783 58.013 56.400 -0.285 0.000 0.808 331 E CB -0.678 28.898 29.700 -0.205 0.000 0.764 331 E HN 0.222 nan 8.360 nan 0.000 0.449 332 G N -0.077 108.288 108.800 -0.725 0.000 2.527 332 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.219 332 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.219 332 G C 1.226 175.432 174.900 -1.156 0.000 1.117 332 G CA 1.033 45.327 45.100 -1.345 0.000 0.759 332 G HN 0.318 nan 8.290 nan 0.000 0.556 333 L N -1.133 119.636 121.223 -0.756 0.000 2.920 333 L HA 0.291 4.631 4.340 -0.001 0.000 0.257 333 L C 2.248 178.865 176.870 -0.421 0.000 1.150 333 L CA -0.032 54.458 54.840 -0.584 0.000 0.959 333 L CB 0.249 42.117 42.059 -0.318 0.000 1.321 333 L HN 0.094 nan 8.230 nan 0.000 0.555 334 K N 1.187 121.382 120.400 -0.341 0.000 2.147 334 K HA -0.116 4.203 4.320 -0.001 0.000 0.205 334 K C 0.555 177.027 176.600 -0.215 0.000 1.049 334 K CA 1.115 57.263 56.287 -0.232 0.000 0.936 334 K CB 0.307 32.692 32.500 -0.192 0.000 0.722 334 K HN 0.169 nan 8.250 nan 0.000 0.446 335 E N 0.870 120.911 120.200 -0.265 0.000 2.368 335 E HA 0.178 4.528 4.350 -0.001 0.000 0.283 335 E C -1.084 175.372 176.600 -0.240 0.000 1.476 335 E CA -0.069 56.222 56.400 -0.182 0.000 1.786 335 E CB 0.858 30.491 29.700 -0.113 0.000 1.518 335 E HN 0.301 nan 8.360 nan 0.000 0.456 336 A N 2.071 124.730 122.820 -0.269 0.000 2.427 336 A HA 0.532 4.852 4.320 -0.001 0.000 0.298 336 A C -0.352 177.206 177.584 -0.044 0.000 1.036 336 A CA -1.072 50.817 52.037 -0.246 0.000 0.701 336 A CB 1.435 19.997 19.000 -0.730 0.000 1.250 336 A HN 0.196 nan 8.150 nan 0.000 0.412 337 R N 1.745 122.296 120.500 0.084 0.000 2.410 337 R HA 0.435 4.774 4.340 -0.001 0.000 0.288 337 R C 0.795 177.145 176.300 0.084 0.000 1.051 337 R CA -0.289 55.853 56.100 0.069 0.000 1.021 337 R CB 0.063 30.410 30.300 0.079 0.000 1.032 337 R HN 0.919 nan 8.270 nan 0.000 0.481 338 G N 0.832 109.662 108.800 0.050 0.000 2.653 338 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.212 338 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.212 338 G C 0.788 175.723 174.900 0.058 0.000 1.138 338 G CA 0.104 45.233 45.100 0.049 0.000 0.782 338 G HN 0.720 nan 8.290 nan 0.000 0.535 339 E N 0.162 120.403 120.200 0.068 0.000 2.498 339 E HA 0.032 4.381 4.350 -0.001 0.000 0.203 339 E C 0.997 177.658 176.600 0.101 0.000 1.013 339 E CA -0.026 56.400 56.400 0.042 0.000 0.927 339 E CB 0.264 29.977 29.700 0.021 0.000 1.012 339 E HN 0.289 nan 8.360 nan 0.000 0.482 340 E N 0.512 120.824 120.200 0.187 0.000 2.444 340 E HA 0.108 4.458 4.350 -0.001 0.000 0.191 340 E C 0.038 176.836 176.600 0.331 0.000 1.041 340 E CA -0.077 56.491 56.400 0.280 0.000 0.883 340 E CB 0.999 30.863 29.700 0.273 0.000 1.024 340 E HN -0.003 nan 8.360 nan 0.000 0.470 341 V N 0.593 120.669 119.914 0.269 0.000 2.509 341 V HA 0.523 4.642 4.120 -0.001 0.000 0.284 341 V C 0.725 176.920 176.094 0.169 0.000 1.047 341 V CA -0.694 61.732 62.300 0.210 0.000 0.952 341 V CB 1.598 33.501 31.823 0.133 0.000 0.988 341 V HN 0.107 nan 8.190 nan 0.000 0.469 342 G N 4.099 112.899 108.800 0.000 0.000 2.379 342 G HA2 0.687 4.646 3.960 -0.001 0.000 0.327 342 G HA3 0.687 4.646 3.960 -0.001 0.000 0.327 342 G C -1.055 173.559 174.900 -0.477 0.000 1.145 342 G CA -0.606 44.280 45.100 -0.357 0.000 0.905 342 G HN 0.616 nan 8.290 nan 0.000 0.466 343 L N 2.444 123.336 121.223 -0.552 0.000 2.401 343 L HA 0.358 4.697 4.340 -0.001 0.000 0.263 343 L C -1.250 175.560 176.870 -0.101 0.000 1.004 343 L CA -0.626 54.103 54.840 -0.185 0.000 0.881 343 L CB 1.031 43.098 42.059 0.013 0.000 1.219 343 L HN 0.553 nan 8.230 nan 0.000 0.441 344 Y N 3.649 124.046 120.300 0.162 0.000 2.326 344 Y HA 0.556 5.106 4.550 -0.001 0.000 0.331 344 Y C 0.082 176.214 175.900 0.387 0.000 0.962 344 Y CA -0.938 57.301 58.100 0.232 0.000 1.167 344 Y CB 1.709 40.198 38.460 0.047 0.000 1.148 344 Y HN 0.364 nan 8.280 nan 0.000 0.463 345 L N 2.425 124.025 121.223 0.628 0.000 2.376 345 L HA 0.855 5.195 4.340 -0.001 0.000 0.267 345 L C 0.429 177.558 176.870 0.432 0.000 1.035 345 L CA -1.167 53.983 54.840 0.515 0.000 0.800 345 L CB 0.972 43.250 42.059 0.365 0.000 1.290 345 L HN 0.653 nan 8.230 nan 0.000 0.462 346 A N -1.077 121.913 122.820 0.284 0.000 2.246 346 A HA 0.259 4.578 4.320 -0.001 0.000 0.291 346 A C 0.815 178.395 177.584 -0.006 0.000 1.103 346 A CA 0.078 52.143 52.037 0.048 0.000 0.844 346 A CB 0.021 19.104 19.000 0.138 0.000 1.136 346 A HN 0.993 nan 8.150 nan 0.000 0.500 347 H N -1.531 117.417 119.070 -0.203 0.000 2.457 347 H HA -0.015 4.541 4.556 -0.001 0.000 0.294 347 H C 0.288 175.534 175.328 -0.137 0.000 1.064 347 H CA 1.389 57.347 56.048 -0.150 0.000 1.330 347 H CB -0.134 29.501 29.762 -0.213 0.000 1.395 347 H HN 0.604 nan 8.280 nan 0.000 0.541 348 D N 0.773 120.747 120.400 -0.711 0.000 2.491 348 D HA 0.283 4.922 4.640 -0.001 0.000 0.228 348 D C 0.314 176.466 176.300 -0.246 0.000 1.183 348 D CA -0.206 53.437 54.000 -0.596 0.000 0.827 348 D CB 0.034 40.389 40.800 -0.740 0.000 0.989 348 D HN 0.591 nan 8.370 nan 0.000 0.494 349 A N 0.687 123.416 122.820 -0.153 0.000 2.407 349 A HA 0.487 4.807 4.320 -0.001 0.000 0.248 349 A C 0.962 178.497 177.584 -0.081 0.000 1.082 349 A CA -0.231 51.774 52.037 -0.054 0.000 0.785 349 A CB 0.098 19.102 19.000 0.006 0.000 1.020 349 A HN 0.394 nan 8.150 nan 0.000 0.489 350 T N -0.003 114.525 114.554 -0.044 0.000 2.868 350 T HA 0.263 4.612 4.350 -0.001 0.000 0.292 350 T C 0.973 175.631 174.700 -0.070 0.000 1.028 350 T CA -0.259 61.811 62.100 -0.050 0.000 1.059 350 T CB 0.433 69.280 68.868 -0.034 0.000 0.991 350 T HN 0.537 nan 8.240 nan 0.000 0.531 351 L N 0.923 122.114 121.223 -0.054 0.000 2.265 351 L HA 0.062 4.402 4.340 -0.001 0.000 0.215 351 L C 2.272 179.087 176.870 -0.091 0.000 1.117 351 L CA 1.718 56.522 54.840 -0.060 0.000 0.782 351 L CB -0.883 41.178 42.059 0.004 0.000 0.914 351 L HN 0.809 nan 8.230 nan 0.000 0.441 352 E N -0.889 119.251 120.200 -0.100 0.000 2.102 352 E HA -0.084 4.265 4.350 -0.001 0.000 0.190 352 E C 1.997 178.443 176.600 -0.257 0.000 0.971 352 E CA 0.787 57.083 56.400 -0.174 0.000 0.821 352 E CB -0.109 29.531 29.700 -0.099 0.000 0.777 352 E HN 0.466 nan 8.360 nan 0.000 0.460 353 E N 0.117 120.228 120.200 -0.148 0.000 2.265 353 E HA -0.094 4.256 4.350 -0.001 0.000 0.196 353 E C 1.844 178.377 176.600 -0.112 0.000 0.996 353 E CA 0.915 57.248 56.400 -0.113 0.000 0.832 353 E CB -0.062 29.630 29.700 -0.014 0.000 0.756 353 E HN 0.337 nan 8.360 nan 0.000 0.491 354 G N 0.542 109.269 108.800 -0.121 0.000 2.662 354 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.212 354 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.212 354 G C 1.421 176.249 174.900 -0.120 0.000 1.141 354 G CA -0.127 44.918 45.100 -0.091 0.000 0.797 354 G HN 0.101 nan 8.290 nan 0.000 0.531 355 L N 0.434 121.532 121.223 -0.209 0.000 2.095 355 L HA 0.254 4.593 4.340 -0.001 0.000 0.204 355 L C 2.409 179.106 176.870 -0.287 0.000 1.080 355 L CA 1.205 55.916 54.840 -0.216 0.000 0.759 355 L CB -0.579 41.340 42.059 -0.234 0.000 0.914 355 L HN 0.158 nan 8.230 nan 0.000 0.439 356 L N 0.366 121.230 121.223 -0.599 0.000 2.017 356 L HA -0.045 4.294 4.340 -0.001 0.000 0.208 356 L C 2.473 179.278 176.870 -0.108 0.000 1.073 356 L CA 2.202 56.764 54.840 -0.462 0.000 0.745 356 L CB -1.254 40.486 42.059 -0.532 0.000 0.894 356 L HN 0.250 nan 8.230 nan 0.000 0.432 357 A N -1.454 121.302 122.820 -0.106 0.000 2.019 357 A HA -0.214 4.106 4.320 -0.001 0.000 0.219 357 A C 2.530 180.126 177.584 0.021 0.000 1.164 357 A CA 1.843 53.866 52.037 -0.022 0.000 0.644 357 A CB -1.033 17.979 19.000 0.020 0.000 0.805 357 A HN 0.599 nan 8.150 nan 0.000 0.449 358 S N -0.783 114.926 115.700 0.014 0.000 2.371 358 S HA -0.128 4.342 4.470 -0.001 0.000 0.224 358 S C 1.873 176.508 174.600 0.060 0.000 1.029 358 S CA 1.429 59.656 58.200 0.045 0.000 0.978 358 S CB -0.278 62.943 63.200 0.034 0.000 0.833 358 S HN 0.544 nan 8.310 nan 0.000 0.466 359 E N 1.117 121.364 120.200 0.079 0.000 2.076 359 E HA -0.013 4.336 4.350 -0.001 0.000 0.190 359 E C 2.091 178.742 176.600 0.085 0.000 0.979 359 E CA 0.654 57.120 56.400 0.110 0.000 0.807 359 E CB -0.786 29.039 29.700 0.209 0.000 0.761 359 E HN 0.506 nan 8.360 nan 0.000 0.454 360 L N 1.042 122.310 121.223 0.075 0.000 2.042 360 L HA -0.107 4.232 4.340 -0.001 0.000 0.210 360 L C 2.015 178.909 176.870 0.040 0.000 1.076 360 L CA 2.245 57.115 54.840 0.051 0.000 0.749 360 L CB -0.558 41.516 42.059 0.025 0.000 0.893 360 L HN 0.045 nan 8.230 nan 0.000 0.432 361 A N -1.513 121.332 122.820 0.041 0.000 2.178 361 A HA -0.044 4.276 4.320 -0.001 0.000 0.211 361 A C 2.319 179.925 177.584 0.038 0.000 1.157 361 A CA 0.998 53.058 52.037 0.038 0.000 0.780 361 A CB -0.383 18.645 19.000 0.047 0.000 0.828 361 A HN 0.503 nan 8.150 nan 0.000 0.476 362 K N -0.102 120.324 120.400 0.044 0.000 2.029 362 K HA 0.117 4.437 4.320 -0.001 0.000 0.205 362 K C 2.248 178.867 176.600 0.033 0.000 1.042 362 K CA 0.916 57.227 56.287 0.041 0.000 0.949 362 K CB -0.291 32.239 32.500 0.049 0.000 0.740 362 K HN 0.266 nan 8.250 nan 0.000 0.442 363 A N 1.592 124.433 122.820 0.035 0.000 1.851 363 A HA -0.152 4.168 4.320 -0.001 0.000 0.216 363 A C 1.428 179.027 177.584 0.024 0.000 1.195 363 A CA 1.221 53.275 52.037 0.028 0.000 0.622 363 A CB -0.746 18.271 19.000 0.029 0.000 0.831 363 A HN 0.408 nan 8.150 nan 0.000 0.444 364 L N 1.524 122.763 121.223 0.026 0.000 2.388 364 L HA 0.132 4.471 4.340 -0.001 0.000 0.252 364 L C -0.192 176.690 176.870 0.020 0.000 1.357 364 L CA -0.060 54.794 54.840 0.024 0.000 1.214 364 L CB -1.036 41.040 42.059 0.028 0.000 1.392 364 L HN 0.201 nan 8.230 nan 0.000 0.432 365 K N 2.306 122.715 120.400 0.015 0.000 2.272 365 K HA -0.060 4.260 4.320 -0.001 0.000 0.259 365 K C 0.314 176.908 176.600 -0.010 0.000 1.280 365 K CA 0.566 56.856 56.287 0.006 0.000 1.275 365 K CB -0.496 32.008 32.500 0.006 0.000 0.800 365 K HN 0.579 nan 8.250 nan 0.000 0.484 366 T N 1.895 116.434 114.554 -0.025 0.000 2.906 366 T HA 0.427 4.777 4.350 -0.001 0.000 0.295 366 T C -1.984 172.643 174.700 -0.122 0.000 1.061 366 T CA -1.941 60.107 62.100 -0.087 0.000 1.000 366 T CB 1.520 70.359 68.868 -0.049 0.000 1.103 366 T HN 0.286 nan 8.240 nan 0.000 0.486 367 P HA 0.172 nan 4.420 nan 0.000 0.232 367 P C -0.368 176.875 177.300 -0.095 0.000 1.170 367 P CA 0.439 63.430 63.100 -0.182 0.000 0.824 367 P CB -0.015 31.554 31.700 -0.218 0.000 0.896 368 H N 1.404 120.531 119.070 0.096 0.000 2.724 368 H HA 0.618 5.174 4.556 -0.001 0.000 0.278 368 H C 0.053 175.450 175.328 0.115 0.000 1.159 368 H CA -1.315 54.822 56.048 0.149 0.000 1.254 368 H CB -0.329 29.551 29.762 0.197 0.000 1.412 368 H HN 0.034 nan 8.280 nan 0.000 0.488 369 L N 0.512 121.901 121.223 0.276 0.000 2.438 369 L HA 0.807 5.147 4.340 -0.001 0.000 0.270 369 L C -1.636 175.461 176.870 0.378 0.000 0.972 369 L CA -0.727 54.257 54.840 0.241 0.000 0.831 369 L CB 2.446 44.594 42.059 0.149 0.000 1.273 369 L HN 0.441 nan 8.230 nan 0.000 0.405 370 D N 2.558 123.289 120.400 0.550 0.000 2.664 370 D HA 0.674 5.313 4.640 -0.001 0.000 0.292 370 D C -1.617 175.003 176.300 0.532 0.000 1.214 370 D CA -0.128 54.169 54.000 0.495 0.000 0.932 370 D CB 2.325 43.393 40.800 0.448 0.000 1.420 370 D HN 0.513 nan 8.370 nan 0.000 0.471 371 F N -0.472 119.622 119.950 0.241 0.000 2.565 371 F HA 0.425 4.952 4.527 -0.001 0.000 0.313 371 F C 1.283 176.864 175.800 -0.366 0.000 1.091 371 F CA -0.858 57.171 58.000 0.048 0.000 0.915 371 F CB 1.323 40.328 39.000 0.008 0.000 1.208 371 F HN 0.376 nan 8.300 nan 0.000 0.453 372 Q N 1.809 121.306 119.800 -0.504 0.000 2.268 372 Q HA -0.178 4.162 4.340 -0.001 0.000 0.213 372 Q C 1.464 176.449 176.000 -1.691 0.000 0.995 372 Q CA 2.499 57.523 55.803 -1.299 0.000 0.901 372 Q CB -0.391 27.546 28.738 -1.336 0.000 0.921 372 Q HN 1.150 nan 8.270 nan 0.000 0.421 373 G N -0.380 107.829 108.800 -0.986 0.000 3.192 373 G HA2 0.035 3.995 3.960 -0.001 0.000 0.239 373 G HA3 0.035 3.995 3.960 -0.001 0.000 0.239 373 G C 0.049 174.588 174.900 -0.601 0.000 1.084 373 G CA -0.538 44.072 45.100 -0.816 0.000 0.784 373 G HN 0.154 nan 8.290 nan 0.000 0.540 374 R N 1.979 121.894 120.500 -0.975 0.000 2.478 374 R HA -0.002 4.338 4.340 -0.001 0.000 0.281 374 R C -0.127 176.156 176.300 -0.029 0.000 0.939 374 R CA 1.079 56.743 56.100 -0.725 0.000 1.120 374 R CB 0.044 29.739 30.300 -1.009 0.000 0.885 374 R HN 0.226 nan 8.270 nan 0.000 0.415 375 T N 1.416 116.004 114.554 0.056 0.000 2.867 375 T HA 0.449 4.799 4.350 -0.001 0.000 0.282 375 T C 1.379 176.153 174.700 0.124 0.000 1.000 375 T CA -0.438 61.738 62.100 0.126 0.000 1.042 375 T CB 1.941 70.887 68.868 0.131 0.000 0.973 375 T HN 0.607 nan 8.240 nan 0.000 0.465 376 A N 2.391 125.282 122.820 0.118 0.000 1.884 376 A HA 0.249 4.569 4.320 -0.001 0.000 0.219 376 A C 1.623 179.265 177.584 0.095 0.000 1.197 376 A CA 1.371 53.464 52.037 0.093 0.000 0.637 376 A CB -1.199 17.848 19.000 0.078 0.000 0.827 376 A HN 1.407 nan 8.150 nan 0.000 0.450 377 A N 0.288 123.176 122.820 0.113 0.000 2.252 377 A HA 0.589 4.908 4.320 -0.001 0.000 0.309 377 A C -2.690 174.993 177.584 0.164 0.000 1.285 377 A CA -1.734 50.376 52.037 0.122 0.000 0.900 377 A CB 0.043 19.131 19.000 0.146 0.000 1.157 377 A HN 0.202 nan 8.150 nan 0.000 0.536 378 P HA 0.102 nan 4.420 nan 0.000 0.264 378 P C 0.855 178.295 177.300 0.234 0.000 1.193 378 P CA 0.517 63.720 63.100 0.171 0.000 0.763 378 P CB 1.027 32.794 31.700 0.112 0.000 0.810 379 A N 3.097 126.080 122.820 0.271 0.000 2.070 379 A HA -0.124 4.195 4.320 -0.001 0.000 0.220 379 A C 1.980 179.757 177.584 0.321 0.000 1.159 379 A CA 1.504 53.739 52.037 0.329 0.000 0.656 379 A CB -1.056 18.074 19.000 0.215 0.000 0.800 379 A HN 0.483 nan 8.150 nan 0.000 0.453 380 S N 0.035 115.849 115.700 0.190 0.000 2.555 380 S HA 0.011 4.481 4.470 -0.001 0.000 0.230 380 S C 1.623 176.176 174.600 -0.077 0.000 0.978 380 S CA 0.216 58.452 58.200 0.059 0.000 0.934 380 S CB -0.210 62.980 63.200 -0.018 0.000 0.766 380 S HN 0.437 nan 8.310 nan 0.000 0.533 381 L N 0.731 121.888 121.223 -0.110 0.000 2.012 381 L HA -0.005 4.335 4.340 -0.001 0.000 0.210 381 L C 0.328 176.944 176.870 -0.423 0.000 1.073 381 L CA 1.710 56.297 54.840 -0.421 0.000 0.748 381 L CB -1.031 40.505 42.059 -0.872 0.000 0.891 381 L HN 0.266 nan 8.230 nan 0.000 0.431 382 F N 0.307 120.254 119.950 -0.005 0.000 2.377 382 F HA 0.362 4.889 4.527 -0.001 0.000 0.328 382 F C -1.665 174.142 175.800 0.011 0.000 1.094 382 F CA -2.989 55.019 58.000 0.012 0.000 1.093 382 F CB -0.634 38.385 39.000 0.031 0.000 1.214 382 F HN -0.046 nan 8.300 nan 0.000 0.518 383 P HA 0.182 nan 4.420 nan 0.000 0.276 383 P C -2.696 174.680 177.300 0.127 0.000 1.264 383 P CA -1.340 61.836 63.100 0.126 0.000 0.769 383 P CB 0.408 32.168 31.700 0.101 0.000 0.840 384 P HA 0.121 nan 4.420 nan 0.000 0.268 384 P C -0.406 176.929 177.300 0.058 0.000 1.205 384 P CA 0.378 63.527 63.100 0.081 0.000 0.771 384 P CB 0.441 32.188 31.700 0.079 0.000 0.858 385 A N 2.425 125.268 122.820 0.039 0.000 2.330 385 A HA 0.543 4.863 4.320 -0.001 0.000 0.327 385 A C 0.166 177.756 177.584 0.011 0.000 1.155 385 A CA -0.462 51.589 52.037 0.023 0.000 0.803 385 A CB 0.788 19.795 19.000 0.011 0.000 1.208 385 A HN 0.430 nan 8.150 nan 0.000 0.477 386 S N 1.496 117.202 115.700 0.010 0.000 2.565 386 S HA 0.302 4.772 4.470 -0.001 0.000 0.274 386 S C 1.124 175.721 174.600 -0.005 0.000 1.309 386 S CA -0.672 57.532 58.200 0.007 0.000 1.043 386 S CB 0.075 63.282 63.200 0.012 0.000 0.939 386 S HN 0.555 nan 8.310 nan 0.000 0.504 387 L N 4.124 125.344 121.223 -0.005 0.000 2.137 387 L HA -0.086 4.254 4.340 -0.001 0.000 0.213 387 L C 2.460 179.326 176.870 -0.005 0.000 1.085 387 L CA 1.971 56.804 54.840 -0.012 0.000 0.760 387 L CB -1.306 40.754 42.059 0.000 0.000 0.893 387 L HN 0.852 nan 8.230 nan 0.000 0.434 388 E N -0.082 120.122 120.200 0.007 0.000 2.049 388 E HA -0.247 4.102 4.350 -0.001 0.000 0.198 388 E C 1.835 178.443 176.600 0.013 0.000 1.007 388 E CA 1.796 58.206 56.400 0.015 0.000 0.809 388 E CB -0.103 29.607 29.700 0.016 0.000 0.749 388 E HN 0.454 nan 8.360 nan 0.000 0.450 389 D N -0.091 120.311 120.400 0.003 0.000 2.158 389 D HA -0.190 4.450 4.640 -0.001 0.000 0.197 389 D C 1.959 178.246 176.300 -0.022 0.000 0.995 389 D CA 0.929 54.928 54.000 -0.001 0.000 0.846 389 D CB -0.405 40.392 40.800 -0.005 0.000 0.941 389 D HN 0.202 nan 8.370 nan 0.000 0.456 390 L N 0.637 121.821 121.223 -0.064 0.000 2.046 390 L HA -0.119 4.220 4.340 -0.001 0.000 0.208 390 L C 2.171 178.972 176.870 -0.116 0.000 1.077 390 L CA 1.378 56.108 54.840 -0.185 0.000 0.747 390 L CB -0.502 41.431 42.059 -0.210 0.000 0.896 390 L HN 0.031 nan 8.230 nan 0.000 0.432 391 L N -1.045 120.214 121.223 0.060 0.000 2.141 391 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 391 L C 2.419 179.444 176.870 0.258 0.000 1.094 391 L CA 1.152 56.133 54.840 0.234 0.000 0.763 391 L CB -0.490 41.646 42.059 0.129 0.000 0.908 391 L HN 0.450 nan 8.230 nan 0.000 0.437 392 Q N -0.255 119.629 119.800 0.140 0.000 2.424 392 Q HA 0.155 4.495 4.340 -0.001 0.000 0.204 392 Q C 0.954 177.033 176.000 0.131 0.000 0.933 392 Q CA 0.158 56.026 55.803 0.108 0.000 0.929 392 Q CB 0.267 29.038 28.738 0.055 0.000 1.037 392 Q HN 0.426 nan 8.270 nan 0.000 0.511 393 A N 1.481 124.400 122.820 0.165 0.000 2.366 393 A HA 0.005 4.324 4.320 -0.001 0.000 0.250 393 A C 0.327 178.086 177.584 0.292 0.000 1.099 393 A CA 0.022 52.152 52.037 0.155 0.000 0.794 393 A CB 0.324 19.336 19.000 0.020 0.000 1.056 393 A HN 0.055 nan 8.150 nan 0.000 0.499 394 D N -1.334 119.189 120.400 0.204 0.000 2.566 394 D HA 0.174 4.813 4.640 -0.001 0.000 0.253 394 D C -0.315 176.180 176.300 0.325 0.000 0.992 394 D CA 0.983 55.102 54.000 0.198 0.000 0.940 394 D CB 0.065 40.924 40.800 0.099 0.000 1.095 394 D HN 0.373 nan 8.370 nan 0.000 0.480 395 F N 0.692 120.713 119.950 0.119 0.000 2.546 395 F HA 0.588 5.114 4.527 -0.001 0.000 0.320 395 F C -1.234 174.661 175.800 0.159 0.000 1.076 395 F CA -1.303 56.789 58.000 0.153 0.000 0.928 395 F CB 1.864 40.900 39.000 0.059 0.000 1.189 395 F HN -0.159 nan 8.300 nan 0.000 0.465 396 A N 5.937 128.392 122.820 -0.608 0.000 2.360 396 A HA 0.592 4.912 4.320 -0.001 0.000 0.309 396 A C -1.927 175.417 177.584 -0.400 0.000 1.311 396 A CA -0.540 51.265 52.037 -0.386 0.000 0.805 396 A CB 0.403 19.204 19.000 -0.331 0.000 1.144 396 A HN 0.656 nan 8.150 nan 0.000 0.486 397 L N 4.211 125.468 121.223 0.057 0.000 2.261 397 L HA 0.603 4.943 4.340 -0.001 0.000 0.289 397 L C -0.809 176.100 176.870 0.064 0.000 1.059 397 L CA 0.048 55.006 54.840 0.198 0.000 0.816 397 L CB 1.108 43.453 42.059 0.476 0.000 1.191 397 L HN 0.372 nan 8.230 nan 0.000 0.431 398 V N 6.487 126.399 119.914 -0.003 0.000 2.487 398 V HA 0.492 4.612 4.120 -0.001 0.000 0.298 398 V C -0.730 175.386 176.094 0.037 0.000 1.028 398 V CA -0.574 61.716 62.300 -0.017 0.000 0.860 398 V CB 1.720 33.499 31.823 -0.072 0.000 0.991 398 V HN 0.466 nan 8.190 nan 0.000 0.427 399 L N 4.689 125.947 121.223 0.059 0.000 2.388 399 L HA 0.970 5.310 4.340 -0.001 0.000 0.267 399 L C 0.418 177.339 176.870 0.085 0.000 0.995 399 L CA 0.281 55.190 54.840 0.116 0.000 0.864 399 L CB 1.237 43.354 42.059 0.096 0.000 1.216 399 L HN 1.002 nan 8.230 nan 0.000 0.430 400 G N 1.352 110.210 108.800 0.097 0.000 2.347 400 G HA2 0.160 4.120 3.960 -0.001 0.000 0.477 400 G HA3 0.160 4.120 3.960 -0.001 0.000 0.477 400 G C -1.909 172.999 174.900 0.014 0.000 1.349 400 G CA -0.969 44.178 45.100 0.078 0.000 1.000 400 G HN 0.339 nan 8.290 nan 0.000 0.605 401 D N 0.778 121.190 120.400 0.020 0.000 2.472 401 D HA 0.584 5.224 4.640 -0.001 0.000 0.234 401 D C -1.024 175.288 176.300 0.021 0.000 1.088 401 D CA -2.164 51.825 54.000 -0.018 0.000 0.882 401 D CB 1.797 42.592 40.800 -0.008 0.000 1.037 401 D HN -0.015 nan 8.370 nan 0.000 0.520 402 P HA -0.182 nan 4.420 nan 0.000 0.218 402 P C 1.253 178.612 177.300 0.099 0.000 1.152 402 P CA 1.361 64.478 63.100 0.028 0.000 0.857 402 P CB 0.244 31.939 31.700 -0.010 0.000 0.787 403 T N -0.610 114.024 114.554 0.132 0.000 2.699 403 T HA -0.179 4.171 4.350 -0.001 0.000 0.268 403 T C 1.463 176.224 174.700 0.102 0.000 1.036 403 T CA 1.453 63.691 62.100 0.231 0.000 1.147 403 T CB -0.433 68.566 68.868 0.217 0.000 0.862 403 T HN 0.273 nan 8.240 nan 0.000 0.446 404 E N 0.372 120.614 120.200 0.071 0.000 2.244 404 E HA 0.076 4.426 4.350 -0.001 0.000 0.196 404 E C 2.295 178.893 176.600 -0.003 0.000 0.939 404 E CA 0.390 56.805 56.400 0.025 0.000 0.884 404 E CB 0.008 29.752 29.700 0.073 0.000 0.850 404 E HN 0.609 nan 8.360 nan 0.000 0.481 405 E N 1.266 121.477 120.200 0.018 0.000 2.014 405 E HA 0.054 4.404 4.350 -0.001 0.000 0.190 405 E C 0.639 177.239 176.600 -0.001 0.000 0.980 405 E CA 0.859 57.258 56.400 -0.001 0.000 0.807 405 E CB 0.197 29.903 29.700 0.010 0.000 0.770 405 E HN 0.012 nan 8.360 nan 0.000 0.451 406 A N 1.488 124.322 122.820 0.023 0.000 3.105 406 A HA 0.324 4.644 4.320 -0.001 0.000 0.336 406 A C -2.161 175.475 177.584 0.087 0.000 1.042 406 A CA -1.279 50.778 52.037 0.034 0.000 0.851 406 A CB 0.438 19.451 19.000 0.020 0.000 1.068 406 A HN -0.075 nan 8.150 nan 0.000 0.477 407 P HA -0.229 nan 4.420 nan 0.000 0.217 407 P C 1.387 178.922 177.300 0.391 0.000 1.158 407 P CA 1.082 64.346 63.100 0.272 0.000 0.887 407 P CB 0.187 31.980 31.700 0.155 0.000 0.792 408 I N -1.368 119.344 120.570 0.237 0.000 2.423 408 I HA -0.183 3.987 4.170 -0.001 0.000 0.254 408 I C 2.119 178.274 176.117 0.065 0.000 1.151 408 I CA 1.080 62.451 61.300 0.119 0.000 1.421 408 I CB -1.117 36.946 38.000 0.104 0.000 1.079 408 I HN -0.085 nan 8.210 nan 0.000 0.431 409 L N -0.957 120.317 121.223 0.085 0.000 2.261 409 L HA -0.280 4.059 4.340 -0.001 0.000 0.216 409 L C 2.426 179.338 176.870 0.071 0.000 1.114 409 L CA 1.331 56.200 54.840 0.049 0.000 0.777 409 L CB -0.846 41.226 42.059 0.023 0.000 0.910 409 L HN 0.397 nan 8.230 nan 0.000 0.440 410 H N 0.347 119.420 119.070 0.004 0.000 2.352 410 H HA -0.172 4.383 4.556 -0.001 0.000 0.299 410 H C 2.184 177.472 175.328 -0.067 0.000 1.097 410 H CA 1.562 57.599 56.048 -0.018 0.000 1.311 410 H CB 0.207 30.001 29.762 0.053 0.000 1.377 410 H HN 0.248 nan 8.280 nan 0.000 0.504 411 L N -0.325 120.901 121.223 0.005 0.000 2.375 411 L HA 0.017 4.356 4.340 -0.001 0.000 0.215 411 L C 2.077 178.953 176.870 0.011 0.000 1.108 411 L CA 0.169 54.955 54.840 -0.090 0.000 0.830 411 L CB -0.051 41.812 42.059 -0.327 0.000 0.959 411 L HN 0.218 nan 8.230 nan 0.000 0.457 412 R N 0.297 120.820 120.500 0.037 0.000 2.200 412 R HA 0.096 4.436 4.340 -0.001 0.000 0.208 412 R C 2.025 178.382 176.300 0.095 0.000 1.033 412 R CA 0.699 56.829 56.100 0.051 0.000 1.000 412 R CB -0.470 29.843 30.300 0.023 0.000 0.906 412 R HN 0.360 nan 8.270 nan 0.000 0.462 413 L N 0.208 121.499 121.223 0.114 0.000 2.240 413 L HA 0.036 4.376 4.340 -0.001 0.000 0.211 413 L C 2.343 179.361 176.870 0.246 0.000 1.106 413 L CA 0.729 55.690 54.840 0.202 0.000 0.793 413 L CB -0.280 41.864 42.059 0.143 0.000 0.927 413 L HN 0.114 nan 8.230 nan 0.000 0.446 414 S N -0.225 115.609 115.700 0.222 0.000 2.402 414 S HA -0.158 4.311 4.470 -0.001 0.000 0.229 414 S C 1.799 176.308 174.600 -0.151 0.000 1.021 414 S CA 1.235 59.402 58.200 -0.056 0.000 0.974 414 S CB 0.016 63.280 63.200 0.108 0.000 0.800 414 S HN 0.443 nan 8.310 nan 0.000 0.484 415 E N -0.546 119.650 120.200 -0.007 0.000 2.122 415 E HA -0.028 4.321 4.350 -0.001 0.000 0.190 415 E C 1.717 178.330 176.600 0.022 0.000 0.977 415 E CA 0.793 57.194 56.400 0.003 0.000 0.820 415 E CB -0.248 29.486 29.700 0.057 0.000 0.770 415 E HN 0.672 nan 8.360 nan 0.000 0.462 416 F N 1.573 121.482 119.950 -0.068 0.000 2.146 416 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 416 F C 2.096 177.840 175.800 -0.094 0.000 1.096 416 F CA 0.872 58.834 58.000 -0.063 0.000 1.275 416 F CB -0.235 38.739 39.000 -0.044 0.000 1.008 416 F HN -0.241 nan 8.300 nan 0.000 0.480 417 V N 1.045 120.833 119.914 -0.211 0.000 2.407 417 V HA -0.270 3.850 4.120 -0.001 0.000 0.248 417 V C 2.342 178.218 176.094 -0.364 0.000 1.055 417 V CA 2.127 64.216 62.300 -0.351 0.000 1.049 417 V CB -0.569 31.044 31.823 -0.351 0.000 0.662 417 V HN 0.297 nan 8.190 nan 0.000 0.455 418 R N -0.911 119.407 120.500 -0.304 0.000 2.313 418 R HA 0.009 4.349 4.340 -0.001 0.000 0.199 418 R C 0.936 177.124 176.300 -0.185 0.000 0.958 418 R CA 0.641 56.599 56.100 -0.237 0.000 1.047 418 R CB -0.071 30.112 30.300 -0.195 0.000 0.955 418 R HN 0.479 nan 8.270 nan 0.000 0.481 419 D N -0.937 119.329 120.400 -0.224 0.000 2.911 419 D HA -0.145 4.495 4.640 -0.001 0.000 0.199 419 D C -0.667 175.574 176.300 -0.097 0.000 1.041 419 D CA 0.642 54.531 54.000 -0.185 0.000 1.013 419 D CB -0.740 39.969 40.800 -0.152 0.000 1.093 419 D HN 0.116 nan 8.370 nan 0.000 0.431 420 L N -0.047 121.136 121.223 -0.067 0.000 2.514 420 L HA 0.116 4.456 4.340 -0.001 0.000 0.280 420 L C 0.890 177.765 176.870 0.008 0.000 1.223 420 L CA 0.935 55.767 54.840 -0.015 0.000 0.864 420 L CB 0.354 42.421 42.059 0.013 0.000 1.118 420 L HN -0.020 nan 8.230 nan 0.000 0.494 421 K N 2.570 122.974 120.400 0.008 0.000 2.443 421 K HA 0.432 4.752 4.320 -0.001 0.000 0.251 421 K C -2.486 174.110 176.600 -0.007 0.000 0.972 421 K CA -1.841 54.451 56.287 0.008 0.000 0.833 421 K CB 1.668 34.164 32.500 -0.007 0.000 1.317 421 K HN 0.236 nan 8.250 nan 0.000 0.441 422 P HA -0.059 nan 4.420 nan 0.000 0.255 422 P C -2.259 174.988 177.300 -0.089 0.000 1.161 422 P CA -0.396 62.695 63.100 -0.014 0.000 0.768 422 P CB -0.335 31.358 31.700 -0.012 0.000 0.746 423 P HA 0.028 nan 4.420 nan 0.000 0.271 423 P C -0.154 177.056 177.300 -0.150 0.000 1.244 423 P CA 0.112 63.155 63.100 -0.096 0.000 0.793 423 P CB 0.588 32.309 31.700 0.034 0.000 0.984 424 H N 0.442 119.545 119.070 0.056 0.000 2.607 424 H HA 0.261 4.817 4.556 -0.001 0.000 0.367 424 H C 0.682 175.995 175.328 -0.026 0.000 1.181 424 H CA 0.150 56.168 56.048 -0.049 0.000 1.402 424 H CB 0.833 30.482 29.762 -0.189 0.000 1.474 424 H HN 0.248 nan 8.280 nan 0.000 0.596 425 R N 2.206 122.715 120.500 0.014 0.000 2.265 425 R HA 0.185 4.525 4.340 -0.001 0.000 0.328 425 R C -0.678 175.580 176.300 -0.070 0.000 0.969 425 R CA -0.490 55.630 56.100 0.034 0.000 0.832 425 R CB 0.503 30.823 30.300 0.033 0.000 1.139 425 R HN 0.465 nan 8.270 nan 0.000 0.457 426 Y N 1.089 121.319 120.300 -0.116 0.000 2.378 426 Y HA 0.086 4.636 4.550 -0.001 0.000 0.351 426 Y C 1.731 177.697 175.900 0.110 0.000 1.351 426 Y CA -0.586 57.465 58.100 -0.081 0.000 1.616 426 Y CB 0.341 38.692 38.460 -0.181 0.000 1.622 426 Y HN 0.473 nan 8.280 nan 0.000 0.568 427 N N -0.128 118.955 118.700 0.638 0.000 2.244 427 N HA -0.158 4.582 4.740 -0.001 0.000 0.183 427 N C 1.136 176.820 175.510 0.289 0.000 1.016 427 N CA 1.343 54.620 53.050 0.378 0.000 0.866 427 N CB -0.280 38.345 38.487 0.230 0.000 0.980 427 N HN 0.639 nan 8.380 nan 0.000 0.430 428 H N -1.583 117.606 119.070 0.198 0.000 2.519 428 H HA 0.399 4.955 4.556 -0.001 0.000 0.289 428 H C 1.122 176.521 175.328 0.119 0.000 1.040 428 H CA 0.484 56.590 56.048 0.098 0.000 1.165 428 H CB -0.551 29.190 29.762 -0.035 0.000 1.462 428 H HN 0.133 nan 8.280 nan 0.000 0.555 429 G N 1.167 109.908 108.800 -0.099 0.000 2.498 429 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.251 429 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.251 429 G C -0.290 174.544 174.900 -0.111 0.000 1.170 429 G CA -0.132 44.935 45.100 -0.055 0.000 0.944 429 G HN 0.512 nan 8.290 nan 0.000 0.567 430 T N 5.116 119.641 114.554 -0.048 0.000 2.905 430 T HA 0.416 4.766 4.350 -0.001 0.000 0.299 430 T C -1.708 172.932 174.700 -0.099 0.000 1.024 430 T CA 0.571 62.631 62.100 -0.066 0.000 1.151 430 T CB 0.824 69.623 68.868 -0.115 0.000 0.987 430 T HN 0.638 nan 8.240 nan 0.000 0.535 431 P HA 0.015 nan 4.420 nan 0.000 0.266 431 P C 0.242 177.606 177.300 0.107 0.000 1.193 431 P CA -0.128 62.886 63.100 -0.144 0.000 0.770 431 P CB 0.464 32.090 31.700 -0.122 0.000 0.836 432 F N 1.102 120.955 119.950 -0.162 0.000 2.473 432 F HA 0.210 4.737 4.527 -0.001 0.000 0.294 432 F C 1.573 177.323 175.800 -0.083 0.000 1.103 432 F CA 0.355 58.274 58.000 -0.135 0.000 1.442 432 F CB -0.485 38.413 39.000 -0.169 0.000 1.097 432 F HN 0.293 nan 8.300 nan 0.000 0.547 433 A N 0.130 123.027 122.820 0.128 0.000 2.943 433 A HA 0.319 4.638 4.320 -0.001 0.000 0.327 433 A C -1.038 176.576 177.584 0.051 0.000 1.141 433 A CA -0.507 51.579 52.037 0.081 0.000 0.773 433 A CB -0.261 18.796 19.000 0.096 0.000 1.143 433 A HN -0.059 nan 8.150 nan 0.000 0.463 434 D N 2.514 122.939 120.400 0.042 0.000 2.344 434 D HA 0.127 4.766 4.640 -0.001 0.000 0.253 434 D C 1.065 177.404 176.300 0.065 0.000 1.255 434 D CA -0.369 53.665 54.000 0.056 0.000 0.894 434 D CB 0.672 41.501 40.800 0.048 0.000 1.067 434 D HN 0.296 nan 8.370 nan 0.000 0.492 435 L N 3.526 124.793 121.223 0.074 0.000 2.353 435 L HA -0.146 4.194 4.340 -0.001 0.000 0.220 435 L C 2.023 178.927 176.870 0.056 0.000 1.133 435 L CA 1.267 56.145 54.840 0.064 0.000 0.798 435 L CB -0.733 41.367 42.059 0.068 0.000 0.922 435 L HN 0.664 nan 8.230 nan 0.000 0.445 436 Q N 0.245 120.081 119.800 0.061 0.000 2.224 436 Q HA -0.124 4.215 4.340 -0.001 0.000 0.203 436 Q C 0.599 176.620 176.000 0.035 0.000 0.970 436 Q CA 0.615 56.446 55.803 0.046 0.000 0.865 436 Q CB 0.142 28.909 28.738 0.048 0.000 0.922 436 Q HN 0.434 nan 8.270 nan 0.000 0.445 437 I N 3.017 123.615 120.570 0.046 0.000 2.308 437 I HA 0.143 4.313 4.170 -0.001 0.000 0.293 437 I C -0.258 175.881 176.117 0.036 0.000 1.078 437 I CA -0.414 60.912 61.300 0.043 0.000 1.292 437 I CB 0.703 38.744 38.000 0.069 0.000 1.423 437 I HN -0.149 nan 8.210 nan 0.000 0.493 438 K N 5.721 126.133 120.400 0.019 0.000 2.118 438 K HA 0.278 4.597 4.320 -0.001 0.000 0.267 438 K C -0.090 176.519 176.600 0.015 0.000 0.991 438 K CA -0.573 55.724 56.287 0.017 0.000 0.916 438 K CB 1.431 33.934 32.500 0.005 0.000 1.041 438 K HN 0.561 nan 8.250 nan 0.000 0.455 439 E N 1.632 121.846 120.200 0.024 0.000 2.344 439 E HA 0.014 4.363 4.350 -0.001 0.000 0.270 439 E C -0.476 176.131 176.600 0.011 0.000 1.021 439 E CA -0.088 56.328 56.400 0.027 0.000 0.887 439 E CB 0.351 30.078 29.700 0.043 0.000 0.997 439 E HN 0.444 nan 8.360 nan 0.000 0.429 440 R N 2.539 123.041 120.500 0.003 0.000 3.656 440 R HA -0.159 4.180 4.340 -0.001 0.000 0.297 440 R C -0.478 175.803 176.300 -0.031 0.000 1.166 440 R CA 0.608 56.702 56.100 -0.010 0.000 0.799 440 R CB -1.832 28.470 30.300 0.002 0.000 1.285 440 R HN 0.714 nan 8.270 nan 0.000 0.477 441 M N 1.653 121.225 119.600 -0.047 0.000 2.252 441 M HA 0.095 4.575 4.480 -0.001 0.000 0.329 441 M C -1.224 175.019 176.300 -0.095 0.000 1.101 441 M CA -0.678 54.581 55.300 -0.068 0.000 1.117 441 M CB 0.108 32.658 32.600 -0.084 0.000 1.563 441 M HN 0.007 nan 8.290 nan 0.000 0.445 442 P HA 0.141 nan 4.420 nan 0.000 0.271 442 P C -1.339 175.865 177.300 -0.161 0.000 1.218 442 P CA 0.076 63.114 63.100 -0.103 0.000 0.780 442 P CB 0.515 32.168 31.700 -0.078 0.000 0.901 443 R N 2.546 122.932 120.500 -0.189 0.000 2.387 443 R HA 0.410 4.750 4.340 -0.001 0.000 0.314 443 R C 0.295 176.477 176.300 -0.196 0.000 0.958 443 R CA -0.812 55.117 56.100 -0.285 0.000 0.846 443 R CB 1.759 31.787 30.300 -0.454 0.000 1.147 443 R HN 0.444 nan 8.270 nan 0.000 0.447 444 R N 1.389 121.768 120.500 -0.201 0.000 2.242 444 R HA 0.059 4.398 4.340 -0.001 0.000 0.334 444 R C 0.889 177.142 176.300 -0.079 0.000 1.071 444 R CA 0.023 56.044 56.100 -0.132 0.000 0.922 444 R CB 0.791 30.997 30.300 -0.157 0.000 1.023 444 R HN 0.719 nan 8.270 nan 0.000 0.458 445 T N -2.363 112.176 114.554 -0.026 0.000 3.129 445 T HA -0.060 4.290 4.350 -0.001 0.000 0.251 445 T C 0.926 175.655 174.700 0.048 0.000 1.117 445 T CA 0.324 62.437 62.100 0.021 0.000 1.034 445 T CB 0.024 68.910 68.868 0.029 0.000 0.968 445 T HN 0.584 nan 8.240 nan 0.000 0.526 446 D N 0.591 121.017 120.400 0.044 0.000 2.349 446 D HA 0.047 4.687 4.640 -0.001 0.000 0.214 446 D C 1.587 177.993 176.300 0.176 0.000 1.063 446 D CA -0.028 54.035 54.000 0.105 0.000 0.847 446 D CB 0.014 40.857 40.800 0.072 0.000 0.933 446 D HN 0.299 nan 8.370 nan 0.000 0.513 447 K N -0.251 120.192 120.400 0.070 0.000 2.361 447 K HA 0.126 4.446 4.320 -0.001 0.000 0.196 447 K C 0.948 177.478 176.600 -0.116 0.000 1.039 447 K CA 0.097 56.406 56.287 0.036 0.000 1.001 447 K CB 0.441 32.828 32.500 -0.188 0.000 0.795 447 K HN 0.235 nan 8.250 nan 0.000 0.495 448 M N -1.114 118.392 119.600 -0.158 0.000 2.618 448 M HA 0.541 5.020 4.480 -0.001 0.000 0.281 448 M C -2.143 174.014 176.300 -0.237 0.000 1.267 448 M CA -0.740 54.311 55.300 -0.414 0.000 0.845 448 M CB 2.429 34.952 32.600 -0.128 0.000 1.732 448 M HN -0.148 nan 8.290 nan 0.000 0.461 449 A N 3.022 125.678 122.820 -0.273 0.000 2.427 449 A HA 0.759 5.079 4.320 -0.001 0.000 0.298 449 A C -2.051 175.357 177.584 -0.293 0.000 1.036 449 A CA -0.692 51.248 52.037 -0.161 0.000 0.701 449 A CB 1.880 20.913 19.000 0.057 0.000 1.250 449 A HN 0.778 nan 8.150 nan 0.000 0.412 450 L N 2.318 123.304 121.223 -0.396 0.000 2.346 450 L HA 0.782 5.122 4.340 -0.001 0.000 0.276 450 L C -1.879 174.711 176.870 -0.466 0.000 1.006 450 L CA -0.422 54.227 54.840 -0.318 0.000 0.817 450 L CB 1.421 43.371 42.059 -0.182 0.000 1.272 450 L HN 0.678 nan 8.230 nan 0.000 0.421 451 F N 3.103 123.075 119.950 0.037 0.000 2.539 451 F HA 0.727 5.253 4.527 -0.001 0.000 0.328 451 F C 0.116 176.022 175.800 0.177 0.000 1.148 451 F CA -0.715 57.331 58.000 0.077 0.000 0.940 451 F CB 1.974 40.955 39.000 -0.033 0.000 1.194 451 F HN 0.513 nan 8.300 nan 0.000 0.438 452 A N 4.337 127.432 122.820 0.458 0.000 2.574 452 A HA 0.715 5.034 4.320 -0.001 0.000 0.297 452 A C -2.441 175.063 177.584 -0.133 0.000 1.062 452 A CA -1.443 50.708 52.037 0.191 0.000 0.686 452 A CB 1.737 20.644 19.000 -0.156 0.000 1.285 452 A HN 0.347 nan 8.150 nan 0.000 0.403 453 P HA -0.034 nan 4.420 nan 0.000 0.234 453 P C -0.381 177.102 177.300 0.305 0.000 1.162 453 P CA 1.664 64.645 63.100 -0.199 0.000 0.759 453 P CB -0.759 30.839 31.700 -0.169 0.000 0.813 454 Y N -4.317 115.993 120.300 0.017 0.000 2.788 454 Y HA 0.438 4.987 4.550 -0.001 0.000 0.335 454 Y C 0.003 175.957 175.900 0.090 0.000 1.287 454 Y CA -1.845 56.320 58.100 0.109 0.000 1.068 454 Y CB 0.532 39.100 38.460 0.180 0.000 1.340 454 Y HN -0.470 nan 8.280 nan 0.000 0.449 455 R N 2.207 122.789 120.500 0.138 0.000 2.824 455 R HA 0.446 4.786 4.340 -0.001 0.000 0.240 455 R C -0.519 175.716 176.300 -0.108 0.000 1.548 455 R CA 0.479 56.591 56.100 0.019 0.000 1.119 455 R CB -0.635 29.698 30.300 0.056 0.000 1.189 455 R HN 0.790 nan 8.270 nan 0.000 0.596 456 A N 5.750 128.376 122.820 -0.323 0.000 2.462 456 A HA 0.230 4.550 4.320 -0.001 0.000 0.243 456 A C -1.490 175.968 177.584 -0.209 0.000 1.076 456 A CA -1.283 50.524 52.037 -0.383 0.000 0.773 456 A CB 0.327 19.070 19.000 -0.427 0.000 1.010 456 A HN 0.508 nan 8.150 nan 0.000 0.493 457 P HA -0.237 nan 4.420 nan 0.000 0.212 457 P C 1.017 178.102 177.300 -0.357 0.000 1.128 457 P CA 1.630 64.626 63.100 -0.174 0.000 0.961 457 P CB -0.133 31.529 31.700 -0.064 0.000 0.782 458 L N -2.465 118.489 121.223 -0.448 0.000 2.633 458 L HA 0.043 4.382 4.340 -0.001 0.000 0.235 458 L C 2.481 179.118 176.870 -0.389 0.000 1.163 458 L CA 1.011 55.481 54.840 -0.617 0.000 0.859 458 L CB -1.119 40.601 42.059 -0.566 0.000 0.973 458 L HN -0.030 nan 8.230 nan 0.000 0.451 459 M N -0.620 118.801 119.600 -0.299 0.000 2.446 459 M HA -0.211 4.268 4.480 -0.001 0.000 0.263 459 M C 2.141 178.259 176.300 -0.304 0.000 1.066 459 M CA 1.207 56.364 55.300 -0.239 0.000 1.087 459 M CB 0.102 32.605 32.600 -0.161 0.000 1.406 459 M HN 0.102 nan 8.290 nan 0.000 0.459 460 K N 0.152 120.362 120.400 -0.317 0.000 2.002 460 K HA -0.149 4.171 4.320 -0.001 0.000 0.209 460 K C 0.801 177.360 176.600 -0.068 0.000 1.048 460 K CA 1.494 57.636 56.287 -0.243 0.000 0.930 460 K CB -0.282 32.049 32.500 -0.281 0.000 0.714 460 K HN 0.412 nan 8.250 nan 0.000 0.438 461 W N 0.862 122.077 121.300 -0.141 0.000 3.446 461 W HA 0.354 5.013 4.660 -0.001 0.000 0.298 461 W C -0.418 176.031 176.519 -0.116 0.000 1.299 461 W CA -0.374 56.901 57.345 -0.117 0.000 1.686 461 W CB -1.533 27.863 29.460 -0.106 0.000 1.046 461 W HN 0.014 nan 8.180 nan 0.000 0.746 462 A N -0.268 122.564 122.820 0.020 0.000 2.353 462 A HA 0.723 5.043 4.320 -0.001 0.000 0.299 462 A C 0.849 178.414 177.584 -0.031 0.000 1.089 462 A CA 0.038 52.065 52.037 -0.016 0.000 0.736 462 A CB 1.126 20.085 19.000 -0.068 0.000 1.195 462 A HN 0.051 nan 8.150 nan 0.000 0.447 463 A N 3.168 126.018 122.820 0.050 0.000 1.825 463 A HA 0.118 4.438 4.320 -0.001 0.000 0.214 463 A C 1.044 178.759 177.584 0.219 0.000 1.206 463 A CA 1.006 53.108 52.037 0.108 0.000 0.609 463 A CB -0.505 18.561 19.000 0.109 0.000 0.851 463 A HN 0.859 nan 8.150 nan 0.000 0.445 464 I N 2.845 123.510 120.570 0.159 0.000 2.593 464 I HA 0.084 4.254 4.170 -0.001 0.000 0.304 464 I C -0.122 176.001 176.117 0.010 0.000 1.176 464 I CA 0.606 61.977 61.300 0.118 0.000 1.533 464 I CB -1.873 36.210 38.000 0.138 0.000 1.492 464 I HN 0.539 nan 8.210 nan 0.000 0.704 465 H N 3.801 122.806 119.070 -0.109 0.000 2.679 465 H HA 0.749 5.305 4.556 -0.001 0.000 0.360 465 H C -1.428 173.910 175.328 0.018 0.000 1.105 465 H CA -1.120 54.829 56.048 -0.165 0.000 1.196 465 H CB 2.599 32.299 29.762 -0.104 0.000 1.636 465 H HN 0.553 nan 8.280 nan 0.000 0.531 466 E N 2.960 123.211 120.200 0.085 0.000 2.291 466 E HA 0.356 4.706 4.350 -0.001 0.000 0.276 466 E C -1.552 175.241 176.600 0.322 0.000 0.896 466 E CA -0.777 55.748 56.400 0.209 0.000 0.774 466 E CB 2.272 32.189 29.700 0.361 0.000 1.227 466 E HN 0.438 nan 8.360 nan 0.000 0.413 467 V N 5.931 125.955 119.914 0.183 0.000 2.370 467 V HA 0.186 4.306 4.120 -0.001 0.000 0.257 467 V C 0.165 176.369 176.094 0.183 0.000 1.064 467 V CA -0.010 62.399 62.300 0.181 0.000 0.975 467 V CB -0.962 30.935 31.823 0.124 0.000 1.067 467 V HN 0.697 nan 8.190 nan 0.000 0.485 468 H N 4.404 123.539 119.070 0.108 0.000 2.497 468 H HA 0.808 5.364 4.556 -0.001 0.000 0.331 468 H C 0.223 175.613 175.328 0.103 0.000 1.457 468 H CA -1.257 54.829 56.048 0.063 0.000 1.459 468 H CB 0.772 30.536 29.762 0.004 0.000 1.728 468 H HN 0.558 nan 8.280 nan 0.000 0.691 469 R N -0.798 119.738 120.500 0.060 0.000 2.758 469 R HA 0.459 4.799 4.340 -0.001 0.000 0.265 469 R C -2.904 173.384 176.300 -0.020 0.000 1.016 469 R CA -2.238 53.887 56.100 0.042 0.000 1.040 469 R CB 0.256 30.663 30.300 0.179 0.000 1.152 469 R HN 0.372 nan 8.270 nan 0.000 0.503 470 P HA -0.086 nan 4.420 nan 0.000 0.267 470 P C 0.182 177.414 177.300 -0.113 0.000 1.195 470 P CA 1.038 63.942 63.100 -0.327 0.000 0.773 470 P CB 0.223 31.660 31.700 -0.438 0.000 0.837 471 G N 1.625 110.387 108.800 -0.063 0.000 2.385 471 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.284 471 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.284 471 G C 0.554 175.473 174.900 0.032 0.000 0.899 471 G CA 0.824 45.938 45.100 0.024 0.000 1.204 471 G HN 0.720 nan 8.290 nan 0.000 0.486 472 E N -0.871 119.374 120.200 0.075 0.000 2.606 472 E HA 0.040 4.390 4.350 -0.001 0.000 0.224 472 E C 2.173 178.726 176.600 -0.079 0.000 0.930 472 E CA 0.399 56.820 56.400 0.034 0.000 1.125 472 E CB 0.127 29.900 29.700 0.122 0.000 1.123 472 E HN 0.586 nan 8.360 nan 0.000 0.522 473 E N 2.059 122.193 120.200 -0.110 0.000 2.118 473 E HA -0.302 4.048 4.350 -0.001 0.000 0.195 473 E C 1.859 178.374 176.600 -0.143 0.000 0.992 473 E CA 1.317 57.587 56.400 -0.216 0.000 0.804 473 E CB -0.584 29.040 29.700 -0.127 0.000 0.741 473 E HN 0.362 nan 8.360 nan 0.000 0.458 474 R N 1.412 121.869 120.500 -0.072 0.000 2.140 474 R HA -0.216 4.124 4.340 -0.001 0.000 0.250 474 R C 1.894 178.148 176.300 -0.077 0.000 1.150 474 R CA 2.059 58.127 56.100 -0.054 0.000 0.966 474 R CB -0.617 29.667 30.300 -0.026 0.000 0.869 474 R HN 0.300 nan 8.270 nan 0.000 0.445 475 E N 0.559 120.701 120.200 -0.096 0.000 2.086 475 E HA -0.026 4.324 4.350 -0.001 0.000 0.190 475 E C 2.125 178.633 176.600 -0.154 0.000 0.975 475 E CA 0.831 57.169 56.400 -0.103 0.000 0.813 475 E CB -0.090 29.558 29.700 -0.086 0.000 0.768 475 E HN 0.252 nan 8.360 nan 0.000 0.457 476 I N 1.050 121.481 120.570 -0.232 0.000 2.208 476 I HA -0.289 3.881 4.170 -0.001 0.000 0.245 476 I C 2.111 178.071 176.117 -0.261 0.000 1.097 476 I CA 1.118 62.217 61.300 -0.336 0.000 1.363 476 I CB -0.214 37.437 38.000 -0.582 0.000 1.051 476 I HN 0.054 nan 8.210 nan 0.000 0.413 477 L N -0.540 120.559 121.223 -0.206 0.000 2.131 477 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 477 L C 2.343 179.139 176.870 -0.123 0.000 1.092 477 L CA 1.458 56.205 54.840 -0.156 0.000 0.759 477 L CB -0.651 41.341 42.059 -0.111 0.000 0.903 477 L HN 0.247 nan 8.230 nan 0.000 0.435 478 L N -0.927 120.233 121.223 -0.104 0.000 2.017 478 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 478 L C 2.633 179.455 176.870 -0.081 0.000 1.073 478 L CA 1.425 56.219 54.840 -0.077 0.000 0.745 478 L CB -0.318 41.703 42.059 -0.065 0.000 0.894 478 L HN 0.274 nan 8.230 nan 0.000 0.432 479 A N 0.023 122.783 122.820 -0.100 0.000 1.883 479 A HA -0.235 4.085 4.320 -0.001 0.000 0.217 479 A C 2.161 179.694 177.584 -0.084 0.000 1.186 479 A CA 1.900 53.883 52.037 -0.090 0.000 0.624 479 A CB -0.924 18.008 19.000 -0.113 0.000 0.822 479 A HN 0.503 nan 8.150 nan 0.000 0.444 480 L N -0.949 120.205 121.223 -0.115 0.000 2.131 480 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 480 L C 2.590 179.394 176.870 -0.111 0.000 1.092 480 L CA 0.932 55.698 54.840 -0.124 0.000 0.759 480 L CB -0.574 41.367 42.059 -0.198 0.000 0.903 480 L HN 0.385 nan 8.230 nan 0.000 0.435 481 L N -0.291 120.874 121.223 -0.097 0.000 1.989 481 L HA -0.134 4.206 4.340 -0.001 0.000 0.211 481 L C 1.320 178.175 176.870 -0.025 0.000 1.071 481 L CA 1.546 56.352 54.840 -0.057 0.000 0.749 481 L CB -0.446 41.586 42.059 -0.045 0.000 0.890 481 L HN 0.501 nan 8.230 nan 0.000 0.431 482 G N -1.321 107.462 108.800 -0.029 0.000 2.244 482 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.163 482 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.163 482 G C -0.201 174.690 174.900 -0.014 0.000 1.064 482 G CA -0.099 44.993 45.100 -0.014 0.000 0.757 482 G HN 0.271 nan 8.290 nan 0.000 0.484 483 D N -0.310 120.076 120.400 -0.023 0.000 2.503 483 D HA 0.225 4.864 4.640 -0.001 0.000 0.218 483 D C 1.051 177.337 176.300 -0.024 0.000 1.183 483 D CA 0.331 54.319 54.000 -0.020 0.000 0.827 483 D CB 1.136 41.924 40.800 -0.020 0.000 1.034 483 D HN 0.282 nan 8.370 nan 0.000 0.510 484 K N 0.307 120.690 120.400 -0.030 0.000 2.228 484 K HA 0.315 4.635 4.320 -0.001 0.000 0.261 484 K C -1.229 175.352 176.600 -0.031 0.000 0.941 484 K CA -0.484 55.784 56.287 -0.032 0.000 0.792 484 K CB 2.022 34.498 32.500 -0.041 0.000 1.495 484 K HN -0.127 nan 8.250 nan 0.000 0.387 485 E N 0.550 120.730 120.200 -0.034 0.000 2.235 485 E HA 0.450 4.799 4.350 -0.001 0.000 0.252 485 E C -0.684 175.891 176.600 -0.042 0.000 0.886 485 E CA -0.464 55.917 56.400 -0.031 0.000 0.767 485 E CB 1.134 30.821 29.700 -0.022 0.000 1.205 485 E HN 0.678 nan 8.360 nan 0.000 0.421 486 G N 2.026 110.797 108.800 -0.049 0.000 2.522 486 G HA2 0.307 4.267 3.960 -0.001 0.000 0.304 486 G HA3 0.307 4.267 3.960 -0.001 0.000 0.304 486 G C 0.199 175.076 174.900 -0.038 0.000 1.210 486 G CA -0.244 44.816 45.100 -0.066 0.000 0.960 486 G HN 0.584 nan 8.290 nan 0.000 0.497 487 S N -0.864 114.813 115.700 -0.039 0.000 2.611 487 S HA 0.008 4.478 4.470 -0.001 0.000 0.252 487 S C 1.193 175.801 174.600 0.013 0.000 1.369 487 S CA 0.734 58.928 58.200 -0.010 0.000 0.975 487 S CB 0.512 63.710 63.200 -0.003 0.000 0.937 487 S HN 0.692 nan 8.310 nan 0.000 0.584 488 E N 0.056 120.268 120.200 0.020 0.000 2.049 488 E HA -0.175 4.174 4.350 -0.001 0.000 0.198 488 E C 2.182 178.818 176.600 0.059 0.000 1.007 488 E CA 1.559 57.977 56.400 0.030 0.000 0.809 488 E CB -0.283 29.431 29.700 0.023 0.000 0.749 488 E HN 0.557 nan 8.360 nan 0.000 0.450 489 M N 0.510 120.157 119.600 0.078 0.000 2.106 489 M HA -0.147 4.332 4.480 -0.001 0.000 0.259 489 M C 2.442 178.876 176.300 0.223 0.000 1.068 489 M CA 1.186 56.570 55.300 0.140 0.000 1.100 489 M CB -0.748 31.947 32.600 0.160 0.000 1.351 489 M HN 0.038 nan 8.290 nan 0.000 0.404 490 V N -0.179 119.845 119.914 0.183 0.000 2.970 490 V HA -0.124 3.996 4.120 -0.001 0.000 0.260 490 V C 2.536 178.683 176.094 0.089 0.000 1.100 490 V CA 1.335 63.721 62.300 0.145 0.000 1.122 490 V CB -1.347 30.429 31.823 -0.079 0.000 0.721 490 V HN 0.445 nan 8.190 nan 0.000 0.483 491 A N 0.304 123.164 122.820 0.067 0.000 1.878 491 A HA -0.071 4.249 4.320 -0.001 0.000 0.213 491 A C 2.264 179.883 177.584 0.058 0.000 1.192 491 A CA 1.073 53.138 52.037 0.046 0.000 0.619 491 A CB -0.273 18.744 19.000 0.028 0.000 0.837 491 A HN 0.475 nan 8.150 nan 0.000 0.446 492 K N 0.202 120.645 120.400 0.072 0.000 2.152 492 K HA -0.077 4.243 4.320 -0.001 0.000 0.206 492 K C 2.127 178.771 176.600 0.072 0.000 1.048 492 K CA 1.147 57.474 56.287 0.066 0.000 0.933 492 K CB -0.277 32.270 32.500 0.078 0.000 0.721 492 K HN 0.436 nan 8.250 nan 0.000 0.447 493 A N 1.791 124.689 122.820 0.131 0.000 1.898 493 A HA -0.144 4.176 4.320 -0.001 0.000 0.214 493 A C 2.074 179.728 177.584 0.116 0.000 1.183 493 A CA 1.245 53.387 52.037 0.175 0.000 0.622 493 A CB -0.273 18.930 19.000 0.340 0.000 0.824 493 A HN 0.197 nan 8.150 nan 0.000 0.444 494 K N -0.016 120.441 120.400 0.094 0.000 2.032 494 K HA -0.228 4.092 4.320 -0.001 0.000 0.209 494 K C 2.037 178.677 176.600 0.066 0.000 1.048 494 K CA 1.818 58.146 56.287 0.068 0.000 0.927 494 K CB -0.222 32.299 32.500 0.035 0.000 0.712 494 K HN 0.584 nan 8.250 nan 0.000 0.441 495 E N -0.342 119.875 120.200 0.028 0.000 2.153 495 E HA -0.197 4.153 4.350 -0.001 0.000 0.194 495 E C 1.621 178.185 176.600 -0.060 0.000 0.988 495 E CA 0.977 57.377 56.400 0.000 0.000 0.811 495 E CB -0.051 29.648 29.700 -0.001 0.000 0.746 495 E HN 0.459 nan 8.360 nan 0.000 0.466 496 A N 1.355 124.088 122.820 -0.144 0.000 1.874 496 A HA -0.146 4.174 4.320 -0.001 0.000 0.214 496 A C 1.977 179.232 177.584 -0.548 0.000 1.189 496 A CA 0.930 52.718 52.037 -0.414 0.000 0.615 496 A CB -1.106 17.498 19.000 -0.661 0.000 0.830 496 A HN 0.688 nan 8.150 nan 0.000 0.443 497 W N 1.335 122.296 121.300 -0.564 0.000 2.425 497 W HA -0.105 4.555 4.660 -0.001 0.000 0.277 497 W C 1.546 177.985 176.519 -0.132 0.000 1.231 497 W CA 1.744 58.925 57.345 -0.274 0.000 1.248 497 W CB -0.102 29.323 29.460 -0.058 0.000 1.117 497 W HN 0.408 nan 8.180 nan 0.000 0.568 498 E N 0.758 121.025 120.200 0.112 0.000 2.005 498 E HA -0.236 4.114 4.350 -0.001 0.000 0.198 498 E C 1.887 178.455 176.600 -0.053 0.000 1.010 498 E CA 1.659 58.092 56.400 0.055 0.000 0.825 498 E CB -0.769 28.956 29.700 0.043 0.000 0.769 498 E HN 0.325 nan 8.360 nan 0.000 0.456 499 K N 0.678 121.028 120.400 -0.084 0.000 2.504 499 K HA 0.089 4.409 4.320 -0.001 0.000 0.195 499 K C 0.739 177.269 176.600 -0.117 0.000 1.036 499 K CA 0.186 56.422 56.287 -0.086 0.000 0.984 499 K CB 0.027 32.484 32.500 -0.072 0.000 0.788 499 K HN 0.009 nan 8.250 nan 0.000 0.488 500 A N 1.776 124.481 122.820 -0.191 0.000 2.520 500 A HA 0.010 4.330 4.320 -0.001 0.000 0.245 500 A C 0.522 177.994 177.584 -0.187 0.000 1.072 500 A CA 0.015 51.929 52.037 -0.204 0.000 0.761 500 A CB 0.362 19.158 19.000 -0.340 0.000 1.004 500 A HN 0.115 nan 8.150 nan 0.000 0.499 501 K N 1.243 121.576 120.400 -0.112 0.000 2.202 501 K HA 0.138 4.458 4.320 -0.001 0.000 0.201 501 K C 0.194 176.737 176.600 -0.095 0.000 1.051 501 K CA 0.847 57.084 56.287 -0.084 0.000 0.977 501 K CB 0.339 32.815 32.500 -0.040 0.000 0.792 501 K HN 0.532 nan 8.250 nan 0.000 0.469 502 N N 0.702 119.346 118.700 -0.094 0.000 2.785 502 N HA 0.168 4.908 4.740 -0.001 0.000 0.224 502 N C -2.974 172.478 175.510 -0.098 0.000 1.448 502 N CA -0.889 52.105 53.050 -0.092 0.000 0.748 502 N CB 1.753 40.219 38.487 -0.036 0.000 1.385 502 N HN 0.001 nan 8.380 nan 0.000 0.538 503 P HA 0.398 nan 4.420 nan 0.000 0.279 503 P C -0.534 176.680 177.300 -0.144 0.000 1.276 503 P CA -0.401 62.571 63.100 -0.214 0.000 0.801 503 P CB 1.960 33.292 31.700 -0.614 0.000 1.127 504 V N 0.596 120.507 119.914 -0.005 0.000 2.841 504 V HA 0.298 4.418 4.120 -0.001 0.000 0.310 504 V C -0.301 175.930 176.094 0.227 0.000 1.090 504 V CA -0.786 61.560 62.300 0.076 0.000 0.930 504 V CB 2.082 33.885 31.823 -0.033 0.000 1.014 504 V HN 0.394 nan 8.190 nan 0.000 0.425 505 L N 5.316 126.686 121.223 0.245 0.000 2.307 505 L HA 0.690 5.029 4.340 -0.001 0.000 0.284 505 L C -0.703 176.177 176.870 0.017 0.000 1.023 505 L CA 0.192 55.147 54.840 0.191 0.000 0.810 505 L CB 1.115 43.282 42.059 0.180 0.000 1.231 505 L HN 0.527 nan 8.230 nan 0.000 0.423 506 I N 6.371 126.931 120.570 -0.016 0.000 2.465 506 I HA 0.553 4.722 4.170 -0.001 0.000 0.291 506 I C -1.313 174.764 176.117 -0.067 0.000 1.014 506 I CA -0.855 60.407 61.300 -0.064 0.000 1.093 506 I CB 1.776 39.737 38.000 -0.064 0.000 1.267 506 I HN 0.453 nan 8.210 nan 0.000 0.431 507 L N 3.326 124.491 121.223 -0.098 0.000 2.612 507 L HA 0.861 5.200 4.340 -0.001 0.000 0.256 507 L C -0.143 176.685 176.870 -0.071 0.000 0.949 507 L CA -0.333 54.459 54.840 -0.079 0.000 0.867 507 L CB 1.256 43.243 42.059 -0.121 0.000 1.417 507 L HN 0.601 nan 8.230 nan 0.000 0.414 508 G N -0.157 108.634 108.800 -0.014 0.000 2.482 508 G HA2 0.565 4.525 3.960 -0.001 0.000 0.184 508 G HA3 0.565 4.525 3.960 -0.001 0.000 0.184 508 G C 0.588 175.510 174.900 0.037 0.000 1.331 508 G CA 0.777 45.880 45.100 0.005 0.000 0.668 508 G HN 0.928 nan 8.290 nan 0.000 0.631 509 A N 0.640 123.504 122.820 0.073 0.000 2.109 509 A HA 0.483 4.803 4.320 -0.001 0.000 0.220 509 A C 2.573 180.233 177.584 0.125 0.000 1.613 509 A CA 1.803 53.899 52.037 0.099 0.000 0.620 509 A CB -1.252 17.832 19.000 0.141 0.000 1.212 509 A HN 0.882 nan 8.150 nan 0.000 0.508 510 G N -0.586 108.319 108.800 0.174 0.000 2.469 510 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.220 510 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.220 510 G C 1.433 176.395 174.900 0.103 0.000 1.136 510 G CA 1.456 46.649 45.100 0.156 0.000 0.759 510 G HN 0.313 nan 8.290 nan 0.000 0.562 511 V N 0.112 120.075 119.914 0.082 0.000 2.307 511 V HA -0.045 4.075 4.120 -0.001 0.000 0.245 511 V C 2.591 178.739 176.094 0.089 0.000 1.045 511 V CA 1.244 63.580 62.300 0.060 0.000 1.024 511 V CB -0.218 31.618 31.823 0.021 0.000 0.651 511 V HN 0.283 nan 8.190 nan 0.000 0.449 512 L N -0.762 120.514 121.223 0.088 0.000 2.558 512 L HA 0.090 4.429 4.340 -0.001 0.000 0.225 512 L C 1.973 178.917 176.870 0.123 0.000 1.128 512 L CA 1.302 56.215 54.840 0.122 0.000 0.868 512 L CB -0.306 41.810 42.059 0.095 0.000 1.006 512 L HN 0.304 nan 8.230 nan 0.000 0.454 513 Q N -0.993 118.872 119.800 0.109 0.000 2.319 513 Q HA 0.069 4.409 4.340 -0.001 0.000 0.209 513 Q C -0.393 175.664 176.000 0.094 0.000 0.884 513 Q CA 0.114 55.981 55.803 0.107 0.000 0.938 513 Q CB 0.460 29.265 28.738 0.112 0.000 1.098 513 Q HN 0.352 nan 8.270 nan 0.000 0.517 514 D N -1.639 118.814 120.400 0.088 0.000 2.440 514 D HA 0.188 4.828 4.640 -0.001 0.000 0.252 514 D C 0.312 176.649 176.300 0.062 0.000 1.180 514 D CA -0.116 53.925 54.000 0.069 0.000 0.894 514 D CB 1.175 42.013 40.800 0.063 0.000 1.111 514 D HN -0.134 nan 8.370 nan 0.000 0.544 515 T N 2.028 116.614 114.554 0.053 0.000 2.685 515 T HA -0.182 4.167 4.350 -0.001 0.000 0.268 515 T C 1.859 176.580 174.700 0.035 0.000 1.034 515 T CA 1.750 63.877 62.100 0.045 0.000 1.149 515 T CB -0.033 68.855 68.868 0.032 0.000 0.860 515 T HN 0.363 nan 8.240 nan 0.000 0.449 516 V N 1.693 121.622 119.914 0.026 0.000 2.214 516 V HA -0.264 3.856 4.120 -0.001 0.000 0.247 516 V C 2.805 178.908 176.094 0.015 0.000 1.051 516 V CA 2.091 64.399 62.300 0.014 0.000 1.003 516 V CB -1.475 30.352 31.823 0.006 0.000 0.635 516 V HN 0.577 nan 8.190 nan 0.000 0.447 517 A N 0.187 123.017 122.820 0.017 0.000 1.849 517 A HA -0.215 4.105 4.320 -0.001 0.000 0.217 517 A C 2.459 180.073 177.584 0.050 0.000 1.202 517 A CA 2.910 54.956 52.037 0.014 0.000 0.629 517 A CB -1.325 17.680 19.000 0.009 0.000 0.834 517 A HN 0.750 nan 8.150 nan 0.000 0.447 518 A N -0.648 122.227 122.820 0.091 0.000 1.997 518 A HA -0.257 4.062 4.320 -0.001 0.000 0.221 518 A C 1.953 179.628 177.584 0.151 0.000 1.172 518 A CA 2.575 54.722 52.037 0.183 0.000 0.645 518 A CB -0.518 18.606 19.000 0.207 0.000 0.813 518 A HN 0.646 nan 8.150 nan 0.000 0.454 519 E N 0.120 120.358 120.200 0.062 0.000 2.076 519 E HA -0.105 4.245 4.350 -0.001 0.000 0.190 519 E C 2.116 178.727 176.600 0.018 0.000 0.979 519 E CA 1.357 57.765 56.400 0.014 0.000 0.807 519 E CB -0.280 29.420 29.700 -0.000 0.000 0.761 519 E HN 0.647 nan 8.360 nan 0.000 0.454 520 R N 0.352 120.863 120.500 0.019 0.000 2.092 520 R HA 0.028 4.367 4.340 -0.001 0.000 0.231 520 R C 2.440 178.752 176.300 0.019 0.000 1.119 520 R CA 1.101 57.203 56.100 0.004 0.000 0.970 520 R CB -0.561 29.727 30.300 -0.019 0.000 0.864 520 R HN 0.210 nan 8.270 nan 0.000 0.440 521 A N 1.858 124.715 122.820 0.062 0.000 1.859 521 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 521 A C 2.171 179.878 177.584 0.206 0.000 1.198 521 A CA 1.632 53.735 52.037 0.110 0.000 0.629 521 A CB -0.632 18.477 19.000 0.182 0.000 0.830 521 A HN 0.224 nan 8.150 nan 0.000 0.446 522 R N -0.507 120.168 120.500 0.292 0.000 2.193 522 R HA -0.039 4.301 4.340 -0.001 0.000 0.229 522 R C 1.978 178.331 176.300 0.089 0.000 1.110 522 R CA 1.110 57.322 56.100 0.187 0.000 0.988 522 R CB -0.357 29.801 30.300 -0.236 0.000 0.871 522 R HN 0.623 nan 8.270 nan 0.000 0.458 523 L N 0.429 121.686 121.223 0.056 0.000 2.007 523 L HA -0.181 4.159 4.340 -0.001 0.000 0.205 523 L C 2.348 179.257 176.870 0.064 0.000 1.073 523 L CA 0.838 55.702 54.840 0.038 0.000 0.744 523 L CB -0.415 41.653 42.059 0.015 0.000 0.898 523 L HN 0.224 nan 8.230 nan 0.000 0.435 524 L N 0.686 121.931 121.223 0.036 0.000 2.021 524 L HA -0.242 4.097 4.340 -0.001 0.000 0.215 524 L C 2.341 179.319 176.870 0.180 0.000 1.074 524 L CA 2.372 57.227 54.840 0.025 0.000 0.760 524 L CB -0.815 41.141 42.059 -0.172 0.000 0.889 524 L HN 0.253 nan 8.230 nan 0.000 0.433 525 A N -2.020 120.920 122.820 0.200 0.000 2.238 525 A HA -0.020 4.300 4.320 -0.001 0.000 0.208 525 A C 2.087 179.815 177.584 0.239 0.000 1.177 525 A CA 0.787 53.024 52.037 0.334 0.000 0.804 525 A CB -0.423 18.770 19.000 0.323 0.000 0.823 525 A HN 0.616 nan 8.150 nan 0.000 0.482 526 E N -0.240 120.060 120.200 0.166 0.000 2.075 526 E HA -0.060 4.290 4.350 -0.001 0.000 0.190 526 E C 2.160 178.825 176.600 0.109 0.000 0.969 526 E CA 0.281 56.749 56.400 0.112 0.000 0.815 526 E CB -0.024 29.716 29.700 0.066 0.000 0.776 526 E HN 0.540 nan 8.360 nan 0.000 0.457 527 R N 1.277 121.848 120.500 0.118 0.000 2.097 527 R HA -0.089 4.251 4.340 -0.001 0.000 0.236 527 R C 1.386 177.760 176.300 0.123 0.000 1.135 527 R CA 1.039 57.204 56.100 0.109 0.000 0.934 527 R CB -0.252 30.116 30.300 0.113 0.000 0.846 527 R HN -0.121 nan 8.270 nan 0.000 0.431 528 K N 1.143 121.657 120.400 0.189 0.000 2.312 528 K HA 0.088 4.408 4.320 -0.001 0.000 0.287 528 K C -0.239 176.433 176.600 0.121 0.000 1.062 528 K CA -0.131 56.241 56.287 0.142 0.000 0.934 528 K CB 1.321 33.923 32.500 0.170 0.000 1.027 528 K HN 0.212 nan 8.250 nan 0.000 0.478 529 G N 3.182 112.018 108.800 0.060 0.000 2.764 529 G HA2 0.296 4.256 3.960 -0.001 0.000 0.278 529 G HA3 0.296 4.256 3.960 -0.001 0.000 0.278 529 G C -0.417 174.511 174.900 0.047 0.000 0.686 529 G CA -0.137 44.997 45.100 0.055 0.000 2.105 529 G HN 0.631 nan 8.290 nan 0.000 0.562 530 A N 2.258 125.136 122.820 0.095 0.000 2.401 530 A HA 0.790 5.110 4.320 -0.001 0.000 0.310 530 A C 0.153 177.820 177.584 0.138 0.000 1.075 530 A CA -0.895 51.196 52.037 0.090 0.000 0.746 530 A CB 1.820 20.865 19.000 0.075 0.000 1.277 530 A HN 0.467 nan 8.150 nan 0.000 0.425 531 K N 0.228 120.689 120.400 0.102 0.000 2.109 531 K HA 0.693 5.012 4.320 -0.001 0.000 0.243 531 K C -0.808 175.856 176.600 0.106 0.000 1.006 531 K CA -0.630 55.719 56.287 0.103 0.000 0.917 531 K CB 1.471 34.010 32.500 0.065 0.000 1.081 531 K HN 0.392 nan 8.250 nan 0.000 0.468 532 V N 1.583 121.548 119.914 0.085 0.000 2.864 532 V HA 0.365 4.485 4.120 -0.001 0.000 0.314 532 V C -0.594 175.482 176.094 -0.030 0.000 1.073 532 V CA -0.988 61.319 62.300 0.012 0.000 0.956 532 V CB 1.772 33.554 31.823 -0.067 0.000 1.023 532 V HN 0.532 nan 8.190 nan 0.000 0.435 533 L N 3.224 124.402 121.223 -0.075 0.000 2.324 533 L HA 0.628 4.968 4.340 -0.001 0.000 0.274 533 L C 0.319 177.120 176.870 -0.115 0.000 1.012 533 L CA -0.524 54.273 54.840 -0.071 0.000 0.859 533 L CB 1.455 43.479 42.059 -0.058 0.000 1.224 533 L HN 0.791 nan 8.230 nan 0.000 0.429 534 A N 5.163 127.915 122.820 -0.112 0.000 2.415 534 A HA 0.457 4.776 4.320 -0.001 0.000 0.309 534 A C 0.551 178.108 177.584 -0.045 0.000 1.356 534 A CA -0.392 51.572 52.037 -0.121 0.000 0.998 534 A CB -0.073 18.873 19.000 -0.090 0.000 1.145 534 A HN 0.800 nan 8.150 nan 0.000 0.545 535 M N 3.695 123.270 119.600 -0.043 0.000 3.709 535 M HA 0.045 4.525 4.480 -0.001 0.000 0.197 535 M C 0.858 177.156 176.300 -0.003 0.000 1.511 535 M CA -0.002 55.289 55.300 -0.016 0.000 1.688 535 M CB -1.115 31.478 32.600 -0.012 0.000 1.109 535 M HN 0.757 nan 8.290 nan 0.000 0.561 536 T N -1.048 113.514 114.554 0.012 0.000 2.933 536 T HA 0.063 4.412 4.350 -0.001 0.000 0.306 536 T C -1.419 173.287 174.700 0.010 0.000 1.045 536 T CA -1.189 60.931 62.100 0.033 0.000 1.143 536 T CB 0.216 69.124 68.868 0.067 0.000 1.003 536 T HN 0.353 nan 8.240 nan 0.000 0.540 537 P HA 0.128 nan 4.420 nan 0.000 0.230 537 P C 0.257 177.507 177.300 -0.082 0.000 1.158 537 P CA 0.316 63.375 63.100 -0.069 0.000 0.769 537 P CB -0.026 31.616 31.700 -0.095 0.000 0.807 538 A N -0.210 122.616 122.820 0.010 0.000 2.276 538 A HA 0.608 4.928 4.320 -0.001 0.000 0.316 538 A C 1.533 179.172 177.584 0.092 0.000 1.229 538 A CA -0.036 52.057 52.037 0.093 0.000 0.851 538 A CB 0.929 20.072 19.000 0.239 0.000 1.165 538 A HN 0.085 nan 8.150 nan 0.000 0.513 539 A N 2.599 125.511 122.820 0.154 0.000 1.841 539 A HA -0.164 4.155 4.320 -0.001 0.000 0.216 539 A C 1.652 179.180 177.584 -0.094 0.000 1.199 539 A CA 2.060 54.086 52.037 -0.019 0.000 0.621 539 A CB -0.531 18.369 19.000 -0.168 0.000 0.835 539 A HN 0.784 nan 8.150 nan 0.000 0.445 540 N N 0.148 118.749 118.700 -0.166 0.000 2.413 540 N HA 0.257 4.997 4.740 -0.001 0.000 0.207 540 N C 1.190 176.573 175.510 -0.212 0.000 1.206 540 N CA 0.774 53.718 53.050 -0.177 0.000 0.832 540 N CB -0.363 37.998 38.487 -0.209 0.000 1.037 540 N HN 0.386 nan 8.380 nan 0.000 0.467 541 A N 0.873 123.613 122.820 -0.133 0.000 1.859 541 A HA -0.240 4.080 4.320 -0.001 0.000 0.218 541 A C 2.197 179.745 177.584 -0.059 0.000 1.209 541 A CA 1.774 53.761 52.037 -0.083 0.000 0.639 541 A CB -0.611 18.455 19.000 0.109 0.000 0.835 541 A HN 0.406 nan 8.150 nan 0.000 0.450 542 R N -0.193 120.316 120.500 0.014 0.000 2.193 542 R HA -0.046 4.294 4.340 -0.001 0.000 0.229 542 R C 1.902 178.228 176.300 0.043 0.000 1.110 542 R CA 1.743 57.891 56.100 0.079 0.000 0.988 542 R CB -0.788 29.565 30.300 0.089 0.000 0.871 542 R HN 0.479 nan 8.270 nan 0.000 0.458 543 G N -0.622 108.141 108.800 -0.061 0.000 2.490 543 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.211 543 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.211 543 G C 1.329 176.126 174.900 -0.172 0.000 1.159 543 G CA 0.102 45.141 45.100 -0.103 0.000 0.819 543 G HN 0.236 nan 8.290 nan 0.000 0.539 544 L N 0.516 121.567 121.223 -0.286 0.000 2.012 544 L HA -0.113 4.227 4.340 -0.001 0.000 0.210 544 L C 2.865 179.612 176.870 -0.204 0.000 1.073 544 L CA 1.453 56.071 54.840 -0.370 0.000 0.748 544 L CB -0.478 41.075 42.059 -0.844 0.000 0.891 544 L HN 0.301 nan 8.230 nan 0.000 0.431 545 E N 0.064 120.199 120.200 -0.108 0.000 2.160 545 E HA -0.239 4.110 4.350 -0.001 0.000 0.195 545 E C 2.136 178.813 176.600 0.129 0.000 0.991 545 E CA 1.176 57.681 56.400 0.175 0.000 0.810 545 E CB -0.178 29.710 29.700 0.315 0.000 0.742 545 E HN 0.522 nan 8.360 nan 0.000 0.466 546 A N 0.439 123.185 122.820 -0.123 0.000 2.168 546 A HA -0.073 4.247 4.320 -0.001 0.000 0.215 546 A C 1.860 179.130 177.584 -0.523 0.000 1.152 546 A CA 0.825 52.409 52.037 -0.754 0.000 0.716 546 A CB 0.016 18.678 19.000 -0.564 0.000 0.794 546 A HN 0.104 nan 8.150 nan 0.000 0.465 547 M N -1.775 117.688 119.600 -0.229 0.000 2.382 547 M HA 0.192 4.672 4.480 -0.001 0.000 0.247 547 M C 1.292 177.564 176.300 -0.047 0.000 1.104 547 M CA 0.835 56.052 55.300 -0.139 0.000 1.030 547 M CB -0.465 32.067 32.600 -0.114 0.000 1.424 547 M HN 0.740 nan 8.290 nan 0.000 0.486 548 G N 1.030 109.837 108.800 0.011 0.000 2.149 548 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.235 548 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.235 548 G C 0.173 175.152 174.900 0.132 0.000 1.018 548 G CA 0.098 45.256 45.100 0.097 0.000 0.728 548 G HN 0.325 nan 8.290 nan 0.000 0.508 549 V N 0.595 120.601 119.914 0.155 0.000 3.067 549 V HA 0.433 4.552 4.120 -0.001 0.000 0.388 549 V C 0.308 176.635 176.094 0.388 0.000 1.330 549 V CA 0.037 62.481 62.300 0.240 0.000 1.501 549 V CB -0.318 31.629 31.823 0.207 0.000 1.382 549 V HN 0.309 nan 8.190 nan 0.000 0.532 550 L N 2.829 124.229 121.223 0.295 0.000 2.346 550 L HA 0.632 4.972 4.340 -0.001 0.000 0.276 550 L C -2.062 174.938 176.870 0.216 0.000 1.006 550 L CA -2.303 52.703 54.840 0.276 0.000 0.817 550 L CB 1.233 43.439 42.059 0.244 0.000 1.272 550 L HN 0.031 nan 8.230 nan 0.000 0.421 551 P HA 0.127 nan 4.420 nan 0.000 0.269 551 P C -0.062 177.324 177.300 0.143 0.000 1.217 551 P CA -0.107 63.111 63.100 0.197 0.000 0.783 551 P CB 0.726 32.547 31.700 0.201 0.000 0.898 552 G N -0.139 108.730 108.800 0.116 0.000 2.606 552 G HA2 0.398 4.358 3.960 -0.001 0.000 0.262 552 G HA3 0.398 4.358 3.960 -0.001 0.000 0.262 552 G C 1.176 176.117 174.900 0.068 0.000 1.394 552 G CA 0.024 45.170 45.100 0.077 0.000 1.044 552 G HN 0.452 nan 8.290 nan 0.000 0.553 553 A N -0.410 122.438 122.820 0.047 0.000 1.903 553 A HA -0.145 4.175 4.320 -0.001 0.000 0.219 553 A C 2.298 179.912 177.584 0.050 0.000 1.191 553 A CA 2.700 54.762 52.037 0.042 0.000 0.638 553 A CB -0.725 18.293 19.000 0.030 0.000 0.823 553 A HN 0.568 nan 8.150 nan 0.000 0.451 554 K N -1.735 118.692 120.400 0.045 0.000 2.013 554 K HA -0.142 4.178 4.320 -0.001 0.000 0.225 554 K C 1.459 178.122 176.600 0.104 0.000 1.056 554 K CA 2.829 59.158 56.287 0.070 0.000 0.971 554 K CB -0.627 31.908 32.500 0.059 0.000 0.731 554 K HN 0.996 nan 8.250 nan 0.000 0.450 555 G N -2.944 105.939 108.800 0.138 0.000 3.006 555 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.195 555 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.195 555 G C -0.037 174.942 174.900 0.133 0.000 1.034 555 G CA 0.122 45.291 45.100 0.115 0.000 0.807 555 G HN 0.650 nan 8.290 nan 0.000 0.469 556 A N 1.492 124.437 122.820 0.208 0.000 2.532 556 A HA 0.505 4.825 4.320 -0.001 0.000 0.269 556 A C 1.062 178.748 177.584 0.170 0.000 1.079 556 A CA 1.555 53.682 52.037 0.151 0.000 0.800 556 A CB -0.512 18.534 19.000 0.077 0.000 1.000 556 A HN 1.982 nan 8.150 nan 0.000 0.522 557 S N 3.389 119.097 115.700 0.013 0.000 2.745 557 S HA 0.510 4.980 4.470 -0.001 0.000 0.292 557 S C 1.109 175.578 174.600 -0.218 0.000 1.133 557 S CA -0.188 57.991 58.200 -0.034 0.000 0.998 557 S CB 0.532 63.660 63.200 -0.121 0.000 1.087 557 S HN 1.197 nan 8.310 nan 0.000 0.551 558 W N 1.409 122.584 121.300 -0.209 0.000 2.480 558 W HA -0.059 4.601 4.660 -0.001 0.000 0.257 558 W C 0.140 176.601 176.519 -0.097 0.000 1.235 558 W CA 1.501 58.709 57.345 -0.229 0.000 1.218 558 W CB -0.906 28.532 29.460 -0.036 0.000 1.131 558 W HN 0.858 nan 8.180 nan 0.000 0.606 559 D N -0.241 119.749 120.400 -0.684 0.000 2.479 559 D HA 0.018 4.658 4.640 -0.001 0.000 0.221 559 D C -0.250 175.802 176.300 -0.413 0.000 1.104 559 D CA -0.096 53.528 54.000 -0.626 0.000 0.849 559 D CB -0.686 39.517 40.800 -0.995 0.000 1.072 559 D HN 0.150 nan 8.370 nan 0.000 0.502 560 E N 3.080 123.079 120.200 -0.334 0.000 2.052 560 E HA 0.198 4.548 4.350 -0.001 0.000 0.283 560 E C -2.228 174.286 176.600 -0.144 0.000 1.071 560 E CA -2.035 54.239 56.400 -0.211 0.000 0.851 560 E CB 1.260 30.868 29.700 -0.153 0.000 1.066 560 E HN 0.123 nan 8.360 nan 0.000 0.396 561 P HA -0.053 nan 4.420 nan 0.000 0.257 561 P C -0.005 177.262 177.300 -0.056 0.000 1.227 561 P CA 0.350 63.409 63.100 -0.069 0.000 0.981 561 P CB 1.011 32.664 31.700 -0.077 0.000 1.044 562 G N 2.845 111.610 108.800 -0.058 0.000 2.535 562 G HA2 0.363 4.322 3.960 -0.001 0.000 0.200 562 G HA3 0.363 4.322 3.960 -0.001 0.000 0.200 562 G C 0.499 175.285 174.900 -0.190 0.000 1.388 562 G CA 0.482 45.520 45.100 -0.103 0.000 0.720 562 G HN 0.618 nan 8.290 nan 0.000 0.598 563 A N -0.399 122.167 122.820 -0.424 0.000 2.339 563 A HA 0.488 4.808 4.320 -0.001 0.000 0.272 563 A C 1.072 178.584 177.584 -0.120 0.000 1.182 563 A CA 0.660 52.464 52.037 -0.388 0.000 0.819 563 A CB 0.130 18.869 19.000 -0.434 0.000 1.115 563 A HN 0.575 nan 8.150 nan 0.000 0.512 564 L N -3.285 117.881 121.223 -0.094 0.000 2.730 564 L HA 0.357 4.696 4.340 -0.001 0.000 0.236 564 L C -0.808 175.831 176.870 -0.385 0.000 1.061 564 L CA 0.726 55.413 54.840 -0.255 0.000 0.898 564 L CB 0.139 41.977 42.059 -0.369 0.000 1.270 564 L HN 0.610 nan 8.230 nan 0.000 0.500 565 Y N -0.129 120.255 120.300 0.139 0.000 2.331 565 Y HA 0.747 5.297 4.550 -0.001 0.000 0.334 565 Y C 0.002 175.971 175.900 0.115 0.000 0.960 565 Y CA -0.784 57.432 58.100 0.194 0.000 1.130 565 Y CB 1.405 39.995 38.460 0.217 0.000 1.164 565 Y HN -0.019 nan 8.280 nan 0.000 0.458 566 A N 2.354 125.303 122.820 0.215 0.000 2.572 566 A HA 0.648 4.968 4.320 -0.001 0.000 0.295 566 A C -2.376 175.196 177.584 -0.020 0.000 1.072 566 A CA -0.835 51.195 52.037 -0.012 0.000 0.691 566 A CB 1.206 20.076 19.000 -0.216 0.000 1.291 566 A HN 0.662 nan 8.150 nan 0.000 0.404 567 Y N 0.926 121.079 120.300 -0.244 0.000 2.320 567 Y HA 0.689 5.239 4.550 -0.001 0.000 0.334 567 Y C -1.673 174.061 175.900 -0.277 0.000 1.055 567 Y CA -0.629 57.386 58.100 -0.143 0.000 1.143 567 Y CB 0.843 39.269 38.460 -0.056 0.000 1.193 567 Y HN 0.546 nan 8.280 nan 0.000 0.477 568 Y N 3.398 123.256 120.300 -0.735 0.000 2.376 568 Y HA 0.440 4.989 4.550 -0.001 0.000 0.340 568 Y C 0.783 176.193 175.900 -0.816 0.000 0.965 568 Y CA -0.755 56.916 58.100 -0.714 0.000 1.078 568 Y CB 2.539 40.665 38.460 -0.556 0.000 1.193 568 Y HN 0.851 nan 8.280 nan 0.000 0.452 569 G N 2.899 111.561 108.800 -0.230 0.000 3.371 569 G HA2 0.354 4.313 3.960 -0.001 0.000 0.248 569 G HA3 0.354 4.313 3.960 -0.001 0.000 0.248 569 G C -0.433 174.707 174.900 0.401 0.000 1.161 569 G CA 0.159 45.353 45.100 0.158 0.000 0.796 569 G HN 0.492 nan 8.290 nan 0.000 0.539 570 F N -3.021 116.976 119.950 0.079 0.000 3.559 570 F HA 0.644 5.170 4.527 -0.001 0.000 0.329 570 F C -1.432 174.365 175.800 -0.004 0.000 1.128 570 F CA -1.779 56.253 58.000 0.053 0.000 0.859 570 F CB 0.978 40.017 39.000 0.064 0.000 1.590 570 F HN -0.222 nan 8.300 nan 0.000 0.504 571 V N 2.687 122.687 119.914 0.143 0.000 2.313 571 V HA 0.503 4.623 4.120 -0.001 0.000 0.278 571 V C -2.237 173.860 176.094 0.004 0.000 1.017 571 V CA -1.423 60.812 62.300 -0.108 0.000 0.823 571 V CB 0.758 32.529 31.823 -0.087 0.000 1.010 571 V HN 0.578 nan 8.190 nan 0.000 0.443 572 P HA 0.383 nan 4.420 nan 0.000 0.293 572 P C -2.715 174.514 177.300 -0.118 0.000 1.304 572 P CA -1.811 61.247 63.100 -0.071 0.000 0.767 572 P CB -0.206 31.194 31.700 -0.500 0.000 1.247 573 P HA -0.007 nan 4.420 nan 0.000 0.265 573 P C 0.657 177.752 177.300 -0.341 0.000 1.193 573 P CA 0.337 63.252 63.100 -0.308 0.000 0.765 573 P CB 0.536 31.912 31.700 -0.539 0.000 0.823 574 E N 1.850 121.839 120.200 -0.352 0.000 2.273 574 E HA -0.274 4.076 4.350 -0.001 0.000 0.198 574 E C 1.371 177.787 176.600 -0.307 0.000 1.002 574 E CA 1.175 57.333 56.400 -0.402 0.000 0.828 574 E CB 0.070 29.536 29.700 -0.390 0.000 0.747 574 E HN 0.363 nan 8.360 nan 0.000 0.491 575 E N -0.403 119.632 120.200 -0.275 0.000 2.274 575 E HA -0.034 4.316 4.350 -0.001 0.000 0.194 575 E C 1.392 177.888 176.600 -0.174 0.000 0.996 575 E CA 1.037 57.311 56.400 -0.209 0.000 0.840 575 E CB 0.008 29.565 29.700 -0.238 0.000 0.772 575 E HN 0.356 nan 8.360 nan 0.000 0.491 576 A N -0.244 122.453 122.820 -0.204 0.000 2.095 576 A HA 0.089 4.408 4.320 -0.001 0.000 0.212 576 A C 1.668 179.198 177.584 -0.090 0.000 1.162 576 A CA 0.165 52.118 52.037 -0.140 0.000 0.753 576 A CB -0.044 18.867 19.000 -0.147 0.000 0.840 576 A HN 0.204 nan 8.150 nan 0.000 0.468 577 L N 0.047 121.174 121.223 -0.160 0.000 2.022 577 L HA 0.047 4.386 4.340 -0.001 0.000 0.204 577 L C 1.293 178.204 176.870 0.069 0.000 1.076 577 L CA 1.172 55.961 54.840 -0.085 0.000 0.749 577 L CB -1.408 40.539 42.059 -0.186 0.000 0.903 577 L HN 0.380 nan 8.230 nan 0.000 0.439 578 K N 0.309 120.802 120.400 0.156 0.000 2.404 578 K HA 0.043 4.363 4.320 -0.001 0.000 0.271 578 K C 0.903 177.540 176.600 0.061 0.000 1.130 578 K CA 0.897 57.314 56.287 0.215 0.000 1.181 578 K CB -0.051 32.586 32.500 0.228 0.000 0.840 578 K HN 0.516 nan 8.250 nan 0.000 0.483 579 G N 3.963 112.779 108.800 0.028 0.000 3.102 579 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.200 579 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.200 579 G C -0.547 174.359 174.900 0.009 0.000 1.685 579 G CA -0.216 44.887 45.100 0.005 0.000 1.299 579 G HN 0.610 nan 8.290 nan 0.000 0.576 580 K N 1.070 121.479 120.400 0.016 0.000 2.616 580 K HA -0.009 4.311 4.320 -0.001 0.000 0.276 580 K C 1.534 178.168 176.600 0.056 0.000 0.979 580 K CA 0.846 57.142 56.287 0.014 0.000 1.055 580 K CB 0.430 32.967 32.500 0.061 0.000 0.826 580 K HN 0.459 nan 8.250 nan 0.000 0.490 581 R N 0.794 121.284 120.500 -0.016 0.000 2.080 581 R HA 0.036 4.376 4.340 -0.001 0.000 0.222 581 R C 0.239 176.786 176.300 0.413 0.000 1.107 581 R CA 0.761 56.910 56.100 0.081 0.000 0.980 581 R CB 0.129 30.336 30.300 -0.156 0.000 0.879 581 R HN 0.411 nan 8.270 nan 0.000 0.439 582 F N 0.931 121.051 119.950 0.282 0.000 2.547 582 F HA 0.339 4.866 4.527 -0.001 0.000 0.316 582 F C -0.818 175.226 175.800 0.406 0.000 1.121 582 F CA -1.618 56.679 58.000 0.495 0.000 0.911 582 F CB 1.684 41.018 39.000 0.557 0.000 1.179 582 F HN -0.285 nan 8.300 nan 0.000 0.443 583 V N 4.375 124.217 119.914 -0.120 0.000 2.588 583 V HA 0.855 4.975 4.120 -0.001 0.000 0.304 583 V C -1.271 174.585 176.094 -0.396 0.000 1.042 583 V CA -0.947 61.243 62.300 -0.183 0.000 0.877 583 V CB 1.190 32.924 31.823 -0.149 0.000 0.996 583 V HN 0.793 nan 8.190 nan 0.000 0.425 584 V N 2.865 122.686 119.914 -0.156 0.000 2.380 584 V HA 0.628 4.748 4.120 -0.001 0.000 0.286 584 V C -0.244 175.876 176.094 0.043 0.000 1.015 584 V CA -0.646 61.613 62.300 -0.068 0.000 0.834 584 V CB 1.237 33.090 31.823 0.051 0.000 1.009 584 V HN 0.924 nan 8.190 nan 0.000 0.428 585 M N 4.449 124.059 119.600 0.017 0.000 2.113 585 M HA 0.430 4.909 4.480 -0.001 0.000 0.352 585 M C -0.042 176.342 176.300 0.140 0.000 1.170 585 M CA -0.173 55.140 55.300 0.022 0.000 1.053 585 M CB 0.990 33.567 32.600 -0.039 0.000 1.601 585 M HN 0.840 nan 8.290 nan 0.000 0.459 586 H N 4.606 123.693 119.070 0.029 0.000 2.508 586 H HA 0.428 4.984 4.556 -0.001 0.000 0.224 586 H C -0.846 174.577 175.328 0.158 0.000 1.723 586 H CA -0.406 55.744 56.048 0.170 0.000 1.251 586 H CB 0.427 30.423 29.762 0.389 0.000 1.627 586 H HN 0.673 nan 8.280 nan 0.000 0.543 587 L N 0.632 121.917 121.223 0.103 0.000 2.543 587 L HA 0.074 4.414 4.340 -0.001 0.000 0.231 587 L C 1.516 178.425 176.870 0.065 0.000 1.194 587 L CA 0.267 55.158 54.840 0.085 0.000 0.823 587 L CB 1.157 43.287 42.059 0.118 0.000 1.374 587 L HN 0.471 nan 8.230 nan 0.000 0.507 588 S N -2.962 112.839 115.700 0.168 0.000 2.613 588 S HA 0.196 4.666 4.470 -0.001 0.000 0.235 588 S C 0.284 174.966 174.600 0.136 0.000 1.073 588 S CA -0.384 57.920 58.200 0.173 0.000 0.899 588 S CB 0.116 63.492 63.200 0.293 0.000 0.818 588 S HN 0.605 nan 8.310 nan 0.000 0.484 589 H N 0.205 119.355 119.070 0.133 0.000 2.676 589 H HA 0.720 5.275 4.556 -0.001 0.000 0.352 589 H C -1.238 174.148 175.328 0.096 0.000 1.193 589 H CA -0.936 55.188 56.048 0.126 0.000 1.243 589 H CB 1.000 30.855 29.762 0.156 0.000 1.751 589 H HN 0.164 nan 8.280 nan 0.000 0.567 590 L N 2.401 123.747 121.223 0.204 0.000 2.264 590 L HA 0.191 4.530 4.340 -0.001 0.000 0.287 590 L C -0.397 176.551 176.870 0.131 0.000 1.039 590 L CA -0.245 54.679 54.840 0.140 0.000 0.829 590 L CB -0.384 41.732 42.059 0.094 0.000 1.211 590 L HN 0.606 nan 8.230 nan 0.000 0.427 591 H N 6.180 125.278 119.070 0.047 0.000 2.615 591 H HA 0.253 4.808 4.556 -0.001 0.000 0.363 591 H C -1.935 173.392 175.328 -0.003 0.000 1.148 591 H CA -1.787 54.268 56.048 0.012 0.000 1.401 591 H CB 1.645 31.395 29.762 -0.021 0.000 1.461 591 H HN 0.436 nan 8.280 nan 0.000 0.588 592 P HA -0.113 nan 4.420 nan 0.000 0.218 592 P C 1.694 179.094 177.300 0.167 0.000 1.149 592 P CA 0.545 63.785 63.100 0.233 0.000 0.817 592 P CB 0.417 32.211 31.700 0.158 0.000 0.785 593 L N -1.551 119.731 121.223 0.099 0.000 2.622 593 L HA 0.006 4.346 4.340 -0.001 0.000 0.233 593 L C 1.726 178.471 176.870 -0.208 0.000 1.156 593 L CA 1.256 55.935 54.840 -0.269 0.000 0.866 593 L CB -1.160 40.509 42.059 -0.650 0.000 0.980 593 L HN -0.003 nan 8.230 nan 0.000 0.448 594 A N 0.086 122.866 122.820 -0.067 0.000 1.984 594 A HA -0.033 4.286 4.320 -0.001 0.000 0.203 594 A C 1.773 179.361 177.584 0.007 0.000 1.292 594 A CA 0.183 52.190 52.037 -0.050 0.000 0.782 594 A CB -0.056 18.933 19.000 -0.019 0.000 0.924 594 A HN 0.486 nan 8.150 nan 0.000 0.475 595 E N -0.087 120.139 120.200 0.043 0.000 2.533 595 E HA -0.055 4.294 4.350 -0.001 0.000 0.201 595 E C 1.091 177.725 176.600 0.058 0.000 1.097 595 E CA 0.606 57.035 56.400 0.047 0.000 0.887 595 E CB -0.131 29.602 29.700 0.055 0.000 0.855 595 E HN 0.599 nan 8.360 nan 0.000 0.540 596 R N -1.419 119.136 120.500 0.092 0.000 2.635 596 R HA 0.155 4.495 4.340 -0.001 0.000 0.241 596 R C 0.197 176.601 176.300 0.172 0.000 0.941 596 R CA 0.047 56.234 56.100 0.145 0.000 1.014 596 R CB 0.506 30.937 30.300 0.218 0.000 1.517 596 R HN 0.096 nan 8.270 nan 0.000 0.594 597 Y N -0.034 120.182 120.300 -0.140 0.000 2.626 597 Y HA 0.512 5.061 4.550 -0.001 0.000 0.248 597 Y C 0.232 175.929 175.900 -0.337 0.000 1.147 597 Y CA -1.035 56.941 58.100 -0.207 0.000 1.219 597 Y CB 1.154 39.493 38.460 -0.203 0.000 1.279 597 Y HN -0.031 nan 8.280 nan 0.000 0.541 598 A N -1.017 121.711 122.820 -0.152 0.000 2.325 598 A HA 0.557 4.876 4.320 -0.001 0.000 0.333 598 A C -0.154 177.280 177.584 -0.251 0.000 1.155 598 A CA -0.277 51.611 52.037 -0.249 0.000 0.814 598 A CB 0.619 19.546 19.000 -0.123 0.000 1.206 598 A HN 0.535 nan 8.150 nan 0.000 0.482 599 H N 0.324 119.328 119.070 -0.109 0.000 2.460 599 H HA 0.305 4.861 4.556 -0.001 0.000 0.297 599 H C -0.516 174.782 175.328 -0.051 0.000 1.023 599 H CA 0.487 56.492 56.048 -0.072 0.000 1.321 599 H CB 0.871 30.573 29.762 -0.101 0.000 1.455 599 H HN 0.304 nan 8.280 nan 0.000 0.539 600 V N 2.557 122.452 119.914 -0.032 0.000 2.445 600 V HA 0.191 4.311 4.120 -0.001 0.000 0.283 600 V C -0.767 175.319 176.094 -0.013 0.000 1.014 600 V CA -0.720 61.585 62.300 0.008 0.000 0.852 600 V CB 1.794 33.663 31.823 0.076 0.000 1.021 600 V HN 0.006 nan 8.190 nan 0.000 0.435 601 V N 6.240 126.151 119.914 -0.005 0.000 2.465 601 V HA 0.545 4.665 4.120 -0.001 0.000 0.279 601 V C -0.327 175.774 176.094 0.011 0.000 1.045 601 V CA -0.481 61.830 62.300 0.019 0.000 0.938 601 V CB 1.459 33.294 31.823 0.020 0.000 0.986 601 V HN 0.595 nan 8.190 nan 0.000 0.467 602 L N 7.354 128.640 121.223 0.106 0.000 2.381 602 L HA 0.532 4.871 4.340 -0.001 0.000 0.274 602 L C -2.383 174.671 176.870 0.307 0.000 0.988 602 L CA -1.647 53.273 54.840 0.133 0.000 0.824 602 L CB 2.097 44.256 42.059 0.167 0.000 1.263 602 L HN 0.401 nan 8.230 nan 0.000 0.410 603 P HA 0.148 nan 4.420 nan 0.000 0.262 603 P C -0.945 176.521 177.300 0.277 0.000 1.182 603 P CA 0.083 63.315 63.100 0.220 0.000 0.761 603 P CB 0.922 32.756 31.700 0.224 0.000 0.795 604 A N 5.455 128.302 122.820 0.045 0.000 2.413 604 A HA 0.809 5.129 4.320 -0.001 0.000 0.307 604 A C -2.656 174.935 177.584 0.011 0.000 1.087 604 A CA -1.888 50.077 52.037 -0.120 0.000 0.750 604 A CB 1.431 20.027 19.000 -0.674 0.000 1.296 604 A HN 0.349 nan 8.150 nan 0.000 0.423 605 P HA 0.324 nan 4.420 nan 0.000 0.281 605 P C 0.139 177.480 177.300 0.069 0.000 1.249 605 P CA 0.045 63.174 63.100 0.049 0.000 0.810 605 P CB 1.071 32.797 31.700 0.044 0.000 1.008 606 T N -0.729 113.867 114.554 0.070 0.000 2.726 606 T HA 0.134 4.484 4.350 -0.001 0.000 0.294 606 T C 1.286 176.004 174.700 0.030 0.000 1.013 606 T CA -0.363 61.795 62.100 0.097 0.000 0.996 606 T CB -0.178 68.702 68.868 0.021 0.000 1.016 606 T HN 0.431 nan 8.240 nan 0.000 0.529 607 F N -1.106 118.822 119.950 -0.037 0.000 2.365 607 F HA 0.078 4.604 4.527 -0.001 0.000 0.300 607 F C 1.822 177.584 175.800 -0.064 0.000 1.090 607 F CA 0.149 58.091 58.000 -0.097 0.000 1.408 607 F CB -1.062 37.832 39.000 -0.176 0.000 1.060 607 F HN 0.431 nan 8.300 nan 0.000 0.534 608 Y N 2.058 121.875 120.300 -0.804 0.000 2.274 608 Y HA -0.108 4.442 4.550 -0.001 0.000 0.290 608 Y C 1.833 177.581 175.900 -0.253 0.000 1.145 608 Y CA 1.171 58.926 58.100 -0.575 0.000 1.203 608 Y CB -0.781 37.304 38.460 -0.624 0.000 0.984 608 Y HN 0.443 nan 8.280 nan 0.000 0.533 609 E N -0.765 119.411 120.200 -0.041 0.000 2.685 609 E HA 0.203 4.552 4.350 -0.001 0.000 0.208 609 E C 0.067 176.656 176.600 -0.017 0.000 0.996 609 E CA -0.197 56.186 56.400 -0.028 0.000 1.054 609 E CB 0.339 30.020 29.700 -0.032 0.000 1.075 609 E HN 0.169 nan 8.360 nan 0.000 0.460 610 K N 1.304 121.700 120.400 -0.007 0.000 2.502 610 K HA 0.501 4.820 4.320 -0.001 0.000 0.252 610 K C -0.213 176.360 176.600 -0.045 0.000 1.043 610 K CA -0.893 55.390 56.287 -0.007 0.000 0.999 610 K CB 1.424 33.941 32.500 0.030 0.000 1.343 610 K HN -0.008 nan 8.250 nan 0.000 0.513 611 R N -0.533 119.913 120.500 -0.090 0.000 2.563 611 R HA 0.409 4.749 4.340 -0.001 0.000 0.262 611 R C -0.974 175.159 176.300 -0.278 0.000 1.128 611 R CA -0.019 55.961 56.100 -0.199 0.000 0.969 611 R CB 1.409 31.530 30.300 -0.299 0.000 1.251 611 R HN 0.849 nan 8.270 nan 0.000 0.442 612 G N 2.456 111.079 108.800 -0.295 0.000 2.291 612 G HA2 0.095 4.055 3.960 -0.001 0.000 0.249 612 G HA3 0.095 4.055 3.960 -0.001 0.000 0.249 612 G C -1.846 172.906 174.900 -0.248 0.000 1.340 612 G CA -0.753 44.154 45.100 -0.321 0.000 1.017 612 G HN 0.628 nan 8.290 nan 0.000 0.470 613 H N -0.938 118.164 119.070 0.053 0.000 2.771 613 H HA 0.888 5.444 4.556 -0.001 0.000 0.367 613 H C -0.489 174.832 175.328 -0.011 0.000 1.172 613 H CA -0.423 55.639 56.048 0.024 0.000 1.186 613 H CB 1.578 31.359 29.762 0.031 0.000 1.790 613 H HN 0.483 nan 8.280 nan 0.000 0.556 614 L N 0.112 121.407 121.223 0.120 0.000 2.277 614 L HA 0.581 4.921 4.340 -0.001 0.000 0.254 614 L C -0.574 176.302 176.870 0.011 0.000 1.044 614 L CA -0.892 53.962 54.840 0.022 0.000 0.842 614 L CB 2.113 44.163 42.059 -0.014 0.000 1.422 614 L HN 0.327 nan 8.230 nan 0.000 0.422 615 V N 0.511 120.412 119.914 -0.021 0.000 2.638 615 V HA 0.468 4.588 4.120 -0.001 0.000 0.306 615 V C -0.396 175.691 176.094 -0.012 0.000 1.052 615 V CA -0.937 61.356 62.300 -0.013 0.000 0.885 615 V CB 1.701 33.517 31.823 -0.011 0.000 0.999 615 V HN 0.661 nan 8.190 nan 0.000 0.424 616 N N 2.031 120.731 118.700 0.000 0.000 2.424 616 N HA 0.218 4.957 4.740 -0.001 0.000 0.257 616 N C 1.170 176.688 175.510 0.013 0.000 1.250 616 N CA -0.299 52.752 53.050 0.002 0.000 0.946 616 N CB 1.553 40.044 38.487 0.006 0.000 1.175 616 N HN 0.865 nan 8.380 nan 0.000 0.477 617 L N 0.204 121.433 121.223 0.010 0.000 2.549 617 L HA -0.005 4.335 4.340 -0.001 0.000 0.230 617 L C 0.986 177.868 176.870 0.022 0.000 1.162 617 L CA 1.320 56.170 54.840 0.017 0.000 0.834 617 L CB -0.177 41.886 42.059 0.006 0.000 0.947 617 L HN 0.618 nan 8.230 nan 0.000 0.452 618 E N -0.835 119.378 120.200 0.021 0.000 2.526 618 E HA 0.309 4.658 4.350 -0.001 0.000 0.208 618 E C 1.211 177.833 176.600 0.035 0.000 0.997 618 E CA 0.247 56.662 56.400 0.025 0.000 0.961 618 E CB 0.595 30.304 29.700 0.015 0.000 1.030 618 E HN 0.313 nan 8.360 nan 0.000 0.483 619 G N 1.898 110.722 108.800 0.040 0.000 2.141 619 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.242 619 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.242 619 G C 0.111 175.030 174.900 0.031 0.000 0.982 619 G CA 0.164 45.294 45.100 0.049 0.000 0.662 619 G HN 0.301 nan 8.290 nan 0.000 0.527 620 R N 0.391 120.902 120.500 0.018 0.000 2.357 620 R HA 0.530 4.869 4.340 -0.001 0.000 0.296 620 R C 0.811 177.109 176.300 -0.004 0.000 1.052 620 R CA 0.010 56.114 56.100 0.006 0.000 0.988 620 R CB 0.996 31.299 30.300 0.005 0.000 1.025 620 R HN 0.599 nan 8.270 nan 0.000 0.469 621 V N 4.630 124.532 119.914 -0.020 0.000 2.368 621 V HA 0.378 4.498 4.120 -0.001 0.000 0.266 621 V C -0.217 175.846 176.094 -0.050 0.000 1.045 621 V CA -0.578 61.700 62.300 -0.036 0.000 0.899 621 V CB 0.546 32.329 31.823 -0.066 0.000 1.006 621 V HN 0.553 nan 8.190 nan 0.000 0.470 622 L N 7.205 128.423 121.223 -0.010 0.000 2.331 622 L HA 0.670 5.010 4.340 -0.001 0.000 0.275 622 L C -2.235 174.680 176.870 0.075 0.000 1.022 622 L CA -1.950 52.897 54.840 0.012 0.000 0.812 622 L CB 2.581 44.654 42.059 0.023 0.000 1.257 622 L HN 0.422 nan 8.230 nan 0.000 0.435 623 P HA 0.315 nan 4.420 nan 0.000 0.292 623 P C -1.224 176.159 177.300 0.138 0.000 1.283 623 P CA -0.476 62.752 63.100 0.213 0.000 0.835 623 P CB 1.931 33.734 31.700 0.171 0.000 1.017 624 L N 2.025 123.322 121.223 0.123 0.000 2.287 624 L HA 0.349 4.688 4.340 -0.001 0.000 0.287 624 L C 0.446 177.332 176.870 0.026 0.000 1.022 624 L CA -0.222 54.663 54.840 0.075 0.000 0.814 624 L CB 1.439 43.533 42.059 0.058 0.000 1.217 624 L HN 0.380 nan 8.230 nan 0.000 0.420 625 S N 4.443 120.162 115.700 0.032 0.000 2.578 625 S HA 0.573 5.042 4.470 -0.001 0.000 0.301 625 S C -2.532 172.066 174.600 -0.004 0.000 1.091 625 S CA -1.129 57.070 58.200 -0.003 0.000 1.032 625 S CB 2.013 65.217 63.200 0.006 0.000 1.064 625 S HN 0.379 nan 8.310 nan 0.000 0.508 626 P HA 0.332 nan 4.420 nan 0.000 0.291 626 P C -1.204 176.075 177.300 -0.035 0.000 1.340 626 P CA -0.296 62.784 63.100 -0.034 0.000 0.799 626 P CB 0.636 32.305 31.700 -0.050 0.000 0.917 627 A N 6.393 129.189 122.820 -0.039 0.000 2.388 627 A HA 0.427 4.746 4.320 -0.001 0.000 0.257 627 A C -1.817 175.730 177.584 -0.062 0.000 1.095 627 A CA -1.496 50.504 52.037 -0.061 0.000 0.791 627 A CB -0.686 18.256 19.000 -0.097 0.000 1.029 627 A HN 0.344 nan 8.150 nan 0.000 0.489 628 P HA 0.127 nan 4.420 nan 0.000 0.249 628 P C -0.492 176.771 177.300 -0.062 0.000 1.686 628 P CA 0.299 63.367 63.100 -0.054 0.000 0.873 628 P CB -0.620 31.050 31.700 -0.048 0.000 1.828 629 I N -0.791 119.736 120.570 -0.071 0.000 3.021 629 I HA 0.169 4.339 4.170 -0.001 0.000 0.303 629 I C 1.094 177.177 176.117 -0.056 0.000 1.044 629 I CA -0.958 60.294 61.300 -0.080 0.000 1.266 629 I CB 0.522 38.460 38.000 -0.103 0.000 1.447 629 I HN -0.139 nan 8.210 nan 0.000 0.593 630 E N 3.306 123.473 120.200 -0.054 0.000 1.985 630 E HA -0.024 4.325 4.350 -0.001 0.000 0.268 630 E C 0.702 177.285 176.600 -0.028 0.000 1.219 630 E CA -0.051 56.327 56.400 -0.036 0.000 0.942 630 E CB -0.063 29.617 29.700 -0.033 0.000 1.045 630 E HN 0.517 nan 8.360 nan 0.000 0.413 631 N N 3.994 122.686 118.700 -0.014 0.000 2.446 631 N HA -0.015 4.725 4.740 -0.001 0.000 0.179 631 N C 1.136 176.664 175.510 0.031 0.000 1.054 631 N CA 0.622 53.675 53.050 0.005 0.000 0.905 631 N CB -0.211 38.281 38.487 0.008 0.000 0.973 631 N HN 0.470 nan 8.380 nan 0.000 0.448 632 G N 1.754 110.571 108.800 0.028 0.000 2.566 632 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.280 632 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.280 632 G C -0.281 174.669 174.900 0.084 0.000 1.225 632 G CA 0.250 45.382 45.100 0.053 0.000 0.966 632 G HN 0.386 nan 8.290 nan 0.000 0.560 633 E N 1.695 121.981 120.200 0.144 0.000 2.422 633 E HA 0.453 4.803 4.350 -0.001 0.000 0.267 633 E C 0.843 177.639 176.600 0.326 0.000 1.466 633 E CA 0.261 56.795 56.400 0.224 0.000 1.767 633 E CB -0.233 29.669 29.700 0.337 0.000 1.471 633 E HN 0.764 nan 8.360 nan 0.000 0.446 634 A N 1.511 124.452 122.820 0.202 0.000 2.304 634 A HA 0.383 4.703 4.320 -0.001 0.000 0.301 634 A C 0.001 177.668 177.584 0.138 0.000 1.132 634 A CA -0.488 51.699 52.037 0.251 0.000 0.819 634 A CB 0.854 19.954 19.000 0.166 0.000 1.094 634 A HN 0.118 nan 8.150 nan 0.000 0.492 635 E N 0.798 121.128 120.200 0.217 0.000 2.272 635 E HA 0.445 4.795 4.350 -0.001 0.000 0.269 635 E C 0.113 176.850 176.600 0.228 0.000 0.877 635 E CA -0.465 55.963 56.400 0.046 0.000 0.755 635 E CB 1.918 31.431 29.700 -0.312 0.000 1.192 635 E HN 0.863 nan 8.360 nan 0.000 0.422 636 G N 0.788 109.669 108.800 0.135 0.000 2.554 636 G HA2 0.208 4.167 3.960 -0.001 0.000 0.238 636 G HA3 0.208 4.167 3.960 -0.001 0.000 0.238 636 G C 0.980 176.049 174.900 0.282 0.000 1.259 636 G CA 0.303 45.516 45.100 0.189 0.000 0.843 636 G HN 0.520 nan 8.290 nan 0.000 0.582 637 A N 1.537 124.585 122.820 0.380 0.000 2.131 637 A HA -0.084 4.236 4.320 -0.001 0.000 0.220 637 A C 2.253 179.881 177.584 0.073 0.000 1.158 637 A CA 1.565 53.799 52.037 0.327 0.000 0.665 637 A CB -0.296 18.948 19.000 0.408 0.000 0.795 637 A HN 0.731 nan 8.150 nan 0.000 0.460 638 L N -0.867 120.386 121.223 0.051 0.000 2.083 638 L HA -0.150 4.190 4.340 -0.001 0.000 0.209 638 L C 2.364 179.222 176.870 -0.019 0.000 1.083 638 L CA 2.570 57.403 54.840 -0.012 0.000 0.752 638 L CB -0.514 41.544 42.059 -0.001 0.000 0.899 638 L HN 0.489 nan 8.230 nan 0.000 0.433 639 Q N -1.224 118.566 119.800 -0.016 0.000 2.061 639 Q HA -0.074 4.266 4.340 -0.001 0.000 0.195 639 Q C 2.134 178.094 176.000 -0.067 0.000 0.967 639 Q CA 2.019 57.788 55.803 -0.058 0.000 0.829 639 Q CB -0.418 28.257 28.738 -0.105 0.000 0.900 639 Q HN 0.310 nan 8.270 nan 0.000 0.450 640 V N 0.916 120.795 119.914 -0.059 0.000 2.380 640 V HA -0.290 3.830 4.120 -0.001 0.000 0.251 640 V C 2.301 178.300 176.094 -0.158 0.000 1.063 640 V CA 1.741 63.984 62.300 -0.095 0.000 1.055 640 V CB -0.576 31.001 31.823 -0.411 0.000 0.657 640 V HN 0.406 nan 8.190 nan 0.000 0.455 641 L N -0.405 120.692 121.223 -0.209 0.000 2.056 641 L HA -0.139 4.201 4.340 -0.001 0.000 0.207 641 L C 2.669 179.478 176.870 -0.101 0.000 1.078 641 L CA 1.599 56.295 54.840 -0.239 0.000 0.749 641 L CB -0.681 41.241 42.059 -0.228 0.000 0.901 641 L HN 0.390 nan 8.230 nan 0.000 0.433 642 A N -0.512 122.275 122.820 -0.056 0.000 2.019 642 A HA -0.210 4.109 4.320 -0.001 0.000 0.219 642 A C 2.110 179.681 177.584 -0.022 0.000 1.164 642 A CA 1.328 53.355 52.037 -0.017 0.000 0.644 642 A CB -0.463 18.532 19.000 -0.009 0.000 0.805 642 A HN 0.343 nan 8.150 nan 0.000 0.449 643 L N -0.915 120.288 121.223 -0.033 0.000 2.240 643 L HA 0.133 4.472 4.340 -0.001 0.000 0.211 643 L C 1.922 178.883 176.870 0.152 0.000 1.106 643 L CA 1.349 56.176 54.840 -0.022 0.000 0.793 643 L CB -0.128 41.927 42.059 -0.007 0.000 0.927 643 L HN 0.508 nan 8.230 nan 0.000 0.446 644 L N -1.989 119.292 121.223 0.097 0.000 2.607 644 L HA 0.358 4.698 4.340 -0.001 0.000 0.228 644 L C 1.757 178.674 176.870 0.080 0.000 1.123 644 L CA 0.702 55.614 54.840 0.121 0.000 0.890 644 L CB -0.061 42.035 42.059 0.062 0.000 1.103 644 L HN 0.119 nan 8.230 nan 0.000 0.468 645 A N -0.481 122.376 122.820 0.061 0.000 2.044 645 A HA 0.025 4.345 4.320 -0.001 0.000 0.213 645 A C 2.034 179.661 177.584 0.072 0.000 1.169 645 A CA 0.499 52.565 52.037 0.049 0.000 0.724 645 A CB -0.107 18.913 19.000 0.033 0.000 0.840 645 A HN 0.496 nan 8.150 nan 0.000 0.463 646 E N 0.145 120.413 120.200 0.113 0.000 2.028 646 E HA -0.102 4.247 4.350 -0.001 0.000 0.191 646 E C 1.992 178.680 176.600 0.147 0.000 0.988 646 E CA 0.947 57.437 56.400 0.150 0.000 0.799 646 E CB -0.219 29.625 29.700 0.240 0.000 0.755 646 E HN 0.534 nan 8.360 nan 0.000 0.447 647 A N 0.538 123.472 122.820 0.190 0.000 2.277 647 A HA -0.067 4.253 4.320 -0.001 0.000 0.208 647 A C 1.569 179.153 177.584 0.001 0.000 1.202 647 A CA 0.751 52.819 52.037 0.051 0.000 0.762 647 A CB -0.208 18.810 19.000 0.030 0.000 0.770 647 A HN 0.179 nan 8.150 nan 0.000 0.487 648 L N -2.894 118.345 121.223 0.026 0.000 3.135 648 L HA 0.336 4.676 4.340 -0.001 0.000 0.279 648 L C 1.416 178.290 176.870 0.006 0.000 1.200 648 L CA 0.451 55.292 54.840 0.002 0.000 1.016 648 L CB 0.387 42.457 42.059 0.018 0.000 1.391 648 L HN 0.548 nan 8.230 nan 0.000 0.588 649 G N 0.278 109.088 108.800 0.016 0.000 2.992 649 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.229 649 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.229 649 G C 0.060 174.973 174.900 0.023 0.000 1.969 649 G CA -0.187 44.921 45.100 0.014 0.000 1.603 649 G HN -0.118 nan 8.290 nan 0.000 0.573 650 V N 3.688 123.614 119.914 0.021 0.000 2.673 650 V HA 0.427 4.547 4.120 -0.001 0.000 0.303 650 V C 1.171 177.280 176.094 0.026 0.000 1.046 650 V CA 0.858 63.171 62.300 0.021 0.000 1.126 650 V CB 0.900 32.735 31.823 0.020 0.000 0.934 650 V HN 0.989 nan 8.190 nan 0.000 0.487 651 R N 7.108 127.619 120.500 0.019 0.000 2.347 651 R HA 0.430 4.769 4.340 -0.001 0.000 0.304 651 R C -2.427 173.882 176.300 0.014 0.000 1.072 651 R CA -1.240 54.870 56.100 0.017 0.000 0.980 651 R CB -0.323 29.981 30.300 0.007 0.000 0.986 651 R HN 0.505 nan 8.270 nan 0.000 0.448 652 P HA 0.128 nan 4.420 nan 0.000 0.270 652 P C -2.157 175.148 177.300 0.008 0.000 1.223 652 P CA -1.450 61.679 63.100 0.048 0.000 0.785 652 P CB 0.574 32.317 31.700 0.073 0.000 0.923 653 P HA 0.212 nan 4.420 nan 0.000 0.251 653 P C -0.473 176.564 177.300 -0.438 0.000 1.223 653 P CA 0.615 63.570 63.100 -0.242 0.000 0.796 653 P CB 0.132 31.625 31.700 -0.345 0.000 1.068 654 F N -0.786 119.146 119.950 -0.029 0.000 2.493 654 F HA 0.466 4.992 4.527 -0.001 0.000 0.329 654 F C 1.509 177.286 175.800 -0.038 0.000 1.126 654 F CA -0.658 57.322 58.000 -0.033 0.000 0.937 654 F CB 2.061 41.044 39.000 -0.030 0.000 1.146 654 F HN -0.388 nan 8.300 nan 0.000 0.442 655 R N 1.763 122.331 120.500 0.113 0.000 2.055 655 R HA 0.461 4.800 4.340 -0.001 0.000 0.190 655 R C -0.300 176.032 176.300 0.053 0.000 1.443 655 R CA 0.015 56.144 56.100 0.048 0.000 1.188 655 R CB 0.201 30.501 30.300 0.000 0.000 1.068 655 R HN 0.602 nan 8.270 nan 0.000 0.475 656 L N -3.209 118.047 121.223 0.054 0.000 2.211 656 L HA 0.484 4.824 4.340 -0.001 0.000 0.259 656 L C 1.316 178.243 176.870 0.096 0.000 1.031 656 L CA -0.823 54.054 54.840 0.060 0.000 0.877 656 L CB 0.636 42.716 42.059 0.035 0.000 1.457 656 L HN 0.051 nan 8.230 nan 0.000 0.466 657 H N 0.033 119.105 119.070 0.004 0.000 2.357 657 H HA -0.073 4.482 4.556 -0.001 0.000 0.301 657 H C 1.878 177.211 175.328 0.008 0.000 1.082 657 H CA 2.382 58.426 56.048 -0.005 0.000 1.342 657 H CB 0.448 30.189 29.762 -0.034 0.000 1.389 657 H HN 0.685 nan 8.280 nan 0.000 0.511 658 L N 1.068 122.261 121.223 -0.050 0.000 1.990 658 L HA -0.205 4.135 4.340 -0.001 0.000 0.213 658 L C 2.512 179.314 176.870 -0.113 0.000 1.072 658 L CA 1.816 56.597 54.840 -0.099 0.000 0.755 658 L CB -0.161 41.892 42.059 -0.011 0.000 0.889 658 L HN 0.334 nan 8.230 nan 0.000 0.432 659 E N -0.192 119.974 120.200 -0.057 0.000 2.107 659 E HA -0.143 4.207 4.350 -0.001 0.000 0.191 659 E C 2.175 178.758 176.600 -0.027 0.000 0.982 659 E CA 1.095 57.466 56.400 -0.049 0.000 0.809 659 E CB -0.358 29.315 29.700 -0.045 0.000 0.756 659 E HN 0.602 nan 8.360 nan 0.000 0.459 660 A N 1.943 124.792 122.820 0.048 0.000 1.978 660 A HA -0.218 4.102 4.320 -0.001 0.000 0.220 660 A C 2.146 179.780 177.584 0.084 0.000 1.170 660 A CA 1.248 53.424 52.037 0.231 0.000 0.636 660 A CB -0.356 18.778 19.000 0.223 0.000 0.810 660 A HN 0.072 nan 8.150 nan 0.000 0.448 661 Q N -0.050 119.685 119.800 -0.108 0.000 2.181 661 Q HA -0.170 4.170 4.340 -0.001 0.000 0.205 661 Q C 1.901 177.889 176.000 -0.021 0.000 0.980 661 Q CA 1.596 57.329 55.803 -0.117 0.000 0.862 661 Q CB -0.318 28.287 28.738 -0.221 0.000 0.905 661 Q HN 0.712 nan 8.270 nan 0.000 0.429 662 K N -0.148 120.238 120.400 -0.023 0.000 2.097 662 K HA -0.027 4.292 4.320 -0.001 0.000 0.205 662 K C 1.996 178.599 176.600 0.004 0.000 1.050 662 K CA 0.918 57.195 56.287 -0.017 0.000 0.938 662 K CB 0.002 32.476 32.500 -0.043 0.000 0.718 662 K HN 0.123 nan 8.250 nan 0.000 0.442 663 A N 1.279 124.121 122.820 0.036 0.000 1.898 663 A HA -0.111 4.209 4.320 -0.001 0.000 0.216 663 A C 2.080 179.728 177.584 0.106 0.000 1.181 663 A CA 1.100 53.185 52.037 0.080 0.000 0.620 663 A CB -0.488 18.635 19.000 0.204 0.000 0.819 663 A HN 0.149 nan 8.150 nan 0.000 0.442 664 L N -0.714 120.574 121.223 0.109 0.000 2.027 664 L HA -0.153 4.186 4.340 -0.001 0.000 0.206 664 L C 2.594 179.490 176.870 0.043 0.000 1.074 664 L CA 1.800 56.681 54.840 0.069 0.000 0.745 664 L CB -0.339 41.763 42.059 0.073 0.000 0.898 664 L HN 0.408 nan 8.230 nan 0.000 0.433 665 K N 0.133 120.556 120.400 0.039 0.000 2.360 665 K HA -0.161 4.159 4.320 -0.001 0.000 0.201 665 K C 1.932 178.542 176.600 0.017 0.000 1.046 665 K CA 0.971 57.273 56.287 0.024 0.000 0.945 665 K CB 0.073 32.584 32.500 0.018 0.000 0.750 665 K HN 0.309 nan 8.250 nan 0.000 0.464 666 A N 1.189 124.020 122.820 0.018 0.000 1.854 666 A HA -0.061 4.258 4.320 -0.001 0.000 0.214 666 A C 1.924 179.517 177.584 0.015 0.000 1.192 666 A CA 0.847 52.891 52.037 0.012 0.000 0.611 666 A CB -0.336 18.669 19.000 0.009 0.000 0.832 666 A HN 0.234 nan 8.150 nan 0.000 0.442 667 R N -0.479 120.032 120.500 0.019 0.000 2.293 667 R HA -0.051 4.289 4.340 -0.001 0.000 0.219 667 R C -0.402 175.901 176.300 0.006 0.000 1.091 667 R CA 0.981 57.087 56.100 0.010 0.000 1.004 667 R CB -0.287 30.011 30.300 -0.002 0.000 0.865 667 R HN 0.539 nan 8.270 nan 0.000 0.469 668 K N -0.078 120.328 120.400 0.010 0.000 3.335 668 K HA -0.103 4.217 4.320 -0.001 0.000 0.271 668 K C -0.862 175.742 176.600 0.007 0.000 1.105 668 K CA 0.303 56.596 56.287 0.011 0.000 0.799 668 K CB -1.625 30.884 32.500 0.015 0.000 1.309 668 K HN 0.041 nan 8.250 nan 0.000 0.469 669 V N 1.932 121.848 119.914 0.003 0.000 2.407 669 V HA 0.388 4.507 4.120 -0.001 0.000 0.278 669 V C -1.586 174.505 176.094 -0.004 0.000 1.037 669 V CA -1.760 60.538 62.300 -0.003 0.000 0.900 669 V CB 0.876 32.694 31.823 -0.007 0.000 0.983 669 V HN 0.218 nan 8.190 nan 0.000 0.459 670 P HA 0.084 nan 4.420 nan 0.000 0.269 670 P C 0.010 177.283 177.300 -0.045 0.000 1.211 670 P CA 0.019 63.109 63.100 -0.016 0.000 0.781 670 P CB 0.564 32.258 31.700 -0.010 0.000 0.877 671 E N 0.126 120.298 120.200 -0.046 0.000 2.569 671 E HA 0.177 4.527 4.350 -0.001 0.000 0.258 671 E C 0.392 176.918 176.600 -0.124 0.000 1.390 671 E CA -0.112 56.240 56.400 -0.078 0.000 1.049 671 E CB 0.100 29.774 29.700 -0.042 0.000 1.009 671 E HN 0.579 nan 8.360 nan 0.000 0.580 672 A N 0.677 123.403 122.820 -0.157 0.000 2.531 672 A HA 0.057 4.376 4.320 -0.001 0.000 0.236 672 A C 0.933 178.472 177.584 -0.074 0.000 1.062 672 A CA 0.256 52.202 52.037 -0.151 0.000 0.760 672 A CB 0.022 18.954 19.000 -0.113 0.000 0.995 672 A HN 0.698 nan 8.150 nan 0.000 0.501 673 M N -0.773 118.792 119.600 -0.058 0.000 2.925 673 M HA -0.173 4.306 4.480 -0.001 0.000 0.187 673 M C 0.869 177.158 176.300 -0.019 0.000 0.634 673 M CA 1.565 56.849 55.300 -0.027 0.000 0.714 673 M CB -2.466 30.125 32.600 -0.014 0.000 2.568 673 M HN 1.206 nan 8.290 nan 0.000 0.281 674 G N 0.949 109.733 108.800 -0.027 0.000 2.476 674 G HA2 0.516 4.476 3.960 -0.001 0.000 0.269 674 G HA3 0.516 4.476 3.960 -0.001 0.000 0.269 674 G C -0.015 174.881 174.900 -0.006 0.000 1.195 674 G CA -0.462 44.630 45.100 -0.013 0.000 0.843 674 G HN 0.374 nan 8.290 nan 0.000 0.545 675 R N 0.293 120.798 120.500 0.008 0.000 2.368 675 R HA 0.371 4.711 4.340 -0.001 0.000 0.302 675 R C -0.618 175.699 176.300 0.029 0.000 1.002 675 R CA -0.761 55.351 56.100 0.020 0.000 0.929 675 R CB 1.728 32.045 30.300 0.027 0.000 1.073 675 R HN 0.316 nan 8.270 nan 0.000 0.464 676 L N 3.428 124.675 121.223 0.040 0.000 2.295 676 L HA 0.334 4.673 4.340 -0.001 0.000 0.281 676 L C -0.499 176.431 176.870 0.101 0.000 1.018 676 L CA -0.187 54.685 54.840 0.054 0.000 0.841 676 L CB 1.394 43.472 42.059 0.032 0.000 1.218 676 L HN 0.741 nan 8.230 nan 0.000 0.424 677 S N 4.861 120.624 115.700 0.106 0.000 2.523 677 S HA 0.559 5.029 4.470 -0.001 0.000 0.275 677 S C -0.712 174.022 174.600 0.223 0.000 1.281 677 S CA -0.467 57.813 58.200 0.133 0.000 1.050 677 S CB 0.912 64.165 63.200 0.089 0.000 0.937 677 S HN 0.562 nan 8.310 nan 0.000 0.492 678 F N 2.870 122.841 119.950 0.035 0.000 3.240 678 F HA 0.433 4.960 4.527 -0.001 0.000 0.370 678 F C -0.660 175.163 175.800 0.038 0.000 1.271 678 F CA -0.604 57.416 58.000 0.034 0.000 1.224 678 F CB 0.902 39.922 39.000 0.033 0.000 1.624 678 F HN 0.700 nan 8.300 nan 0.000 0.658 679 R N 3.869 124.128 120.500 -0.402 0.000 2.549 679 R HA 0.858 5.198 4.340 -0.001 0.000 0.259 679 R C -1.548 174.362 176.300 -0.649 0.000 1.095 679 R CA -1.255 54.582 56.100 -0.438 0.000 1.148 679 R CB 1.860 32.041 30.300 -0.199 0.000 1.181 679 R HN 0.778 nan 8.270 nan 0.000 0.571 680 L N 0.756 121.728 121.223 -0.420 0.000 2.949 680 L HA 0.263 4.603 4.340 -0.001 0.000 0.258 680 L C -1.628 175.130 176.870 -0.187 0.000 0.941 680 L CA -0.392 54.253 54.840 -0.325 0.000 1.053 680 L CB 1.234 43.051 42.059 -0.403 0.000 1.550 680 L HN 0.473 nan 8.230 nan 0.000 0.493 681 K N 5.432 125.757 120.400 -0.126 0.000 2.334 681 K HA 0.541 4.860 4.320 -0.001 0.000 0.265 681 K C -1.276 175.293 176.600 -0.052 0.000 1.039 681 K CA -0.409 55.819 56.287 -0.097 0.000 0.920 681 K CB 1.394 33.842 32.500 -0.087 0.000 1.160 681 K HN 0.679 nan 8.250 nan 0.000 0.451 682 E N 2.608 122.783 120.200 -0.042 0.000 2.745 682 E HA 0.266 4.616 4.350 -0.001 0.000 0.306 682 E C -1.364 175.238 176.600 0.003 0.000 1.090 682 E CA -1.005 55.390 56.400 -0.008 0.000 0.893 682 E CB 0.499 30.208 29.700 0.014 0.000 1.205 682 E HN 0.374 nan 8.360 nan 0.000 0.438 683 L N -0.772 120.458 121.223 0.012 0.000 2.543 683 L HA 0.671 5.011 4.340 -0.001 0.000 0.265 683 L C -0.979 175.909 176.870 0.031 0.000 0.945 683 L CA -1.247 53.608 54.840 0.025 0.000 0.869 683 L CB 2.015 44.083 42.059 0.016 0.000 1.294 683 L HN 0.600 nan 8.230 nan 0.000 0.405 684 R N 1.957 122.482 120.500 0.042 0.000 2.233 684 R HA 0.558 4.898 4.340 -0.001 0.000 0.334 684 R C -2.719 173.602 176.300 0.035 0.000 1.037 684 R CA -1.511 54.612 56.100 0.038 0.000 0.920 684 R CB 1.037 31.364 30.300 0.046 0.000 1.137 684 R HN 0.444 nan 8.270 nan 0.000 0.492 685 P HA 0.252 nan 4.420 nan 0.000 0.276 685 P C -0.958 176.350 177.300 0.015 0.000 1.261 685 P CA -0.512 62.603 63.100 0.025 0.000 0.800 685 P CB 1.218 32.930 31.700 0.020 0.000 1.066 686 K N -0.238 120.170 120.400 0.013 0.000 2.568 686 K HA 0.196 4.516 4.320 -0.001 0.000 0.273 686 K C -0.462 176.141 176.600 0.006 0.000 0.951 686 K CA -0.674 55.612 56.287 -0.000 0.000 0.854 686 K CB 2.081 34.570 32.500 -0.018 0.000 1.424 686 K HN 0.585 nan 8.250 nan 0.000 0.427 687 E N 2.612 122.811 120.200 -0.001 0.000 2.371 687 E HA 0.291 4.641 4.350 -0.001 0.000 0.257 687 E C -0.687 175.920 176.600 0.011 0.000 1.134 687 E CA -0.710 55.693 56.400 0.005 0.000 0.919 687 E CB 0.882 30.581 29.700 -0.001 0.000 1.025 687 E HN 0.179 nan 8.360 nan 0.000 0.438 688 R N 1.786 122.296 120.500 0.017 0.000 2.388 688 R HA 0.146 4.485 4.340 -0.001 0.000 0.314 688 R C -0.653 175.661 176.300 0.023 0.000 0.959 688 R CA -0.717 55.401 56.100 0.029 0.000 0.851 688 R CB 1.257 31.582 30.300 0.042 0.000 1.168 688 R HN 0.653 nan 8.270 nan 0.000 0.472 689 K N 1.071 121.489 120.400 0.030 0.000 2.449 689 K HA 0.143 4.463 4.320 -0.001 0.000 0.237 689 K C 0.486 177.110 176.600 0.040 0.000 1.265 689 K CA -0.164 56.141 56.287 0.030 0.000 1.193 689 K CB -0.142 32.378 32.500 0.034 0.000 1.515 689 K HN 0.551 nan 8.250 nan 0.000 0.259 690 G N 1.105 109.911 108.800 0.011 0.000 2.526 690 G HA2 0.208 4.168 3.960 -0.001 0.000 0.293 690 G HA3 0.208 4.168 3.960 -0.001 0.000 0.293 690 G C 0.532 175.400 174.900 -0.054 0.000 0.882 690 G CA -0.061 45.023 45.100 -0.028 0.000 1.656 690 G HN 0.624 nan 8.290 nan 0.000 0.474 691 A N 3.096 125.914 122.820 -0.003 0.000 1.971 691 A HA 0.648 4.967 4.320 -0.001 0.000 0.200 691 A C 0.266 177.738 177.584 -0.188 0.000 1.658 691 A CA 0.090 52.085 52.037 -0.070 0.000 0.962 691 A CB 0.504 19.515 19.000 0.018 0.000 1.053 691 A HN 0.445 nan 8.150 nan 0.000 0.533 692 F N -1.357 118.621 119.950 0.046 0.000 2.470 692 F HA 0.614 5.141 4.527 -0.001 0.000 0.329 692 F C -0.506 175.397 175.800 0.171 0.000 1.072 692 F CA -0.681 57.371 58.000 0.087 0.000 0.989 692 F CB 1.554 40.592 39.000 0.063 0.000 1.193 692 F HN 0.229 nan 8.300 nan 0.000 0.481 693 Y N 2.931 123.406 120.300 0.291 0.000 2.376 693 Y HA 0.508 5.058 4.550 -0.001 0.000 0.340 693 Y C -1.021 174.977 175.900 0.163 0.000 0.965 693 Y CA -1.475 56.770 58.100 0.241 0.000 1.078 693 Y CB 1.203 39.906 38.460 0.405 0.000 1.193 693 Y HN 0.385 nan 8.280 nan 0.000 0.452 694 L N 7.569 128.480 121.223 -0.519 0.000 2.387 694 L HA 0.338 4.678 4.340 -0.001 0.000 0.267 694 L C 0.655 176.993 176.870 -0.886 0.000 1.197 694 L CA -0.231 54.279 54.840 -0.549 0.000 1.070 694 L CB -0.147 41.666 42.059 -0.411 0.000 1.349 694 L HN 0.516 nan 8.230 nan 0.000 0.422 695 R N 5.524 125.594 120.500 -0.717 0.000 2.473 695 R HA 0.076 4.415 4.340 -0.001 0.000 0.315 695 R C -2.152 173.884 176.300 -0.440 0.000 0.972 695 R CA -1.127 54.603 56.100 -0.616 0.000 1.047 695 R CB 0.501 30.395 30.300 -0.675 0.000 0.932 695 R HN 0.217 nan 8.270 nan 0.000 0.411 696 P HA -0.001 nan 4.420 nan 0.000 0.267 696 P C -0.717 176.499 177.300 -0.140 0.000 1.205 696 P CA 0.172 63.160 63.100 -0.187 0.000 0.765 696 P CB 1.004 32.654 31.700 -0.083 0.000 0.828 697 T N -0.225 114.245 114.554 -0.139 0.000 2.930 697 T HA 0.408 4.758 4.350 -0.001 0.000 0.290 697 T C 1.103 175.757 174.700 -0.077 0.000 1.052 697 T CA -0.914 61.132 62.100 -0.090 0.000 1.017 697 T CB 1.695 70.508 68.868 -0.091 0.000 1.137 697 T HN 0.299 nan 8.240 nan 0.000 0.511 698 M N -0.230 119.325 119.600 -0.076 0.000 2.115 698 M HA 0.224 4.704 4.480 -0.001 0.000 0.261 698 M C -0.256 175.929 176.300 -0.192 0.000 1.079 698 M CA 0.703 55.896 55.300 -0.179 0.000 1.143 698 M CB 0.042 32.456 32.600 -0.310 0.000 1.332 698 M HN 0.670 nan 8.290 nan 0.000 0.421 699 W N 3.184 124.422 121.300 -0.103 0.000 2.295 699 W HA 0.033 4.693 4.660 -0.001 0.000 0.335 699 W C 0.114 176.534 176.519 -0.165 0.000 1.351 699 W CA -0.258 57.017 57.345 -0.117 0.000 1.273 699 W CB 0.100 29.503 29.460 -0.096 0.000 1.214 699 W HN 0.012 nan 8.180 nan 0.000 0.563 700 K N 2.105 122.514 120.400 0.015 0.000 2.098 700 K HA 0.414 4.733 4.320 -0.001 0.000 0.261 700 K C 0.876 177.327 176.600 -0.248 0.000 0.987 700 K CA -0.128 56.062 56.287 -0.162 0.000 0.916 700 K CB 1.133 33.474 32.500 -0.265 0.000 1.039 700 K HN 0.424 nan 8.250 nan 0.000 0.455 701 A N 1.761 124.461 122.820 -0.202 0.000 2.015 701 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 701 A C 1.157 178.607 177.584 -0.223 0.000 1.163 701 A CA 1.323 53.263 52.037 -0.163 0.000 0.646 701 A CB -0.791 18.147 19.000 -0.102 0.000 0.806 701 A HN 0.817 nan 8.150 nan 0.000 0.448 702 H N -0.996 117.866 119.070 -0.346 0.000 2.566 702 H HA 0.240 4.796 4.556 -0.001 0.000 0.280 702 H C 0.671 175.568 175.328 -0.719 0.000 1.042 702 H CA 0.692 56.408 56.048 -0.553 0.000 1.168 702 H CB -0.303 28.971 29.762 -0.814 0.000 1.340 702 H HN 0.625 nan 8.280 nan 0.000 0.597 703 Q N 0.335 119.760 119.800 -0.625 0.000 2.247 703 Q HA 0.305 4.644 4.340 -0.001 0.000 0.211 703 Q C 1.125 177.092 176.000 -0.054 0.000 0.861 703 Q CA 0.144 55.794 55.803 -0.256 0.000 0.949 703 Q CB 0.859 29.590 28.738 -0.011 0.000 1.115 703 Q HN 0.471 nan 8.270 nan 0.000 0.507 704 A N 1.268 124.016 122.820 -0.120 0.000 2.358 704 A HA 0.201 4.520 4.320 -0.001 0.000 0.232 704 A C 0.194 177.756 177.584 -0.037 0.000 1.498 704 A CA 0.131 52.106 52.037 -0.103 0.000 1.400 704 A CB -0.672 18.257 19.000 -0.117 0.000 0.852 704 A HN 0.058 nan 8.150 nan 0.000 0.605 705 V N -0.982 118.957 119.914 0.042 0.000 2.435 705 V HA 0.708 4.828 4.120 -0.001 0.000 0.290 705 V C 1.354 177.478 176.094 0.050 0.000 1.030 705 V CA 0.003 62.353 62.300 0.084 0.000 0.881 705 V CB 0.365 32.310 31.823 0.203 0.000 0.983 705 V HN 1.098 nan 8.190 nan 0.000 0.445 706 G N 4.436 113.244 108.800 0.014 0.000 3.879 706 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.318 706 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.318 706 G C 0.994 175.848 174.900 -0.078 0.000 1.344 706 G CA 0.749 45.840 45.100 -0.014 0.000 1.024 706 G HN 0.589 nan 8.290 nan 0.000 0.681 707 K N 0.898 121.242 120.400 -0.094 0.000 2.244 707 K HA 0.455 4.775 4.320 -0.001 0.000 0.200 707 K C 2.701 179.136 176.600 -0.274 0.000 1.052 707 K CA 1.010 57.149 56.287 -0.247 0.000 0.980 707 K CB -0.103 32.213 32.500 -0.307 0.000 0.838 707 K HN 0.685 nan 8.250 nan 0.000 0.481 708 A N 1.781 124.572 122.820 -0.049 0.000 2.239 708 A HA -0.115 4.205 4.320 -0.001 0.000 0.209 708 A C 2.008 179.453 177.584 -0.232 0.000 1.171 708 A CA 0.683 52.658 52.037 -0.103 0.000 0.768 708 A CB -0.372 18.616 19.000 -0.019 0.000 0.790 708 A HN 0.323 nan 8.150 nan 0.000 0.478 709 Q N -0.299 119.400 119.800 -0.168 0.000 2.002 709 Q HA -0.210 4.129 4.340 -0.001 0.000 0.204 709 Q C 1.773 177.663 176.000 -0.184 0.000 0.988 709 Q CA 1.869 57.584 55.803 -0.147 0.000 0.843 709 Q CB -0.076 28.592 28.738 -0.117 0.000 0.908 709 Q HN 0.609 nan 8.270 nan 0.000 0.420 710 E N -0.820 119.256 120.200 -0.206 0.000 2.216 710 E HA -0.054 4.295 4.350 -0.001 0.000 0.192 710 E C 1.514 177.975 176.600 -0.232 0.000 0.988 710 E CA 0.831 57.117 56.400 -0.189 0.000 0.834 710 E CB 0.152 29.752 29.700 -0.168 0.000 0.772 710 E HN 0.410 nan 8.360 nan 0.000 0.479 711 A N 0.381 122.989 122.820 -0.354 0.000 2.123 711 A HA 0.202 4.521 4.320 -0.001 0.000 0.214 711 A C 1.873 179.028 177.584 -0.714 0.000 1.152 711 A CA 1.019 52.744 52.037 -0.520 0.000 0.728 711 A CB 0.181 18.784 19.000 -0.661 0.000 0.814 711 A HN 0.135 nan 8.150 nan 0.000 0.464 712 A N -0.635 121.849 122.820 -0.560 0.000 2.535 712 A HA 0.429 4.749 4.320 -0.001 0.000 0.273 712 A C 0.846 178.322 177.584 -0.181 0.000 1.267 712 A CA -0.352 51.484 52.037 -0.335 0.000 0.940 712 A CB -0.293 18.551 19.000 -0.260 0.000 1.101 712 A HN 0.426 nan 8.150 nan 0.000 0.521 713 R N 0.152 120.550 120.500 -0.170 0.000 2.738 713 R HA 0.496 4.836 4.340 -0.001 0.000 0.268 713 R C 0.412 176.656 176.300 -0.092 0.000 1.062 713 R CA 0.566 56.597 56.100 -0.114 0.000 1.158 713 R CB 0.397 30.637 30.300 -0.099 0.000 1.046 713 R HN 0.305 nan 8.270 nan 0.000 0.493 714 A N 1.950 124.720 122.820 -0.083 0.000 2.271 714 A HA 0.422 4.741 4.320 -0.001 0.000 0.288 714 A C -1.000 176.542 177.584 -0.071 0.000 1.094 714 A CA -0.502 51.480 52.037 -0.091 0.000 0.828 714 A CB 0.709 19.651 19.000 -0.097 0.000 1.091 714 A HN 0.794 nan 8.150 nan 0.000 0.493 715 E N -0.363 119.770 120.200 -0.111 0.000 2.367 715 E HA 0.663 5.013 4.350 -0.001 0.000 0.273 715 E C -1.477 175.047 176.600 -0.126 0.000 0.903 715 E CA -0.576 55.779 56.400 -0.075 0.000 0.764 715 E CB 1.463 31.146 29.700 -0.028 0.000 1.252 715 E HN 0.426 nan 8.360 nan 0.000 0.446 716 L N 2.243 123.494 121.223 0.046 0.000 2.372 716 L HA 0.529 4.868 4.340 -0.001 0.000 0.273 716 L C -1.543 175.534 176.870 0.346 0.000 0.989 716 L CA -0.712 54.199 54.840 0.118 0.000 0.841 716 L CB 0.693 42.840 42.059 0.146 0.000 1.225 716 L HN 0.576 nan 8.230 nan 0.000 0.414 717 W N 4.146 125.534 121.300 0.145 0.000 2.475 717 W HA 0.759 5.419 4.660 -0.001 0.000 0.317 717 W C -0.071 176.493 176.519 0.074 0.000 1.046 717 W CA -1.214 56.213 57.345 0.137 0.000 1.215 717 W CB 1.605 31.188 29.460 0.205 0.000 1.335 717 W HN 0.498 nan 8.180 nan 0.000 0.471 718 A N 1.822 124.802 122.820 0.267 0.000 2.572 718 A HA 0.469 4.789 4.320 -0.001 0.000 0.295 718 A C -1.502 176.132 177.584 0.083 0.000 1.072 718 A CA -0.938 51.166 52.037 0.112 0.000 0.691 718 A CB 1.008 20.042 19.000 0.056 0.000 1.291 718 A HN 0.646 nan 8.150 nan 0.000 0.404 719 H N 2.158 121.201 119.070 -0.045 0.000 3.034 719 H HA 0.229 4.785 4.556 -0.001 0.000 0.324 719 H C -1.829 173.420 175.328 -0.131 0.000 1.015 719 H CA -0.363 55.641 56.048 -0.073 0.000 1.429 719 H CB 0.881 30.587 29.762 -0.094 0.000 1.429 719 H HN 0.297 nan 8.280 nan 0.000 0.585 720 P HA -0.225 nan 4.420 nan 0.000 0.218 720 P C 0.618 177.638 177.300 -0.467 0.000 1.147 720 P CA 1.754 64.415 63.100 -0.731 0.000 0.827 720 P CB 0.272 31.561 31.700 -0.686 0.000 0.778 721 E N -1.091 118.958 120.200 -0.251 0.000 2.011 721 E HA -0.118 4.231 4.350 -0.001 0.000 0.191 721 E C 2.171 178.748 176.600 -0.037 0.000 0.980 721 E CA 1.879 58.252 56.400 -0.044 0.000 0.814 721 E CB -1.006 28.765 29.700 0.118 0.000 0.775 721 E HN 0.316 nan 8.360 nan 0.000 0.454 722 T N 0.192 114.757 114.554 0.019 0.000 2.778 722 T HA -0.170 4.179 4.350 -0.001 0.000 0.269 722 T C 2.071 176.749 174.700 -0.036 0.000 1.050 722 T CA 1.318 63.404 62.100 -0.022 0.000 1.137 722 T CB -0.378 68.466 68.868 -0.039 0.000 0.860 722 T HN 0.184 nan 8.240 nan 0.000 0.468 723 A N 2.220 125.006 122.820 -0.058 0.000 1.849 723 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 723 A C 2.530 180.102 177.584 -0.020 0.000 1.202 723 A CA 1.988 54.006 52.037 -0.032 0.000 0.629 723 A CB -0.923 18.024 19.000 -0.088 0.000 0.834 723 A HN 0.545 nan 8.150 nan 0.000 0.447 724 R N -0.575 119.877 120.500 -0.079 0.000 2.276 724 R HA 0.096 4.435 4.340 -0.001 0.000 0.203 724 R C 2.070 178.357 176.300 -0.022 0.000 1.017 724 R CA 0.900 56.979 56.100 -0.035 0.000 1.010 724 R CB -0.280 29.978 30.300 -0.070 0.000 0.900 724 R HN 0.496 nan 8.270 nan 0.000 0.469 725 A N 0.452 123.254 122.820 -0.030 0.000 1.930 725 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 725 A C 1.519 179.097 177.584 -0.011 0.000 1.175 725 A CA 1.084 53.108 52.037 -0.021 0.000 0.627 725 A CB -0.065 18.919 19.000 -0.026 0.000 0.815 725 A HN 0.383 nan 8.150 nan 0.000 0.443 726 E N -0.810 119.387 120.200 -0.005 0.000 2.423 726 E HA 0.457 4.806 4.350 -0.001 0.000 0.198 726 E C 0.073 176.685 176.600 0.021 0.000 1.038 726 E CA 0.246 56.649 56.400 0.006 0.000 1.011 726 E CB -0.247 29.454 29.700 0.002 0.000 1.118 726 E HN 0.674 nan 8.360 nan 0.000 0.451 727 A N 0.815 123.647 122.820 0.020 0.000 2.475 727 A HA -0.184 4.135 4.320 -0.001 0.000 0.295 727 A C -0.453 177.156 177.584 0.042 0.000 1.457 727 A CA 0.660 52.713 52.037 0.027 0.000 0.734 727 A CB -1.975 17.038 19.000 0.021 0.000 1.118 727 A HN 0.367 nan 8.150 nan 0.000 0.400 728 L N 0.542 121.801 121.223 0.060 0.000 2.490 728 L HA 0.377 4.716 4.340 -0.001 0.000 0.256 728 L C -2.352 174.594 176.870 0.127 0.000 1.089 728 L CA -1.906 52.984 54.840 0.084 0.000 0.916 728 L CB 1.753 43.870 42.059 0.097 0.000 1.188 728 L HN 0.179 nan 8.230 nan 0.000 0.476 729 P HA -0.042 nan 4.420 nan 0.000 0.268 729 P C 0.724 178.007 177.300 -0.027 0.000 1.208 729 P CA -0.057 63.081 63.100 0.064 0.000 0.777 729 P CB 0.830 32.542 31.700 0.021 0.000 0.875 730 E N 0.958 121.044 120.200 -0.190 0.000 2.331 730 E HA -0.092 4.258 4.350 -0.001 0.000 0.199 730 E C 0.412 176.857 176.600 -0.258 0.000 1.008 730 E CA 0.797 56.872 56.400 -0.542 0.000 0.843 730 E CB -0.338 29.005 29.700 -0.596 0.000 0.761 730 E HN 0.627 nan 8.360 nan 0.000 0.507 731 G N -0.004 108.719 108.800 -0.128 0.000 3.829 731 G HA2 0.572 4.531 3.960 -0.001 0.000 0.289 731 G HA3 0.572 4.531 3.960 -0.001 0.000 0.289 731 G C -1.107 173.768 174.900 -0.042 0.000 1.274 731 G CA 0.090 45.145 45.100 -0.076 0.000 0.698 731 G HN 0.243 nan 8.290 nan 0.000 0.488 732 A N 0.857 123.662 122.820 -0.025 0.000 2.435 732 A HA 0.797 5.116 4.320 -0.001 0.000 0.304 732 A C -0.419 177.164 177.584 -0.001 0.000 1.064 732 A CA -0.670 51.361 52.037 -0.010 0.000 0.727 732 A CB 1.662 20.662 19.000 0.000 0.000 1.284 732 A HN 0.210 nan 8.150 nan 0.000 0.415 733 Q N 1.704 121.501 119.800 -0.004 0.000 2.566 733 Q HA 0.285 4.624 4.340 -0.001 0.000 0.221 733 Q C -0.565 175.436 176.000 0.001 0.000 1.195 733 Q CA -0.024 55.776 55.803 -0.005 0.000 0.967 733 Q CB 0.850 29.580 28.738 -0.014 0.000 1.337 733 Q HN 0.489 nan 8.270 nan 0.000 0.553 734 V N 1.539 121.460 119.914 0.011 0.000 2.583 734 V HA 0.393 4.513 4.120 -0.001 0.000 0.287 734 V C 0.342 176.441 176.094 0.008 0.000 1.051 734 V CA -0.513 61.798 62.300 0.019 0.000 1.010 734 V CB 1.417 33.264 31.823 0.040 0.000 0.988 734 V HN 0.678 nan 8.190 nan 0.000 0.478 735 A N 5.126 127.949 122.820 0.005 0.000 2.310 735 A HA 0.776 5.096 4.320 -0.001 0.000 0.299 735 A C -0.638 176.941 177.584 -0.009 0.000 1.147 735 A CA -0.374 51.658 52.037 -0.008 0.000 0.818 735 A CB 0.970 19.964 19.000 -0.010 0.000 1.096 735 A HN 0.681 nan 8.150 nan 0.000 0.495 736 V N 1.695 121.585 119.914 -0.039 0.000 2.841 736 V HA 0.475 4.595 4.120 -0.001 0.000 0.310 736 V C -0.441 175.574 176.094 -0.131 0.000 1.090 736 V CA -0.585 61.668 62.300 -0.079 0.000 0.930 736 V CB 1.960 33.721 31.823 -0.104 0.000 1.014 736 V HN 1.033 nan 8.190 nan 0.000 0.425 737 E N 1.820 121.921 120.200 -0.166 0.000 2.176 737 E HA 0.745 5.095 4.350 -0.001 0.000 0.267 737 E C -0.981 175.481 176.600 -0.230 0.000 0.893 737 E CA -0.257 56.050 56.400 -0.155 0.000 0.761 737 E CB 1.830 31.476 29.700 -0.090 0.000 1.133 737 E HN 0.827 nan 8.360 nan 0.000 0.409 738 T N 3.299 117.743 114.554 -0.184 0.000 2.887 738 T HA 0.290 4.639 4.350 -0.001 0.000 0.292 738 T C -2.147 172.480 174.700 -0.122 0.000 1.087 738 T CA -1.582 60.422 62.100 -0.159 0.000 1.009 738 T CB 1.342 70.145 68.868 -0.107 0.000 1.203 738 T HN 0.257 nan 8.240 nan 0.000 0.518 739 P HA -0.034 nan 4.420 nan 0.000 0.219 739 P C 0.446 177.443 177.300 -0.504 0.000 1.144 739 P CA 1.191 64.087 63.100 -0.339 0.000 0.806 739 P CB -0.092 31.353 31.700 -0.424 0.000 0.771 740 F N -1.905 117.971 119.950 -0.123 0.000 2.695 740 F HA 0.418 4.945 4.527 -0.001 0.000 0.303 740 F C 1.504 177.242 175.800 -0.104 0.000 1.091 740 F CA 0.648 58.587 58.000 -0.101 0.000 1.300 740 F CB 0.250 39.208 39.000 -0.070 0.000 1.071 740 F HN -0.110 nan 8.300 nan 0.000 0.578 741 G N 0.577 109.377 108.800 -0.001 0.000 2.340 741 G HA2 0.017 3.977 3.960 -0.001 0.000 0.527 741 G HA3 0.017 3.977 3.960 -0.001 0.000 0.527 741 G C -1.482 173.389 174.900 -0.048 0.000 1.381 741 G CA -1.292 43.787 45.100 -0.035 0.000 1.001 741 G HN 0.076 nan 8.290 nan 0.000 0.626 742 R N -0.006 120.467 120.500 -0.046 0.000 2.221 742 R HA 0.605 4.944 4.340 -0.001 0.000 0.327 742 R C -0.725 175.550 176.300 -0.041 0.000 1.033 742 R CA -0.352 55.718 56.100 -0.051 0.000 0.887 742 R CB 0.803 31.078 30.300 -0.042 0.000 1.057 742 R HN 0.583 nan 8.270 nan 0.000 0.455 743 V N 5.020 124.900 119.914 -0.056 0.000 2.638 743 V HA 0.207 4.327 4.120 -0.001 0.000 0.306 743 V C 0.061 176.124 176.094 -0.050 0.000 1.052 743 V CA -1.036 61.232 62.300 -0.053 0.000 0.885 743 V CB 1.618 33.401 31.823 -0.066 0.000 0.999 743 V HN 0.837 nan 8.190 nan 0.000 0.424 744 E N 3.939 124.114 120.200 -0.042 0.000 2.374 744 E HA 0.702 5.052 4.350 -0.001 0.000 0.260 744 E C -0.461 176.118 176.600 -0.036 0.000 1.101 744 E CA -0.384 55.997 56.400 -0.033 0.000 0.907 744 E CB 2.098 31.781 29.700 -0.028 0.000 1.014 744 E HN 0.971 nan 8.360 nan 0.000 0.427 745 A N 2.222 125.029 122.820 -0.022 0.000 2.555 745 A HA 0.415 4.734 4.320 -0.001 0.000 0.297 745 A C -0.655 176.933 177.584 0.006 0.000 1.060 745 A CA -0.895 51.132 52.037 -0.017 0.000 0.710 745 A CB 0.897 19.885 19.000 -0.020 0.000 1.282 745 A HN 0.759 nan 8.150 nan 0.000 0.399 746 R N 0.746 121.252 120.500 0.011 0.000 2.594 746 R HA 0.578 4.917 4.340 -0.001 0.000 0.272 746 R C -0.315 176.027 176.300 0.070 0.000 1.074 746 R CA -0.355 55.761 56.100 0.028 0.000 1.105 746 R CB 1.034 31.349 30.300 0.025 0.000 1.008 746 R HN 0.982 nan 8.270 nan 0.000 0.472 747 V N 3.633 123.585 119.914 0.063 0.000 2.417 747 V HA 0.550 4.670 4.120 -0.001 0.000 0.291 747 V C -0.869 175.269 176.094 0.074 0.000 1.024 747 V CA -0.628 61.733 62.300 0.101 0.000 0.861 747 V CB 1.675 33.545 31.823 0.078 0.000 0.985 747 V HN 0.653 nan 8.190 nan 0.000 0.436 748 V N 6.440 126.458 119.914 0.173 0.000 2.604 748 V HA 0.512 4.631 4.120 -0.001 0.000 0.305 748 V C -0.377 175.773 176.094 0.093 0.000 1.043 748 V CA -0.692 61.644 62.300 0.060 0.000 0.888 748 V CB 1.832 33.691 31.823 0.061 0.000 0.995 748 V HN 0.999 nan 8.190 nan 0.000 0.429 749 H N 4.350 123.390 119.070 -0.049 0.000 2.620 749 H HA 0.583 5.139 4.556 -0.001 0.000 0.313 749 H C -0.223 175.021 175.328 -0.140 0.000 1.075 749 H CA -0.548 55.449 56.048 -0.085 0.000 1.397 749 H CB 0.840 30.541 29.762 -0.102 0.000 1.446 749 H HN 0.423 nan 8.280 nan 0.000 0.493 750 R N 2.753 123.255 120.500 0.003 0.000 2.518 750 R HA 0.064 4.404 4.340 -0.001 0.000 0.296 750 R C 0.036 176.346 176.300 0.017 0.000 1.080 750 R CA -0.503 55.562 56.100 -0.060 0.000 0.922 750 R CB 1.631 31.824 30.300 -0.178 0.000 1.184 750 R HN 0.762 nan 8.270 nan 0.000 0.445 751 E N 1.338 121.545 120.200 0.012 0.000 2.510 751 E HA -0.163 4.187 4.350 -0.001 0.000 0.202 751 E C 0.591 177.302 176.600 0.186 0.000 1.072 751 E CA 0.999 57.476 56.400 0.127 0.000 0.883 751 E CB 0.270 30.011 29.700 0.069 0.000 0.818 751 E HN 0.546 nan 8.360 nan 0.000 0.548 752 D N -0.330 120.151 120.400 0.135 0.000 2.379 752 D HA -0.025 4.615 4.640 -0.001 0.000 0.208 752 D C 0.510 176.939 176.300 0.215 0.000 1.065 752 D CA 0.026 54.119 54.000 0.155 0.000 0.848 752 D CB 0.252 41.140 40.800 0.146 0.000 0.949 752 D HN -0.110 nan 8.370 nan 0.000 0.509 753 V N 3.685 123.735 119.914 0.226 0.000 2.508 753 V HA 0.169 4.289 4.120 -0.001 0.000 0.281 753 V C -1.955 174.173 176.094 0.057 0.000 1.041 753 V CA -1.321 61.114 62.300 0.225 0.000 1.016 753 V CB 0.863 32.788 31.823 0.171 0.000 0.984 753 V HN 0.056 nan 8.190 nan 0.000 0.478 754 P HA 0.025 nan 4.420 nan 0.000 0.262 754 P C -0.333 176.766 177.300 -0.334 0.000 1.182 754 P CA -0.255 62.761 63.100 -0.139 0.000 0.761 754 P CB 0.551 32.231 31.700 -0.033 0.000 0.795 755 K N 2.547 122.728 120.400 -0.365 0.000 2.489 755 K HA 0.235 4.555 4.320 -0.001 0.000 0.278 755 K C 1.427 177.735 176.600 -0.488 0.000 1.000 755 K CA 1.439 57.513 56.287 -0.356 0.000 1.012 755 K CB -0.735 31.566 32.500 -0.331 0.000 0.903 755 K HN 0.765 nan 8.250 nan 0.000 0.485 756 G N 2.623 111.237 108.800 -0.311 0.000 2.179 756 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.257 756 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.257 756 G C -0.462 174.299 174.900 -0.231 0.000 1.010 756 G CA 0.746 45.693 45.100 -0.255 0.000 0.736 756 G HN 0.814 nan 8.290 nan 0.000 0.513 757 H N -1.875 117.071 119.070 -0.206 0.000 2.771 757 H HA 0.745 5.301 4.556 -0.001 0.000 0.367 757 H C -0.548 174.577 175.328 -0.339 0.000 1.172 757 H CA -1.328 54.550 56.048 -0.285 0.000 1.186 757 H CB 1.669 31.247 29.762 -0.306 0.000 1.790 757 H HN 0.108 nan 8.280 nan 0.000 0.556 758 L N 1.869 122.954 121.223 -0.231 0.000 2.381 758 L HA 0.265 4.605 4.340 -0.001 0.000 0.274 758 L C -1.150 175.762 176.870 0.070 0.000 0.988 758 L CA -0.374 54.370 54.840 -0.160 0.000 0.824 758 L CB 1.043 42.960 42.059 -0.237 0.000 1.263 758 L HN 0.583 nan 8.230 nan 0.000 0.410 759 Y N 3.775 124.178 120.300 0.171 0.000 2.383 759 Y HA 0.451 5.001 4.550 -0.001 0.000 0.344 759 Y C -0.123 175.733 175.900 -0.073 0.000 0.986 759 Y CA -0.784 57.368 58.100 0.086 0.000 1.175 759 Y CB 1.534 40.016 38.460 0.038 0.000 1.152 759 Y HN 0.401 nan 8.280 nan 0.000 0.511 760 L N 3.074 124.360 121.223 0.106 0.000 2.309 760 L HA 0.350 4.690 4.340 -0.001 0.000 0.282 760 L C 0.258 176.970 176.870 -0.263 0.000 1.036 760 L CA -0.117 54.681 54.840 -0.070 0.000 0.806 760 L CB 1.756 43.797 42.059 -0.029 0.000 1.220 760 L HN 0.458 nan 8.230 nan 0.000 0.429 761 S N 3.853 119.368 115.700 -0.309 0.000 2.519 761 S HA 0.305 4.774 4.470 -0.001 0.000 0.310 761 S C 0.477 174.918 174.600 -0.264 0.000 1.201 761 S CA -0.244 57.758 58.200 -0.329 0.000 1.179 761 S CB -0.370 62.676 63.200 -0.257 0.000 1.104 761 S HN 0.750 nan 8.310 nan 0.000 0.527 762 A N 6.523 129.161 122.820 -0.302 0.000 3.026 762 A HA 0.292 4.612 4.320 -0.001 0.000 0.272 762 A C 0.916 178.357 177.584 -0.239 0.000 1.782 762 A CA -0.266 51.598 52.037 -0.289 0.000 1.451 762 A CB -0.588 18.203 19.000 -0.348 0.000 1.081 762 A HN 0.936 nan 8.150 nan 0.000 0.611 763 L N 1.395 122.500 121.223 -0.196 0.000 2.693 763 L HA 0.142 4.482 4.340 -0.001 0.000 0.242 763 L C 1.381 178.152 176.870 -0.165 0.000 1.157 763 L CA 0.243 54.990 54.840 -0.155 0.000 0.929 763 L CB -0.460 41.526 42.059 -0.122 0.000 1.103 763 L HN 0.686 nan 8.230 nan 0.000 0.430 764 G N -0.259 108.412 108.800 -0.214 0.000 3.262 764 G HA2 0.433 4.393 3.960 -0.001 0.000 0.229 764 G HA3 0.433 4.393 3.960 -0.001 0.000 0.229 764 G C -2.339 172.367 174.900 -0.323 0.000 1.280 764 G CA -0.352 44.601 45.100 -0.245 0.000 0.951 764 G HN -0.120 nan 8.290 nan 0.000 0.589 765 P HA 0.320 nan 4.420 nan 0.000 0.254 765 P C -0.034 177.027 177.300 -0.399 0.000 1.620 765 P CA 0.186 63.009 63.100 -0.462 0.000 1.050 765 P CB 0.920 32.219 31.700 -0.669 0.000 1.539 766 A N -0.385 122.221 122.820 -0.357 0.000 2.701 766 A HA 0.647 4.967 4.320 -0.001 0.000 0.297 766 A C 0.842 178.226 177.584 -0.334 0.000 1.197 766 A CA -0.424 51.418 52.037 -0.325 0.000 0.963 766 A CB -0.174 18.355 19.000 -0.785 0.000 1.175 766 A HN 0.266 nan 8.150 nan 0.000 0.531 767 A N -1.045 121.616 122.820 -0.264 0.000 2.304 767 A HA 0.568 4.888 4.320 -0.001 0.000 0.271 767 A C 1.364 178.829 177.584 -0.198 0.000 1.091 767 A CA 0.284 52.159 52.037 -0.269 0.000 0.812 767 A CB -0.203 18.658 19.000 -0.231 0.000 1.056 767 A HN 1.961 nan 8.150 nan 0.000 0.489 768 G N -0.589 108.041 108.800 -0.284 0.000 2.246 768 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.273 768 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.273 768 G C -0.257 174.663 174.900 0.032 0.000 1.055 768 G CA 0.564 45.618 45.100 -0.078 0.000 0.851 768 G HN 0.734 nan 8.290 nan 0.000 0.500 769 L N -0.732 120.429 121.223 -0.104 0.000 2.342 769 L HA 0.670 5.010 4.340 -0.001 0.000 0.271 769 L C 0.677 177.627 176.870 0.134 0.000 1.008 769 L CA -1.183 53.683 54.840 0.043 0.000 0.818 769 L CB 1.671 43.733 42.059 0.006 0.000 1.296 769 L HN 0.156 nan 8.230 nan 0.000 0.427 770 R N 2.172 122.786 120.500 0.190 0.000 2.338 770 R HA 0.763 5.102 4.340 -0.001 0.000 0.317 770 R C -1.251 175.142 176.300 0.154 0.000 0.968 770 R CA -0.630 55.594 56.100 0.206 0.000 0.849 770 R CB 1.872 32.268 30.300 0.160 0.000 1.128 770 R HN 0.333 nan 8.270 nan 0.000 0.448 771 V N -0.069 119.955 119.914 0.183 0.000 3.232 771 V HA 0.342 4.462 4.120 -0.001 0.000 0.303 771 V C -0.368 175.849 176.094 0.205 0.000 1.311 771 V CA -1.314 61.080 62.300 0.156 0.000 1.061 771 V CB 2.203 34.118 31.823 0.152 0.000 1.085 771 V HN 0.574 nan 8.190 nan 0.000 0.447 772 E N 0.668 120.952 120.200 0.140 0.000 2.322 772 E HA 0.798 5.147 4.350 -0.001 0.000 0.257 772 E C 0.282 176.984 176.600 0.171 0.000 1.155 772 E CA 0.545 57.053 56.400 0.180 0.000 0.936 772 E CB 1.517 31.267 29.700 0.082 0.000 1.130 772 E HN 1.300 nan 8.360 nan 0.000 0.465 773 G N -0.129 108.809 108.800 0.230 0.000 2.361 773 G HA2 0.325 4.284 3.960 -0.001 0.000 0.305 773 G HA3 0.325 4.284 3.960 -0.001 0.000 0.305 773 G C -1.292 173.814 174.900 0.343 0.000 1.367 773 G CA -0.599 44.534 45.100 0.056 0.000 0.951 773 G HN 0.546 nan 8.290 nan 0.000 0.615 774 R N -1.611 118.986 120.500 0.161 0.000 2.747 774 R HA 0.684 5.024 4.340 -0.001 0.000 0.272 774 R C -1.663 174.731 176.300 0.158 0.000 1.032 774 R CA -0.668 55.598 56.100 0.277 0.000 0.896 774 R CB 0.752 31.148 30.300 0.162 0.000 1.253 774 R HN 1.019 nan 8.270 nan 0.000 0.461 775 V N 3.046 123.061 119.914 0.169 0.000 2.334 775 V HA 0.297 4.416 4.120 -0.001 0.000 0.267 775 V C 0.703 176.832 176.094 0.059 0.000 1.040 775 V CA -0.738 61.625 62.300 0.106 0.000 0.866 775 V CB 0.622 32.515 31.823 0.118 0.000 1.019 775 V HN 0.435 nan 8.190 nan 0.000 0.468 776 L N 5.770 127.012 121.223 0.033 0.000 2.461 776 L HA 0.515 4.855 4.340 -0.001 0.000 0.272 776 L C 0.033 176.914 176.870 0.019 0.000 1.197 776 L CA -0.117 54.735 54.840 0.019 0.000 0.836 776 L CB 0.311 42.373 42.059 0.005 0.000 1.105 776 L HN 0.345 nan 8.230 nan 0.000 0.477 777 V N 0.000 119.923 119.914 0.016 0.000 2.409 777 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 777 V CA 0.000 62.308 62.300 0.014 0.000 1.235 777 V CB 0.000 31.832 31.823 0.016 0.000 1.184 777 V HN 0.000 nan 8.190 nan 0.000 0.556