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 2d5w_1_B DATA FIRST_RESID 1 DATA SEQUENCE MGPQDNSLVI GASQEPRVLA GDFLRVISNQ AIKSEIEQYL FAPFIGFNAD DATA SEQUENCE SQNFPVLATE VPTLENGRLR VTDIGGGKKR LEMDITIRPD AKWSDGRPIT DATA SEQUENCE TEDVAFYFEV GKAKGMPVLN PDFWERVNVR IKDARNFTLI FEPAYYYDTY DATA SEQUENCE GPINTYAPKH IMGPEWERVK AAARGLDPDK DAEKLNELYR NFFLKFATPQ DATA SEQUENCE ALNRGAMVYS GPFKLKRWVP GNSIEMERNP NFPIKPEGGE SKYVQKVVYR DATA SEQUENCE FIQNTNSLLV AVIGGSIDAT SSVSLTFDQG RSPQLVRRAP GRFDIWFVPG DATA SEQUENCE AIWEHIDINK FENcQVVKDL GLNDKRTRQA ILHALNREGL VKAFFDGLQP DATA SEQUENCE VAHTWIAPVN PLFNPNVKKY EFDLKKAEAL LAEMGWRKGP DGILQRTVNG DATA SEQUENCE RTVRFEIEYV TTAGNVVRER TQQFFAEDLK KIGIAVKINN APSAVVFADE DATA SEQUENCE FIQRASEcKW TGMFEFAWVS NLQEDGSLFQ YKNLNTGAIM VPTKENNYQG DATA SEQUENCE QNIGGWRNDE FDRLTSQAVL EFDPERRKQL FWRAQEIWAE ELPALPLYFR DATA SEQUENCE ANPYVVRKGL VNYVASAYSG GYGYPGWNAW EIGWESRGAV KKWDQAKYAL DATA SEQUENCE ST 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 0.000 176.188 176.300 -0.187 0.000 1.140 1 M CA 0.000 55.218 55.300 -0.137 0.000 0.988 1 M CB 0.000 32.515 32.600 -0.141 0.000 1.302 2 G N 1.540 110.239 108.800 -0.169 0.000 2.529 2 G HA2 -0.160 3.814 3.960 0.023 0.000 0.219 2 G HA3 -0.160 3.814 3.960 0.023 0.000 0.219 2 G C -1.378 173.204 174.900 -0.531 0.000 1.177 2 G CA 1.636 46.668 45.100 -0.113 0.000 0.773 2 G HN 0.466 nan 8.290 nan 0.000 0.573 3 P HA -0.106 nan 4.420 nan 0.000 0.215 3 P C 1.831 178.776 177.300 -0.591 0.000 1.153 3 P CA 1.590 63.843 63.100 -1.411 0.000 0.853 3 P CB -0.063 30.919 31.700 -1.197 0.000 0.788 4 Q N -0.367 119.197 119.800 -0.393 0.000 2.119 4 Q HA -0.158 4.195 4.340 0.023 0.000 0.201 4 Q C 0.624 176.542 176.000 -0.137 0.000 0.972 4 Q CA 1.534 57.206 55.803 -0.217 0.000 0.847 4 Q CB -0.254 28.381 28.738 -0.171 0.000 0.903 4 Q HN 0.171 nan 8.270 nan 0.000 0.433 5 D N -0.028 120.301 120.400 -0.118 0.000 2.349 5 D HA 0.010 4.663 4.640 0.023 0.000 0.214 5 D C -0.198 176.111 176.300 0.016 0.000 1.063 5 D CA 0.083 54.059 54.000 -0.040 0.000 0.847 5 D CB 0.005 40.790 40.800 -0.025 0.000 0.933 5 D HN 0.216 nan 8.370 nan 0.000 0.513 6 N N 0.751 119.460 118.700 0.015 0.000 2.738 6 N HA -0.192 4.562 4.740 0.023 0.000 0.249 6 N C -0.934 174.725 175.510 0.248 0.000 1.047 6 N CA 0.784 53.940 53.050 0.177 0.000 0.707 6 N CB -1.122 37.454 38.487 0.148 0.000 0.937 6 N HN 0.250 nan 8.380 nan 0.000 0.545 7 S N -1.060 114.799 115.700 0.265 0.000 2.709 7 S HA 0.819 5.303 4.470 0.023 0.000 0.302 7 S C -0.686 174.079 174.600 0.274 0.000 1.127 7 S CA -1.030 57.289 58.200 0.198 0.000 0.905 7 S CB 2.548 65.796 63.200 0.080 0.000 1.151 7 S HN 0.399 nan 8.310 nan 0.000 0.510 8 L N 1.517 122.777 121.223 0.063 0.000 2.457 8 L HA 0.636 4.990 4.340 0.023 0.000 0.266 8 L C -1.585 175.185 176.870 -0.166 0.000 0.979 8 L CA -0.483 54.334 54.840 -0.037 0.000 0.857 8 L CB 1.470 43.423 42.059 -0.177 0.000 1.213 8 L HN 0.636 nan 8.230 nan 0.000 0.418 9 V N 6.607 126.445 119.914 -0.127 0.000 2.364 9 V HA 0.464 4.597 4.120 0.023 0.000 0.272 9 V C 0.249 176.161 176.094 -0.303 0.000 1.036 9 V CA -0.242 61.934 62.300 -0.207 0.000 0.880 9 V CB 1.238 32.989 31.823 -0.120 0.000 0.991 9 V HN 0.583 nan 8.190 nan 0.000 0.460 10 I N 4.163 124.436 120.570 -0.496 0.000 2.378 10 I HA 0.545 4.729 4.170 0.023 0.000 0.291 10 I C 0.862 176.676 176.117 -0.505 0.000 0.992 10 I CA -0.316 60.623 61.300 -0.601 0.000 1.154 10 I CB 1.754 39.109 38.000 -1.075 0.000 1.315 10 I HN 0.679 nan 8.210 nan 0.000 0.448 11 G N 4.568 113.193 108.800 -0.291 0.000 2.338 11 G HA2 0.695 4.669 3.960 0.023 0.000 0.298 11 G HA3 0.695 4.669 3.960 0.023 0.000 0.298 11 G C -0.720 174.138 174.900 -0.069 0.000 1.140 11 G CA -0.251 44.742 45.100 -0.178 0.000 0.860 11 G HN 0.762 nan 8.290 nan 0.000 0.470 12 A N 1.407 124.242 122.820 0.025 0.000 2.498 12 A HA 0.717 5.051 4.320 0.023 0.000 0.298 12 A C 0.686 178.401 177.584 0.219 0.000 1.075 12 A CA -0.005 52.145 52.037 0.189 0.000 0.714 12 A CB 1.605 20.845 19.000 0.400 0.000 1.299 12 A HN 1.374 nan 8.150 nan 0.000 0.407 13 S N 0.102 115.914 115.700 0.186 0.000 2.557 13 S HA 0.303 4.787 4.470 0.023 0.000 0.223 13 S C 0.241 174.929 174.600 0.146 0.000 0.969 13 S CA -0.035 58.253 58.200 0.146 0.000 0.927 13 S CB -0.143 63.112 63.200 0.092 0.000 0.806 13 S HN 0.670 nan 8.310 nan 0.000 0.489 14 Q N 0.404 120.317 119.800 0.187 0.000 2.416 14 Q HA 0.506 4.860 4.340 0.023 0.000 0.281 14 Q C -1.521 174.472 176.000 -0.012 0.000 1.067 14 Q CA -0.562 55.296 55.803 0.092 0.000 0.809 14 Q CB 2.304 31.112 28.738 0.117 0.000 1.418 14 Q HN 0.437 nan 8.270 nan 0.000 0.411 15 E N 1.753 121.812 120.200 -0.236 0.000 2.238 15 E HA 0.457 4.821 4.350 0.023 0.000 0.267 15 E C -2.581 173.850 176.600 -0.281 0.000 0.887 15 E CA -2.357 53.649 56.400 -0.656 0.000 0.769 15 E CB 1.813 31.027 29.700 -0.809 0.000 1.187 15 E HN 0.209 nan 8.360 nan 0.000 0.416 16 P HA 0.038 nan 4.420 nan 0.000 0.268 16 P C -0.125 177.260 177.300 0.141 0.000 1.205 16 P CA -0.055 63.007 63.100 -0.063 0.000 0.771 16 P CB 0.726 32.315 31.700 -0.185 0.000 0.858 17 R N 3.725 124.296 120.500 0.118 0.000 2.090 17 R HA 0.003 4.357 4.340 0.023 0.000 0.228 17 R C 0.273 176.698 176.300 0.209 0.000 1.110 17 R CA 1.586 57.760 56.100 0.122 0.000 0.973 17 R CB -0.548 29.794 30.300 0.071 0.000 0.869 17 R HN 0.408 nan 8.270 nan 0.000 0.440 18 V N -3.360 116.706 119.914 0.253 0.000 3.232 18 V HA 0.669 4.803 4.120 0.023 0.000 0.303 18 V C -1.466 174.794 176.094 0.277 0.000 1.311 18 V CA -1.387 61.100 62.300 0.312 0.000 1.061 18 V CB 1.800 33.720 31.823 0.162 0.000 1.085 18 V HN 0.014 nan 8.190 nan 0.000 0.447 19 L N 0.679 122.091 121.223 0.314 0.000 2.518 19 L HA 0.920 5.274 4.340 0.023 0.000 0.257 19 L C 0.618 177.638 176.870 0.250 0.000 0.980 19 L CA 0.817 55.770 54.840 0.188 0.000 0.837 19 L CB 1.738 43.812 42.059 0.025 0.000 1.410 19 L HN 2.387 nan 8.230 nan 0.000 0.410 20 A N 2.679 125.639 122.820 0.234 0.000 1.467 20 A HA -0.289 4.045 4.320 0.023 0.000 0.224 20 A C 1.554 179.176 177.584 0.062 0.000 0.387 20 A CA 2.116 54.314 52.037 0.269 0.000 1.098 20 A CB -2.555 16.803 19.000 0.598 0.000 1.464 20 A HN 1.759 nan 8.150 nan 0.000 0.719 21 G N -0.754 108.146 108.800 0.167 0.000 2.484 21 G HA2 0.183 4.157 3.960 0.023 0.000 0.218 21 G HA3 0.183 4.157 3.960 0.023 0.000 0.218 21 G C 0.616 175.590 174.900 0.123 0.000 1.130 21 G CA 1.489 46.692 45.100 0.173 0.000 0.784 21 G HN 0.850 nan 8.290 nan 0.000 0.543 22 D N 0.498 120.885 120.400 -0.021 0.000 2.994 22 D HA 0.119 4.773 4.640 0.023 0.000 0.240 22 D C 1.560 177.616 176.300 -0.407 0.000 1.195 22 D CA -0.931 52.867 54.000 -0.337 0.000 0.957 22 D CB -0.703 39.975 40.800 -0.204 0.000 1.105 22 D HN 0.304 nan 8.370 nan 0.000 0.477 23 F N -0.681 119.062 119.950 -0.346 0.000 2.546 23 F HA 0.083 4.624 4.527 0.023 0.000 0.298 23 F C 0.926 176.567 175.800 -0.266 0.000 1.120 23 F CA 0.396 58.223 58.000 -0.289 0.000 1.456 23 F CB -0.368 38.497 39.000 -0.225 0.000 1.088 23 F HN 0.116 nan 8.300 nan 0.000 0.572 24 L N 0.220 121.021 121.223 -0.704 0.000 2.640 24 L HA 0.295 4.649 4.340 0.023 0.000 0.230 24 L C 0.648 177.302 176.870 -0.359 0.000 1.123 24 L CA -0.102 54.443 54.840 -0.492 0.000 0.900 24 L CB -0.274 41.339 42.059 -0.742 0.000 1.146 24 L HN 0.078 nan 8.230 nan 0.000 0.484 25 R N -1.157 119.113 120.500 -0.383 0.000 3.651 25 R HA -0.161 4.192 4.340 0.023 0.000 0.292 25 R C 1.306 177.478 176.300 -0.213 0.000 1.161 25 R CA 0.554 56.516 56.100 -0.231 0.000 0.787 25 R CB -2.414 27.827 30.300 -0.099 0.000 1.249 25 R HN 0.403 nan 8.270 nan 0.000 0.476 26 V N -3.275 116.427 119.914 -0.353 0.000 2.719 26 V HA -0.040 4.094 4.120 0.023 0.000 0.252 26 V C 1.854 177.888 176.094 -0.099 0.000 1.065 26 V CA 1.642 63.819 62.300 -0.206 0.000 1.086 26 V CB -0.255 31.426 31.823 -0.237 0.000 0.700 26 V HN 0.382 nan 8.190 nan 0.000 0.467 27 I N 0.324 120.816 120.570 -0.130 0.000 2.494 27 I HA 0.105 4.289 4.170 0.023 0.000 0.250 27 I C 1.246 177.366 176.117 0.007 0.000 1.112 27 I CA 1.317 62.602 61.300 -0.026 0.000 1.438 27 I CB 0.248 38.245 38.000 -0.006 0.000 1.111 27 I HN 0.411 nan 8.210 nan 0.000 0.431 28 S N 0.178 115.865 115.700 -0.020 0.000 2.575 28 S HA 0.281 4.765 4.470 0.023 0.000 0.278 28 S C -0.389 174.205 174.600 -0.010 0.000 1.139 28 S CA -0.737 57.473 58.200 0.016 0.000 0.954 28 S CB 1.151 64.372 63.200 0.035 0.000 1.054 28 S HN 0.275 nan 8.310 nan 0.000 0.483 29 N N 3.276 121.979 118.700 0.006 0.000 2.338 29 N HA 0.145 4.899 4.740 0.023 0.000 0.251 29 N C -0.474 175.004 175.510 -0.053 0.000 1.199 29 N CA -0.195 52.847 53.050 -0.013 0.000 0.879 29 N CB 0.266 38.773 38.487 0.033 0.000 1.159 29 N HN 0.657 nan 8.380 nan 0.000 0.514 30 Q N 0.265 120.037 119.800 -0.046 0.000 2.315 30 Q HA 0.047 4.401 4.340 0.023 0.000 0.289 30 Q C 1.218 177.181 176.000 -0.062 0.000 1.044 30 Q CA 0.093 55.849 55.803 -0.079 0.000 0.920 30 Q CB 1.067 29.814 28.738 0.014 0.000 1.214 30 Q HN 0.340 nan 8.270 nan 0.000 0.392 31 A N 3.220 125.994 122.820 -0.076 0.000 1.933 31 A HA -0.211 4.123 4.320 0.023 0.000 0.218 31 A C 1.793 179.435 177.584 0.097 0.000 1.175 31 A CA 1.459 53.506 52.037 0.016 0.000 0.628 31 A CB -0.396 18.627 19.000 0.039 0.000 0.814 31 A HN 0.823 nan 8.150 nan 0.000 0.444 32 I N -0.128 120.484 120.570 0.071 0.000 2.286 32 I HA -0.199 3.985 4.170 0.023 0.000 0.248 32 I C 2.185 178.289 176.117 -0.022 0.000 1.115 32 I CA 2.085 63.426 61.300 0.068 0.000 1.392 32 I CB -0.319 37.736 38.000 0.092 0.000 1.065 32 I HN 0.406 nan 8.210 nan 0.000 0.418 33 K N -0.459 119.925 120.400 -0.028 0.000 2.026 33 K HA -0.185 4.149 4.320 0.023 0.000 0.208 33 K C 2.379 178.964 176.600 -0.024 0.000 1.048 33 K CA 1.704 57.958 56.287 -0.055 0.000 0.929 33 K CB -0.370 32.113 32.500 -0.028 0.000 0.713 33 K HN 0.336 nan 8.250 nan 0.000 0.439 34 S N 0.569 116.282 115.700 0.023 0.000 2.368 34 S HA -0.197 4.286 4.470 0.023 0.000 0.225 34 S C 1.929 176.529 174.600 -0.000 0.000 1.030 34 S CA 1.642 59.893 58.200 0.085 0.000 0.999 34 S CB -0.285 63.014 63.200 0.164 0.000 0.844 34 S HN 0.492 nan 8.310 nan 0.000 0.459 35 E N 0.245 120.373 120.200 -0.120 0.000 2.051 35 E HA -0.126 4.238 4.350 0.023 0.000 0.192 35 E C 2.038 178.569 176.600 -0.116 0.000 0.991 35 E CA 1.453 57.600 56.400 -0.422 0.000 0.799 35 E CB -0.263 29.297 29.700 -0.233 0.000 0.748 35 E HN 0.634 nan 8.360 nan 0.000 0.449 36 I N 1.103 121.584 120.570 -0.147 0.000 2.286 36 I HA -0.241 3.943 4.170 0.023 0.000 0.248 36 I C 2.146 178.293 176.117 0.051 0.000 1.115 36 I CA 1.247 62.414 61.300 -0.222 0.000 1.392 36 I CB -0.251 37.429 38.000 -0.533 0.000 1.065 36 I HN 0.156 nan 8.210 nan 0.000 0.418 37 E N 0.380 120.625 120.200 0.074 0.000 2.409 37 E HA -0.223 4.141 4.350 0.023 0.000 0.198 37 E C 2.068 178.825 176.600 0.261 0.000 1.024 37 E CA 0.544 57.089 56.400 0.241 0.000 0.861 37 E CB -0.018 29.827 29.700 0.243 0.000 0.788 37 E HN 0.587 nan 8.360 nan 0.000 0.521 38 Q N -0.456 119.422 119.800 0.131 0.000 2.124 38 Q HA -0.173 4.181 4.340 0.023 0.000 0.202 38 Q C 1.417 177.422 176.000 0.009 0.000 0.977 38 Q CA 1.226 57.059 55.803 0.049 0.000 0.850 38 Q CB -0.099 28.558 28.738 -0.136 0.000 0.901 38 Q HN 0.434 nan 8.270 nan 0.000 0.429 39 Y N 0.110 120.436 120.300 0.043 0.000 2.293 39 Y HA -0.127 4.437 4.550 0.023 0.000 0.291 39 Y C 1.853 177.799 175.900 0.077 0.000 1.137 39 Y CA 0.833 58.980 58.100 0.078 0.000 1.202 39 Y CB 0.091 38.542 38.460 -0.015 0.000 0.990 39 Y HN 0.056 nan 8.280 nan 0.000 0.537 40 L N -2.465 118.862 121.223 0.174 0.000 2.408 40 L HA 0.122 4.476 4.340 0.023 0.000 0.215 40 L C -0.662 175.980 176.870 -0.379 0.000 1.081 40 L CA 0.237 55.036 54.840 -0.067 0.000 0.840 40 L CB 0.167 42.212 42.059 -0.024 0.000 1.002 40 L HN -0.043 nan 8.230 nan 0.000 0.468 41 F N 0.006 120.080 119.950 0.206 0.000 2.562 41 F HA 0.601 5.141 4.527 0.023 0.000 0.319 41 F C 0.131 176.008 175.800 0.128 0.000 1.154 41 F CA -0.882 57.217 58.000 0.165 0.000 0.931 41 F CB 1.263 40.327 39.000 0.106 0.000 1.198 41 F HN -0.275 nan 8.300 nan 0.000 0.444 42 A N 4.952 127.945 122.820 0.288 0.000 2.306 42 A HA 0.856 5.190 4.320 0.023 0.000 0.314 42 A C -2.564 175.137 177.584 0.194 0.000 1.164 42 A CA -1.676 50.518 52.037 0.263 0.000 0.822 42 A CB 0.622 19.847 19.000 0.375 0.000 1.130 42 A HN 0.407 nan 8.150 nan 0.000 0.496 43 P HA 0.317 nan 4.420 nan 0.000 0.278 43 P C 0.047 177.322 177.300 -0.042 0.000 1.266 43 P CA -0.326 62.799 63.100 0.042 0.000 0.807 43 P CB 0.576 32.329 31.700 0.088 0.000 1.094 44 F N -0.414 119.594 119.950 0.097 0.000 2.149 44 F HA 0.086 4.627 4.527 0.023 0.000 0.294 44 F C 1.350 177.126 175.800 -0.039 0.000 1.095 44 F CA 1.326 59.330 58.000 0.007 0.000 1.276 44 F CB -0.124 38.918 39.000 0.070 0.000 1.023 44 F HN 0.029 nan 8.300 nan 0.000 0.480 45 I N -0.217 120.453 120.570 0.167 0.000 2.436 45 I HA 0.405 4.589 4.170 0.023 0.000 0.289 45 I C 0.541 176.613 176.117 -0.076 0.000 1.010 45 I CA -0.500 60.808 61.300 0.014 0.000 1.098 45 I CB 0.724 38.775 38.000 0.085 0.000 1.266 45 I HN -0.013 nan 8.210 nan 0.000 0.434 46 G N 4.719 113.281 108.800 -0.396 0.000 2.552 46 G HA2 0.628 4.602 3.960 0.023 0.000 0.318 46 G HA3 0.628 4.602 3.960 0.023 0.000 0.318 46 G C -1.650 173.252 174.900 0.004 0.000 1.240 46 G CA -0.408 44.477 45.100 -0.358 0.000 1.002 46 G HN 0.392 nan 8.290 nan 0.000 0.493 47 F N 1.354 121.371 119.950 0.111 0.000 2.553 47 F HA 0.321 4.861 4.527 0.022 0.000 0.335 47 F C 0.156 175.928 175.800 -0.047 0.000 1.148 47 F CA -1.222 56.830 58.000 0.088 0.000 0.963 47 F CB 1.476 40.431 39.000 -0.076 0.000 1.217 47 F HN 0.642 nan 8.300 nan 0.000 0.441 48 N N 3.736 122.182 118.700 -0.423 0.000 2.366 48 N HA 0.333 5.086 4.740 0.023 0.000 0.277 48 N C 0.796 175.420 175.510 -1.476 0.000 1.275 48 N CA 0.024 52.320 53.050 -1.256 0.000 0.964 48 N CB 0.439 38.368 38.487 -0.929 0.000 1.167 48 N HN 0.508 nan 8.380 nan 0.000 0.568 49 A N -1.150 120.566 122.820 -1.840 0.000 2.067 49 A HA -0.100 4.233 4.320 0.023 0.000 0.219 49 A C 0.857 177.989 177.584 -0.752 0.000 1.158 49 A CA 1.206 52.442 52.037 -1.335 0.000 0.661 49 A CB -0.568 17.575 19.000 -1.430 0.000 0.801 49 A HN 0.689 nan 8.150 nan 0.000 0.452 50 D N -0.191 119.971 120.400 -0.396 0.000 2.325 50 D HA 0.169 4.823 4.640 0.023 0.000 0.225 50 D C 0.138 176.274 176.300 -0.273 0.000 1.096 50 D CA 0.588 54.539 54.000 -0.081 0.000 0.844 50 D CB 0.009 40.869 40.800 0.100 0.000 0.925 50 D HN 0.193 nan 8.370 nan 0.000 0.513 51 S N 0.407 115.750 115.700 -0.595 0.000 3.749 51 S HA -0.208 4.276 4.470 0.023 0.000 0.348 51 S C 0.002 174.013 174.600 -0.983 0.000 1.045 51 S CA 0.497 58.156 58.200 -0.901 0.000 1.051 51 S CB -1.255 61.809 63.200 -0.228 0.000 0.898 51 S HN 0.458 nan 8.310 nan 0.000 0.472 52 Q N 0.443 119.674 119.800 -0.947 0.000 2.375 52 Q HA 0.473 4.827 4.340 0.023 0.000 0.271 52 Q C -0.450 175.423 176.000 -0.211 0.000 1.074 52 Q CA -1.081 54.483 55.803 -0.397 0.000 0.808 52 Q CB 0.980 29.636 28.738 -0.137 0.000 1.327 52 Q HN 0.189 nan 8.270 nan 0.000 0.441 53 N N 1.844 120.619 118.700 0.124 0.000 2.508 53 N HA 0.365 5.119 4.740 0.023 0.000 0.264 53 N C -0.954 174.746 175.510 0.317 0.000 1.216 53 N CA 0.367 53.586 53.050 0.282 0.000 0.943 53 N CB 0.442 39.071 38.487 0.236 0.000 1.113 53 N HN 0.477 nan 8.380 nan 0.000 0.447 54 F N -0.838 119.194 119.950 0.136 0.000 2.631 54 F HA 0.613 5.153 4.527 0.023 0.000 0.308 54 F C -2.974 172.923 175.800 0.162 0.000 1.097 54 F CA -2.289 55.798 58.000 0.144 0.000 0.952 54 F CB 1.748 40.859 39.000 0.184 0.000 1.307 54 F HN 0.238 nan 8.300 nan 0.000 0.450 55 P HA 0.239 nan 4.420 nan 0.000 0.280 55 P C -0.547 176.726 177.300 -0.045 0.000 1.244 55 P CA -0.122 62.981 63.100 0.004 0.000 0.784 55 P CB 2.655 34.388 31.700 0.055 0.000 0.913 56 V N 3.665 123.505 119.914 -0.124 0.000 3.938 56 V HA 0.093 4.226 4.120 0.023 0.000 0.193 56 V C 2.134 178.132 176.094 -0.160 0.000 1.148 56 V CA 0.321 62.536 62.300 -0.142 0.000 1.354 56 V CB -0.817 30.948 31.823 -0.096 0.000 1.627 56 V HN 0.358 nan 8.190 nan 0.000 0.512 57 L N 0.600 121.778 121.223 -0.075 0.000 2.558 57 L HA 0.393 4.746 4.340 0.023 0.000 0.225 57 L C 0.967 177.871 176.870 0.056 0.000 1.128 57 L CA 0.373 55.171 54.840 -0.070 0.000 0.868 57 L CB -0.109 41.886 42.059 -0.106 0.000 1.006 57 L HN 0.386 nan 8.230 nan 0.000 0.454 58 A N -0.177 122.698 122.820 0.092 0.000 2.279 58 A HA 0.389 4.723 4.320 0.023 0.000 0.303 58 A C 1.345 178.909 177.584 -0.032 0.000 1.108 58 A CA 0.149 52.205 52.037 0.031 0.000 0.830 58 A CB 0.623 19.642 19.000 0.030 0.000 1.106 58 A HN 0.275 nan 8.150 nan 0.000 0.493 59 T N -1.573 112.946 114.554 -0.058 0.000 2.904 59 T HA 0.115 4.479 4.350 0.023 0.000 0.267 59 T C 0.401 175.082 174.700 -0.032 0.000 1.059 59 T CA 1.265 63.333 62.100 -0.053 0.000 1.137 59 T CB -0.478 68.353 68.868 -0.062 0.000 0.879 59 T HN 0.956 nan 8.240 nan 0.000 0.467 60 E N -0.417 119.765 120.200 -0.030 0.000 2.396 60 E HA 0.477 4.840 4.350 0.023 0.000 0.280 60 E C -1.790 174.808 176.600 -0.004 0.000 1.065 60 E CA -1.154 55.242 56.400 -0.005 0.000 0.831 60 E CB 1.340 31.034 29.700 -0.010 0.000 1.272 60 E HN -0.052 nan 8.360 nan 0.000 0.443 61 V N 2.233 122.163 119.914 0.027 0.000 2.572 61 V HA 0.226 4.359 4.120 0.023 0.000 0.291 61 V C -2.041 174.062 176.094 0.016 0.000 1.039 61 V CA -1.039 61.282 62.300 0.036 0.000 1.055 61 V CB 0.456 32.323 31.823 0.074 0.000 0.969 61 V HN 0.619 nan 8.190 nan 0.000 0.482 62 P HA 0.332 nan 4.420 nan 0.000 0.276 62 P C -0.287 177.022 177.300 0.015 0.000 1.230 62 P CA 0.088 63.182 63.100 -0.009 0.000 0.776 62 P CB 0.729 32.414 31.700 -0.024 0.000 0.888 63 T N -0.862 113.697 114.554 0.009 0.000 2.816 63 T HA 0.376 4.740 4.350 0.023 0.000 0.299 63 T C 0.860 175.566 174.700 0.010 0.000 1.230 63 T CA -0.827 61.285 62.100 0.019 0.000 1.007 63 T CB 0.567 69.450 68.868 0.024 0.000 1.289 63 T HN 0.031 nan 8.240 nan 0.000 0.508 64 L N 0.208 121.439 121.223 0.014 0.000 2.093 64 L HA -0.015 4.338 4.340 0.023 0.000 0.208 64 L C 2.671 179.541 176.870 0.001 0.000 1.085 64 L CA 1.410 56.254 54.840 0.005 0.000 0.755 64 L CB -0.577 41.487 42.059 0.008 0.000 0.904 64 L HN 0.721 nan 8.230 nan 0.000 0.435 65 E N 0.739 120.942 120.200 0.005 0.000 2.085 65 E HA -0.211 4.153 4.350 0.023 0.000 0.194 65 E C 1.532 178.131 176.600 -0.003 0.000 0.994 65 E CA 1.524 57.926 56.400 0.002 0.000 0.801 65 E CB -0.363 29.341 29.700 0.007 0.000 0.743 65 E HN 0.617 nan 8.360 nan 0.000 0.453 66 N N -0.886 117.811 118.700 -0.004 0.000 2.383 66 N HA 0.092 4.846 4.740 0.023 0.000 0.192 66 N C 0.993 176.492 175.510 -0.018 0.000 1.141 66 N CA 0.715 53.758 53.050 -0.010 0.000 0.851 66 N CB 0.498 38.979 38.487 -0.011 0.000 0.976 66 N HN 0.176 nan 8.380 nan 0.000 0.465 67 G N 0.473 109.264 108.800 -0.016 0.000 2.189 67 G HA2 -0.408 3.566 3.960 0.023 0.000 0.267 67 G HA3 -0.408 3.566 3.960 0.023 0.000 0.267 67 G C 1.105 175.989 174.900 -0.028 0.000 0.975 67 G CA 0.474 45.561 45.100 -0.021 0.000 0.644 67 G HN 0.482 nan 8.290 nan 0.000 0.537 68 R N -0.739 119.743 120.500 -0.031 0.000 2.276 68 R HA 0.299 4.653 4.340 0.023 0.000 0.203 68 R C 0.855 177.136 176.300 -0.032 0.000 1.017 68 R CA 0.427 56.499 56.100 -0.046 0.000 1.010 68 R CB 0.066 30.330 30.300 -0.059 0.000 0.900 68 R HN 0.409 nan 8.270 nan 0.000 0.469 69 L N 1.088 122.303 121.223 -0.015 0.000 2.322 69 L HA 0.441 4.795 4.340 0.023 0.000 0.281 69 L C -0.289 176.578 176.870 -0.005 0.000 1.014 69 L CA -0.621 54.218 54.840 -0.001 0.000 0.815 69 L CB 1.831 43.896 42.059 0.010 0.000 1.247 69 L HN -0.069 nan 8.230 nan 0.000 0.421 70 R N 2.797 123.296 120.500 -0.002 0.000 2.502 70 R HA 0.615 4.969 4.340 0.023 0.000 0.300 70 R C -1.428 174.866 176.300 -0.010 0.000 0.984 70 R CA -0.647 55.447 56.100 -0.010 0.000 0.882 70 R CB 2.663 32.955 30.300 -0.014 0.000 1.180 70 R HN 0.286 nan 8.270 nan 0.000 0.444 71 V N 2.496 122.394 119.914 -0.027 0.000 2.448 71 V HA 0.507 4.641 4.120 0.023 0.000 0.295 71 V C 0.038 176.100 176.094 -0.055 0.000 1.025 71 V CA -0.630 61.641 62.300 -0.048 0.000 0.859 71 V CB 1.877 33.650 31.823 -0.083 0.000 0.988 71 V HN 0.920 nan 8.190 nan 0.000 0.431 72 T N -0.047 114.475 114.554 -0.053 0.000 2.900 72 T HA 0.520 4.884 4.350 0.023 0.000 0.295 72 T C -0.960 173.706 174.700 -0.058 0.000 1.044 72 T CA -0.915 61.155 62.100 -0.049 0.000 0.995 72 T CB 1.975 70.824 68.868 -0.032 0.000 1.072 72 T HN 0.479 nan 8.240 nan 0.000 0.473 73 D N 1.957 122.323 120.400 -0.056 0.000 2.304 73 D HA 0.286 4.940 4.640 0.023 0.000 0.250 73 D C 0.966 177.244 176.300 -0.036 0.000 1.107 73 D CA -0.308 53.659 54.000 -0.056 0.000 0.885 73 D CB 1.480 42.247 40.800 -0.054 0.000 1.192 73 D HN 0.766 nan 8.370 nan 0.000 0.436 74 I N -1.461 119.092 120.570 -0.029 0.000 3.947 74 I HA 0.415 4.599 4.170 0.023 0.000 0.327 74 I C 0.586 176.696 176.117 -0.011 0.000 1.519 74 I CA -0.523 60.767 61.300 -0.016 0.000 1.122 74 I CB 0.436 38.430 38.000 -0.009 0.000 1.146 74 I HN 0.415 nan 8.210 nan 0.000 0.442 75 G N 0.748 109.538 108.800 -0.016 0.000 2.690 75 G HA2 0.200 4.174 3.960 0.023 0.000 0.686 75 G HA3 0.200 4.174 3.960 0.023 0.000 0.686 75 G C 0.529 175.425 174.900 -0.006 0.000 1.277 75 G CA -0.302 44.791 45.100 -0.011 0.000 0.799 75 G HN 1.408 nan 8.290 nan 0.000 0.613 76 G N -0.810 107.986 108.800 -0.006 0.000 2.233 76 G HA2 0.320 4.294 3.960 0.023 0.000 0.270 76 G HA3 0.320 4.294 3.960 0.023 0.000 0.270 76 G C 2.112 177.011 174.900 -0.002 0.000 1.011 76 G CA 1.161 46.260 45.100 -0.002 0.000 0.762 76 G HN 3.134 nan 8.290 nan 0.000 0.511 77 G N -1.619 107.174 108.800 -0.011 0.000 2.184 77 G HA2 -0.304 3.670 3.960 0.023 0.000 0.264 77 G HA3 -0.304 3.670 3.960 0.023 0.000 0.264 77 G C 0.466 175.358 174.900 -0.013 0.000 0.975 77 G CA 1.348 46.439 45.100 -0.016 0.000 0.642 77 G HN 0.987 nan 8.290 nan 0.000 0.536 78 K N 0.203 120.603 120.400 -0.001 0.000 2.098 78 K HA 0.654 4.987 4.320 0.023 0.000 0.257 78 K C 0.339 176.925 176.600 -0.022 0.000 0.999 78 K CA -0.208 56.090 56.287 0.018 0.000 0.924 78 K CB 0.864 33.389 32.500 0.042 0.000 1.028 78 K HN 0.258 nan 8.250 nan 0.000 0.466 79 K N 1.014 121.404 120.400 -0.016 0.000 2.480 79 K HA 0.386 4.720 4.320 0.023 0.000 0.258 79 K C -0.998 175.599 176.600 -0.004 0.000 0.990 79 K CA -1.030 55.222 56.287 -0.058 0.000 0.857 79 K CB 2.374 34.764 32.500 -0.183 0.000 1.384 79 K HN 0.368 nan 8.250 nan 0.000 0.446 80 R N 1.910 122.402 120.500 -0.013 0.000 2.387 80 R HA 0.418 4.771 4.340 0.023 0.000 0.314 80 R C -1.612 174.704 176.300 0.028 0.000 0.958 80 R CA -0.733 55.377 56.100 0.017 0.000 0.846 80 R CB 0.887 31.188 30.300 0.001 0.000 1.147 80 R HN 0.518 nan 8.270 nan 0.000 0.447 81 L N 3.148 124.427 121.223 0.093 0.000 2.333 81 L HA 0.470 4.824 4.340 0.023 0.000 0.280 81 L C -1.101 175.878 176.870 0.182 0.000 1.004 81 L CA -0.070 54.841 54.840 0.118 0.000 0.820 81 L CB 1.895 44.022 42.059 0.113 0.000 1.247 81 L HN 0.676 nan 8.230 nan 0.000 0.416 82 E N 5.765 126.026 120.200 0.102 0.000 2.187 82 E HA 0.431 4.795 4.350 0.023 0.000 0.268 82 E C -1.193 175.451 176.600 0.073 0.000 0.896 82 E CA -0.560 55.883 56.400 0.073 0.000 0.766 82 E CB 2.424 32.129 29.700 0.008 0.000 1.142 82 E HN 0.635 nan 8.360 nan 0.000 0.408 83 M N 3.493 123.141 119.600 0.080 0.000 2.053 83 M HA 0.249 4.743 4.480 0.023 0.000 0.297 83 M C -1.680 174.561 176.300 -0.098 0.000 0.921 83 M CA -0.696 54.627 55.300 0.039 0.000 0.918 83 M CB 1.050 33.752 32.600 0.170 0.000 1.499 83 M HN 0.299 nan 8.290 nan 0.000 0.422 84 D N 6.311 126.628 120.400 -0.138 0.000 2.317 84 D HA 0.436 5.090 4.640 0.023 0.000 0.252 84 D C -0.493 175.599 176.300 -0.346 0.000 1.174 84 D CA 0.354 54.209 54.000 -0.241 0.000 0.866 84 D CB 1.239 41.941 40.800 -0.163 0.000 1.127 84 D HN 0.595 nan 8.370 nan 0.000 0.467 85 I N 1.268 121.450 120.570 -0.647 0.000 2.509 85 I HA 0.225 4.409 4.170 0.023 0.000 0.293 85 I C -0.038 175.694 176.117 -0.642 0.000 1.020 85 I CA -0.576 60.286 61.300 -0.730 0.000 1.088 85 I CB 2.211 39.522 38.000 -1.147 0.000 1.267 85 I HN 0.031 nan 8.210 nan 0.000 0.430 86 T N 6.346 120.684 114.554 -0.361 0.000 2.786 86 T HA 0.541 4.905 4.350 0.023 0.000 0.283 86 T C -0.037 174.564 174.700 -0.164 0.000 0.992 86 T CA -0.384 61.587 62.100 -0.214 0.000 0.954 86 T CB 0.969 69.754 68.868 -0.139 0.000 0.934 86 T HN 0.250 nan 8.240 nan 0.000 0.440 87 I N 3.207 123.710 120.570 -0.111 0.000 2.529 87 I HA 0.224 4.408 4.170 0.023 0.000 0.284 87 I C 1.138 177.220 176.117 -0.058 0.000 1.082 87 I CA -0.581 60.680 61.300 -0.065 0.000 1.406 87 I CB 0.590 38.576 38.000 -0.024 0.000 1.405 87 I HN 0.373 nan 8.210 nan 0.000 0.548 88 R N 7.434 127.896 120.500 -0.063 0.000 2.640 88 R HA 0.026 4.380 4.340 0.023 0.000 0.270 88 R C -1.257 174.994 176.300 -0.083 0.000 1.024 88 R CA -0.896 55.152 56.100 -0.086 0.000 1.085 88 R CB 0.232 30.456 30.300 -0.126 0.000 0.963 88 R HN 0.475 nan 8.270 nan 0.000 0.426 89 P HA -0.151 nan 4.420 nan 0.000 0.222 89 P C -0.042 177.216 177.300 -0.070 0.000 1.147 89 P CA 1.290 64.354 63.100 -0.061 0.000 0.790 89 P CB 0.202 31.872 31.700 -0.051 0.000 0.780 90 D N -0.849 119.493 120.400 -0.096 0.000 2.368 90 D HA 0.201 4.855 4.640 0.023 0.000 0.218 90 D C 0.459 176.674 176.300 -0.141 0.000 1.112 90 D CA -0.596 53.340 54.000 -0.107 0.000 0.834 90 D CB -0.606 40.124 40.800 -0.116 0.000 0.953 90 D HN 0.014 nan 8.370 nan 0.000 0.505 91 A N 0.695 123.423 122.820 -0.153 0.000 2.451 91 A HA 0.456 4.790 4.320 0.023 0.000 0.266 91 A C 0.171 177.643 177.584 -0.186 0.000 1.119 91 A CA -0.133 51.784 52.037 -0.200 0.000 0.786 91 A CB 0.246 19.125 19.000 -0.202 0.000 1.061 91 A HN 0.140 nan 8.150 nan 0.000 0.503 92 K N 1.531 121.823 120.400 -0.180 0.000 2.482 92 K HA 0.386 4.719 4.320 0.023 0.000 0.257 92 K C -1.328 175.214 176.600 -0.097 0.000 0.969 92 K CA -0.526 55.692 56.287 -0.116 0.000 0.842 92 K CB 1.674 34.169 32.500 -0.007 0.000 1.359 92 K HN 0.750 nan 8.250 nan 0.000 0.441 93 W N 0.623 121.991 121.300 0.114 0.000 2.086 93 W HA 0.013 4.686 4.660 0.023 0.000 0.355 93 W C 1.722 178.321 176.519 0.134 0.000 1.313 93 W CA -0.089 57.351 57.345 0.158 0.000 1.358 93 W CB 0.663 30.256 29.460 0.222 0.000 1.166 93 W HN 0.742 nan 8.180 nan 0.000 0.630 94 S N -0.452 115.506 115.700 0.431 0.000 2.469 94 S HA -0.235 4.249 4.470 0.023 0.000 0.238 94 S C 0.946 175.697 174.600 0.250 0.000 0.998 94 S CA 1.475 59.855 58.200 0.299 0.000 0.957 94 S CB -0.476 62.926 63.200 0.337 0.000 0.764 94 S HN 0.622 nan 8.310 nan 0.000 0.514 95 D N -0.062 120.505 120.400 0.278 0.000 2.339 95 D HA 0.288 4.942 4.640 0.023 0.000 0.217 95 D C 1.409 177.812 176.300 0.172 0.000 1.050 95 D CA 0.543 54.670 54.000 0.211 0.000 0.856 95 D CB -0.455 40.477 40.800 0.220 0.000 0.922 95 D HN 0.536 nan 8.370 nan 0.000 0.518 96 G N 0.176 109.085 108.800 0.182 0.000 2.213 96 G HA2 -0.263 3.711 3.960 0.023 0.000 0.236 96 G HA3 -0.263 3.711 3.960 0.023 0.000 0.236 96 G C 0.292 175.258 174.900 0.110 0.000 0.991 96 G CA -0.381 44.792 45.100 0.122 0.000 0.629 96 G HN 0.295 nan 8.290 nan 0.000 0.517 97 R N 1.710 122.294 120.500 0.140 0.000 2.491 97 R HA 0.328 4.681 4.340 0.023 0.000 0.283 97 R C -2.137 174.270 176.300 0.177 0.000 1.072 97 R CA -1.599 54.544 56.100 0.072 0.000 1.048 97 R CB 0.233 30.414 30.300 -0.199 0.000 0.983 97 R HN 0.325 nan 8.270 nan 0.000 0.450 98 P HA 0.113 nan 4.420 nan 0.000 0.271 98 P C -0.110 177.249 177.300 0.099 0.000 1.218 98 P CA -0.020 63.112 63.100 0.053 0.000 0.780 98 P CB 0.703 32.416 31.700 0.023 0.000 0.901 99 I N 2.409 122.929 120.570 -0.084 0.000 2.325 99 I HA 0.219 4.403 4.170 0.023 0.000 0.291 99 I C 1.276 177.397 176.117 0.008 0.000 1.019 99 I CA 0.254 61.476 61.300 -0.131 0.000 1.302 99 I CB 1.005 38.702 38.000 -0.505 0.000 1.401 99 I HN 0.459 nan 8.210 nan 0.000 0.485 100 T N -0.196 114.434 114.554 0.126 0.000 2.831 100 T HA 0.229 4.593 4.350 0.023 0.000 0.287 100 T C 0.982 175.732 174.700 0.083 0.000 1.070 100 T CA -0.125 62.025 62.100 0.084 0.000 1.010 100 T CB 1.437 70.357 68.868 0.087 0.000 1.264 100 T HN 0.587 nan 8.240 nan 0.000 0.532 101 T N -1.659 112.914 114.554 0.033 0.000 3.051 101 T HA 0.010 4.374 4.350 0.023 0.000 0.269 101 T C 1.281 176.012 174.700 0.052 0.000 1.127 101 T CA 1.060 63.141 62.100 -0.032 0.000 1.107 101 T CB -0.616 68.242 68.868 -0.016 0.000 0.898 101 T HN 0.729 nan 8.240 nan 0.000 0.517 102 E N 1.252 121.520 120.200 0.114 0.000 2.150 102 E HA -0.113 4.251 4.350 0.023 0.000 0.193 102 E C 1.661 178.405 176.600 0.240 0.000 0.985 102 E CA 1.101 57.593 56.400 0.153 0.000 0.814 102 E CB -0.068 29.712 29.700 0.134 0.000 0.752 102 E HN 0.593 nan 8.360 nan 0.000 0.466 103 D N 0.314 120.892 120.400 0.297 0.000 2.224 103 D HA -0.081 4.573 4.640 0.023 0.000 0.205 103 D C 2.042 178.599 176.300 0.428 0.000 0.965 103 D CA 0.606 54.875 54.000 0.448 0.000 0.852 103 D CB 0.181 41.380 40.800 0.665 0.000 0.947 103 D HN 0.043 nan 8.370 nan 0.000 0.494 104 V N 1.568 121.638 119.914 0.259 0.000 2.407 104 V HA -0.140 3.993 4.120 0.023 0.000 0.245 104 V C 2.603 178.898 176.094 0.334 0.000 1.041 104 V CA 1.558 63.971 62.300 0.189 0.000 1.040 104 V CB -0.668 30.941 31.823 -0.357 0.000 0.671 104 V HN 0.136 nan 8.190 nan 0.000 0.455 105 A N -0.301 122.658 122.820 0.231 0.000 1.908 105 A HA -0.258 4.076 4.320 0.023 0.000 0.218 105 A C 2.163 179.958 177.584 0.352 0.000 1.181 105 A CA 2.119 54.311 52.037 0.259 0.000 0.627 105 A CB -0.762 18.347 19.000 0.183 0.000 0.818 105 A HN 0.569 nan 8.150 nan 0.000 0.445 106 F N -1.137 118.923 119.950 0.183 0.000 2.102 106 F HA -0.234 4.307 4.527 0.023 0.000 0.298 106 F C 2.200 178.048 175.800 0.080 0.000 1.105 106 F CA 2.101 60.160 58.000 0.098 0.000 1.239 106 F CB -0.359 38.671 39.000 0.049 0.000 0.991 106 F HN 0.368 nan 8.300 nan 0.000 0.474 107 Y N 0.118 120.315 120.300 -0.170 0.000 2.128 107 Y HA -0.311 4.252 4.550 0.023 0.000 0.284 107 Y C 1.955 177.807 175.900 -0.079 0.000 1.154 107 Y CA 2.107 60.054 58.100 -0.255 0.000 1.149 107 Y CB -0.920 37.501 38.460 -0.064 0.000 0.976 107 Y HN 0.130 nan 8.280 nan 0.000 0.505 108 F N 0.551 120.670 119.950 0.282 0.000 2.186 108 F HA -0.136 4.405 4.527 0.023 0.000 0.299 108 F C 2.582 178.415 175.800 0.054 0.000 1.090 108 F CA 1.875 60.070 58.000 0.325 0.000 1.307 108 F CB -0.426 38.785 39.000 0.351 0.000 1.019 108 F HN 0.144 nan 8.300 nan 0.000 0.489 109 E N 0.096 120.380 120.200 0.140 0.000 2.077 109 E HA -0.169 4.195 4.350 0.023 0.000 0.193 109 E C 2.224 178.726 176.600 -0.163 0.000 0.989 109 E CA 1.340 57.791 56.400 0.085 0.000 0.800 109 E CB -0.023 29.808 29.700 0.218 0.000 0.746 109 E HN 0.185 nan 8.360 nan 0.000 0.452 110 V N 0.329 119.875 119.914 -0.615 0.000 2.307 110 V HA -0.165 3.969 4.120 0.023 0.000 0.245 110 V C 2.389 177.993 176.094 -0.817 0.000 1.045 110 V CA 1.850 63.557 62.300 -0.987 0.000 1.024 110 V CB -0.854 30.252 31.823 -1.194 0.000 0.651 110 V HN 0.479 nan 8.190 nan 0.000 0.449 111 G N -0.346 107.820 108.800 -1.056 0.000 2.432 111 G HA2 -0.188 3.786 3.960 0.023 0.000 0.219 111 G HA3 -0.188 3.786 3.960 0.023 0.000 0.219 111 G C 1.551 175.690 174.900 -1.269 0.000 1.135 111 G CA 0.410 44.378 45.100 -1.888 0.000 0.767 111 G HN 0.377 nan 8.290 nan 0.000 0.550 112 K N 0.768 120.863 120.400 -0.509 0.000 2.426 112 K HA 0.287 4.621 4.320 0.023 0.000 0.193 112 K C 1.281 177.846 176.600 -0.059 0.000 1.028 112 K CA 0.203 56.444 56.287 -0.076 0.000 1.047 112 K CB 0.108 32.699 32.500 0.152 0.000 0.821 112 K HN 0.276 nan 8.250 nan 0.000 0.513 113 A N 3.005 125.750 122.820 -0.126 0.000 2.540 113 A HA -0.022 4.312 4.320 0.023 0.000 0.239 113 A C 0.216 177.802 177.584 0.003 0.000 1.061 113 A CA -0.113 51.921 52.037 -0.004 0.000 0.758 113 A CB -0.219 18.794 19.000 0.022 0.000 0.991 113 A HN 0.319 nan 8.150 nan 0.000 0.502 114 K N 2.254 122.717 120.400 0.104 0.000 2.472 114 K HA 0.336 4.670 4.320 0.023 0.000 0.280 114 K C 0.844 177.574 176.600 0.217 0.000 1.028 114 K CA 0.363 56.724 56.287 0.125 0.000 1.045 114 K CB -0.121 32.447 32.500 0.113 0.000 0.902 114 K HN 1.880 nan 8.250 nan 0.000 0.478 115 G N 2.507 111.406 108.800 0.165 0.000 2.155 115 G HA2 -0.324 3.650 3.960 0.023 0.000 0.257 115 G HA3 -0.324 3.650 3.960 0.023 0.000 0.257 115 G C -0.049 175.024 174.900 0.288 0.000 0.983 115 G CA 0.332 45.571 45.100 0.230 0.000 0.676 115 G HN 0.719 nan 8.290 nan 0.000 0.528 116 M N 2.360 121.991 119.600 0.052 0.000 2.246 116 M HA 0.401 4.894 4.480 0.023 0.000 0.350 116 M C -1.540 174.758 176.300 -0.002 0.000 1.406 116 M CA -2.436 52.768 55.300 -0.159 0.000 1.089 116 M CB 0.435 32.769 32.600 -0.443 0.000 1.782 116 M HN 0.003 nan 8.290 nan 0.000 0.457 117 P HA 0.062 nan 4.420 nan 0.000 0.232 117 P C -0.551 176.769 177.300 0.032 0.000 1.738 117 P CA -0.204 62.970 63.100 0.123 0.000 0.948 117 P CB -1.120 30.697 31.700 0.194 0.000 1.943 118 V N -1.088 118.812 119.914 -0.024 0.000 2.963 118 V HA 0.048 4.182 4.120 0.023 0.000 0.306 118 V C 1.742 177.887 176.094 0.085 0.000 1.077 118 V CA -0.119 62.166 62.300 -0.025 0.000 1.124 118 V CB 0.279 32.075 31.823 -0.046 0.000 0.987 118 V HN 0.083 nan 8.190 nan 0.000 0.487 119 L N 0.930 122.208 121.223 0.090 0.000 2.156 119 L HA 0.097 4.450 4.340 0.023 0.000 0.208 119 L C 1.227 178.178 176.870 0.135 0.000 1.095 119 L CA 1.291 56.194 54.840 0.106 0.000 0.770 119 L CB -0.252 41.852 42.059 0.075 0.000 0.914 119 L HN 0.896 nan 8.230 nan 0.000 0.439 120 N N -0.611 118.208 118.700 0.197 0.000 2.804 120 N HA 0.192 4.946 4.740 0.023 0.000 0.251 120 N C -2.147 173.570 175.510 0.345 0.000 1.250 120 N CA -1.959 51.224 53.050 0.223 0.000 0.820 120 N CB 1.206 39.791 38.487 0.163 0.000 1.156 120 N HN -0.208 nan 8.380 nan 0.000 0.512 121 P HA -0.064 nan 4.420 nan 0.000 0.222 121 P C 0.694 178.151 177.300 0.262 0.000 1.147 121 P CA 0.873 64.144 63.100 0.285 0.000 0.790 121 P CB 0.470 32.275 31.700 0.175 0.000 0.780 122 D N -1.252 119.284 120.400 0.226 0.000 2.097 122 D HA -0.211 4.443 4.640 0.023 0.000 0.195 122 D C 1.691 178.072 176.300 0.134 0.000 0.989 122 D CA 0.817 54.928 54.000 0.184 0.000 0.827 122 D CB -0.654 40.286 40.800 0.233 0.000 0.966 122 D HN 0.016 nan 8.370 nan 0.000 0.456 123 F N -0.237 119.707 119.950 -0.011 0.000 2.095 123 F HA -0.116 4.425 4.527 0.023 0.000 0.298 123 F C 1.445 177.073 175.800 -0.287 0.000 1.104 123 F CA 1.498 59.385 58.000 -0.189 0.000 1.232 123 F CB -0.576 38.256 39.000 -0.281 0.000 0.987 123 F HN 0.089 nan 8.300 nan 0.000 0.475 124 W N 0.692 122.158 121.300 0.275 0.000 2.721 124 W HA -0.041 4.633 4.660 0.023 0.000 0.245 124 W C 2.106 178.638 176.519 0.021 0.000 1.276 124 W CA 0.446 57.874 57.345 0.138 0.000 1.342 124 W CB -0.070 29.483 29.460 0.155 0.000 1.135 124 W HN 0.010 nan 8.180 nan 0.000 0.654 125 E N -0.022 120.256 120.200 0.130 0.000 2.166 125 E HA -0.023 4.340 4.350 0.023 0.000 0.192 125 E C 2.087 178.671 176.600 -0.027 0.000 0.967 125 E CA 0.841 57.286 56.400 0.076 0.000 0.840 125 E CB -0.186 29.559 29.700 0.076 0.000 0.795 125 E HN 0.476 nan 8.360 nan 0.000 0.470 126 R N 0.130 120.546 120.500 -0.139 0.000 2.362 126 R HA 0.224 4.577 4.340 0.023 0.000 0.227 126 R C 0.246 176.357 176.300 -0.314 0.000 0.905 126 R CA 0.074 56.057 56.100 -0.195 0.000 1.067 126 R CB 0.413 30.581 30.300 -0.219 0.000 1.078 126 R HN -0.189 nan 8.270 nan 0.000 0.516 127 V N 1.861 121.478 119.914 -0.494 0.000 2.513 127 V HA 0.405 4.538 4.120 0.023 0.000 0.299 127 V C -0.527 175.388 176.094 -0.299 0.000 1.035 127 V CA -0.852 61.052 62.300 -0.659 0.000 0.889 127 V CB 1.601 32.608 31.823 -1.359 0.000 0.988 127 V HN 0.269 nan 8.190 nan 0.000 0.440 128 N N 1.373 119.886 118.700 -0.312 0.000 2.774 128 N HA 0.709 5.463 4.740 0.023 0.000 0.264 128 N C -1.673 173.503 175.510 -0.557 0.000 1.415 128 N CA -0.377 52.520 53.050 -0.257 0.000 0.815 128 N CB 2.688 41.078 38.487 -0.162 0.000 1.514 128 N HN 0.445 nan 8.380 nan 0.000 0.523 129 V N 0.230 119.755 119.914 -0.649 0.000 2.925 129 V HA 0.584 4.718 4.120 0.023 0.000 0.311 129 V C -1.160 174.770 176.094 -0.273 0.000 1.104 129 V CA -0.678 61.268 62.300 -0.590 0.000 0.954 129 V CB 2.416 33.632 31.823 -1.011 0.000 1.022 129 V HN 0.664 nan 8.190 nan 0.000 0.427 130 R N 5.786 126.200 120.500 -0.142 0.000 2.476 130 R HA 0.597 4.951 4.340 0.023 0.000 0.305 130 R C -1.473 174.826 176.300 -0.001 0.000 0.965 130 R CA -0.714 55.347 56.100 -0.066 0.000 0.867 130 R CB 1.399 31.665 30.300 -0.057 0.000 1.176 130 R HN 0.655 nan 8.270 nan 0.000 0.447 131 I N 5.172 125.746 120.570 0.008 0.000 2.331 131 I HA 0.131 4.315 4.170 0.023 0.000 0.292 131 I C 0.958 177.094 176.117 0.033 0.000 0.998 131 I CA -0.046 61.281 61.300 0.045 0.000 1.267 131 I CB 1.559 39.578 38.000 0.032 0.000 1.386 131 I HN 0.808 nan 8.210 nan 0.000 0.476 132 K N 3.920 124.345 120.400 0.040 0.000 2.141 132 K HA 0.012 4.346 4.320 0.023 0.000 0.202 132 K C -0.184 176.428 176.600 0.019 0.000 1.045 132 K CA 0.864 57.161 56.287 0.017 0.000 0.971 132 K CB 0.566 33.067 32.500 0.001 0.000 0.795 132 K HN 0.875 nan 8.250 nan 0.000 0.459 133 D N -3.009 117.409 120.400 0.030 0.000 2.946 133 D HA 0.220 4.873 4.640 0.023 0.000 0.337 133 D C 0.247 176.569 176.300 0.036 0.000 1.332 133 D CA -0.209 53.806 54.000 0.026 0.000 0.935 133 D CB 0.326 41.133 40.800 0.013 0.000 1.440 133 D HN -0.078 nan 8.370 nan 0.000 0.540 134 A N -0.778 122.060 122.820 0.029 0.000 2.024 134 A HA -0.112 4.222 4.320 0.023 0.000 0.220 134 A C 1.694 179.299 177.584 0.034 0.000 1.164 134 A CA 1.361 53.417 52.037 0.032 0.000 0.643 134 A CB -0.580 18.435 19.000 0.024 0.000 0.806 134 A HN 0.440 nan 8.150 nan 0.000 0.451 135 R N -1.279 119.239 120.500 0.030 0.000 2.549 135 R HA 0.199 4.553 4.340 0.023 0.000 0.344 135 R C -0.881 175.445 176.300 0.045 0.000 0.979 135 R CA -0.191 55.926 56.100 0.028 0.000 1.140 135 R CB 0.457 30.754 30.300 -0.006 0.000 1.377 135 R HN 0.330 nan 8.270 nan 0.000 0.541 136 N N 1.203 119.942 118.700 0.065 0.000 2.346 136 N HA 0.318 5.072 4.740 0.023 0.000 0.289 136 N C -1.252 174.335 175.510 0.128 0.000 1.027 136 N CA -0.254 52.812 53.050 0.027 0.000 0.864 136 N CB 1.981 40.450 38.487 -0.029 0.000 1.370 136 N HN -0.078 nan 8.380 nan 0.000 0.481 137 F N -1.193 118.674 119.950 -0.138 0.000 2.643 137 F HA 0.657 5.197 4.527 0.023 0.000 0.314 137 F C -0.801 174.922 175.800 -0.129 0.000 1.096 137 F CA -0.804 57.118 58.000 -0.130 0.000 0.953 137 F CB 1.372 40.287 39.000 -0.141 0.000 1.345 137 F HN 0.003 nan 8.300 nan 0.000 0.468 138 T N 2.968 117.504 114.554 -0.029 0.000 2.841 138 T HA 0.557 4.921 4.350 0.023 0.000 0.285 138 T C -0.690 173.968 174.700 -0.069 0.000 0.991 138 T CA -0.487 61.539 62.100 -0.124 0.000 0.966 138 T CB 1.268 70.082 68.868 -0.090 0.000 0.962 138 T HN 0.608 nan 8.240 nan 0.000 0.438 139 L N 4.002 125.179 121.223 -0.077 0.000 2.305 139 L HA 0.571 4.925 4.340 0.023 0.000 0.281 139 L C -0.349 176.369 176.870 -0.254 0.000 1.085 139 L CA -0.697 54.046 54.840 -0.162 0.000 0.813 139 L CB 0.808 42.851 42.059 -0.027 0.000 1.157 139 L HN 0.525 nan 8.230 nan 0.000 0.436 140 I N 3.323 123.628 120.570 -0.442 0.000 2.382 140 I HA 0.318 4.502 4.170 0.023 0.000 0.286 140 I C -0.916 174.912 176.117 -0.482 0.000 1.002 140 I CA -0.220 60.898 61.300 -0.303 0.000 1.135 140 I CB 1.212 39.095 38.000 -0.195 0.000 1.288 140 I HN 0.324 nan 8.210 nan 0.000 0.448 141 F N 4.812 124.696 119.950 -0.110 0.000 2.402 141 F HA 0.513 5.054 4.527 0.024 0.000 0.355 141 F C 0.256 175.981 175.800 -0.124 0.000 1.123 141 F CA -0.526 57.379 58.000 -0.159 0.000 1.021 141 F CB 1.299 40.213 39.000 -0.143 0.000 1.160 141 F HN 0.411 nan 8.300 nan 0.000 0.451 142 E N 5.793 125.987 120.200 -0.010 0.000 2.334 142 E HA 0.267 4.631 4.350 0.023 0.000 0.280 142 E C -2.877 173.706 176.600 -0.028 0.000 0.899 142 E CA -2.103 54.294 56.400 -0.005 0.000 0.813 142 E CB 2.184 31.875 29.700 -0.015 0.000 1.318 142 E HN 0.223 nan 8.360 nan 0.000 0.399 143 P HA 0.212 nan 4.420 nan 0.000 0.275 143 P C -0.757 176.578 177.300 0.058 0.000 1.228 143 P CA -0.346 62.795 63.100 0.069 0.000 0.786 143 P CB 1.349 33.136 31.700 0.144 0.000 0.927 144 A N 3.366 126.270 122.820 0.141 0.000 2.340 144 A HA 0.421 4.755 4.320 0.023 0.000 0.268 144 A C -0.434 177.371 177.584 0.368 0.000 1.100 144 A CA -0.444 51.690 52.037 0.162 0.000 0.803 144 A CB 0.010 19.121 19.000 0.186 0.000 1.043 144 A HN 0.568 nan 8.150 nan 0.000 0.488 145 Y N 0.015 120.216 120.300 -0.166 0.000 2.496 145 Y HA 0.248 4.812 4.550 0.023 0.000 0.331 145 Y C 1.248 176.601 175.900 -0.911 0.000 1.140 145 Y CA -0.872 56.930 58.100 -0.497 0.000 1.166 145 Y CB 1.205 39.129 38.460 -0.892 0.000 1.249 145 Y HN 0.921 nan 8.280 nan 0.000 0.479 146 Y N -0.452 119.138 120.300 -1.184 0.000 2.384 146 Y HA -0.288 4.276 4.550 0.023 0.000 0.289 146 Y C 1.181 176.483 175.900 -0.996 0.000 1.152 146 Y CA 1.128 58.327 58.100 -1.501 0.000 1.258 146 Y CB -1.076 36.766 38.460 -1.030 0.000 0.979 146 Y HN 0.545 nan 8.280 nan 0.000 0.549 147 Y N -1.999 117.347 120.300 -1.589 0.000 2.485 147 Y HA 0.405 4.968 4.550 0.022 0.000 0.260 147 Y C 0.920 176.137 175.900 -1.138 0.000 1.173 147 Y CA -0.529 56.407 58.100 -1.939 0.000 1.252 147 Y CB -0.275 37.127 38.460 -1.764 0.000 1.123 147 Y HN -0.043 nan 8.280 nan 0.000 0.524 148 D N 1.571 121.619 120.400 -0.587 0.000 2.263 148 D HA -0.136 4.518 4.640 0.023 0.000 0.208 148 D C 1.899 177.927 176.300 -0.453 0.000 0.971 148 D CA 1.941 55.610 54.000 -0.551 0.000 0.867 148 D CB -0.070 40.106 40.800 -1.040 0.000 0.929 148 D HN 0.608 nan 8.370 nan 0.000 0.492 149 T N -2.517 111.865 114.554 -0.286 0.000 3.086 149 T HA -0.023 4.341 4.350 0.023 0.000 0.250 149 T C 0.553 175.342 174.700 0.149 0.000 1.074 149 T CA -0.418 61.655 62.100 -0.044 0.000 0.988 149 T CB -0.253 68.640 68.868 0.043 0.000 0.988 149 T HN -0.140 nan 8.240 nan 0.000 0.530 150 Y N 2.735 122.944 120.300 -0.152 0.000 2.436 150 Y HA 0.601 5.164 4.550 0.023 0.000 0.336 150 Y C 1.347 177.072 175.900 -0.291 0.000 1.049 150 Y CA -1.680 56.265 58.100 -0.258 0.000 1.294 150 Y CB -0.159 38.060 38.460 -0.401 0.000 1.179 150 Y HN 0.237 nan 8.280 nan 0.000 0.520 151 G N 5.161 113.900 108.800 -0.103 0.000 2.616 151 G HA2 0.388 4.362 3.960 0.023 0.000 0.268 151 G HA3 0.388 4.362 3.960 0.023 0.000 0.268 151 G C -2.506 172.228 174.900 -0.277 0.000 1.213 151 G CA -1.253 43.810 45.100 -0.062 0.000 0.926 151 G HN 0.369 nan 8.290 nan 0.000 0.523 152 P HA 0.335 nan 4.420 nan 0.000 0.276 152 P C -0.705 176.628 177.300 0.055 0.000 1.252 152 P CA -0.222 62.901 63.100 0.038 0.000 0.802 152 P CB 1.510 33.262 31.700 0.087 0.000 1.035 153 I N 1.574 122.217 120.570 0.122 0.000 2.411 153 I HA 0.329 4.513 4.170 0.023 0.000 0.284 153 I C 0.229 176.480 176.117 0.224 0.000 1.012 153 I CA -0.230 61.190 61.300 0.200 0.000 1.119 153 I CB 1.077 39.246 38.000 0.281 0.000 1.261 153 I HN 0.361 nan 8.210 nan 0.000 0.448 154 N N 4.704 123.485 118.700 0.135 0.000 2.609 154 N HA 0.277 5.031 4.740 0.023 0.000 0.268 154 N C -0.675 174.742 175.510 -0.156 0.000 1.106 154 N CA -0.292 52.771 53.050 0.023 0.000 0.823 154 N CB 1.023 39.498 38.487 -0.020 0.000 1.263 154 N HN 0.617 nan 8.380 nan 0.000 0.533 155 T N 0.342 114.864 114.554 -0.053 0.000 3.514 155 T HA 0.308 4.672 4.350 0.023 0.000 0.259 155 T C -0.836 173.634 174.700 -0.383 0.000 1.466 155 T CA -0.468 61.230 62.100 -0.669 0.000 1.562 155 T CB -0.561 68.320 68.868 0.021 0.000 0.924 155 T HN 0.446 nan 8.240 nan 0.000 0.678 156 Y N -1.196 118.727 120.300 -0.630 0.000 2.641 156 Y HA 0.862 5.425 4.550 0.023 0.000 0.333 156 Y C -1.498 174.375 175.900 -0.045 0.000 1.174 156 Y CA -1.998 56.037 58.100 -0.109 0.000 1.057 156 Y CB 0.845 39.351 38.460 0.077 0.000 1.322 156 Y HN 0.484 nan 8.280 nan 0.000 0.457 157 A N 1.911 124.761 122.820 0.050 0.000 2.606 157 A HA 0.781 5.114 4.320 0.023 0.000 0.293 157 A C -3.215 174.475 177.584 0.176 0.000 1.082 157 A CA -1.990 49.932 52.037 -0.191 0.000 0.685 157 A CB 1.758 20.095 19.000 -1.105 0.000 1.284 157 A HN 0.565 nan 8.150 nan 0.000 0.408 158 P HA 0.082 nan 4.420 nan 0.000 0.266 158 P C 0.170 177.137 177.300 -0.556 0.000 1.419 158 P CA 0.185 62.828 63.100 -0.761 0.000 1.112 158 P CB 0.677 31.492 31.700 -1.474 0.000 1.438 159 K N 3.889 124.075 120.400 -0.357 0.000 2.097 159 K HA -0.193 4.141 4.320 0.023 0.000 0.206 159 K C 1.917 178.240 176.600 -0.462 0.000 1.049 159 K CA 1.279 57.138 56.287 -0.714 0.000 0.933 159 K CB -0.285 32.019 32.500 -0.326 0.000 0.717 159 K HN 0.528 nan 8.250 nan 0.000 0.442 160 H N -0.233 118.637 119.070 -0.333 0.000 2.521 160 H HA -0.061 4.509 4.556 0.023 0.000 0.286 160 H C 1.612 176.808 175.328 -0.219 0.000 1.034 160 H CA 0.851 56.766 56.048 -0.222 0.000 1.278 160 H CB 0.075 29.751 29.762 -0.143 0.000 1.386 160 H HN 0.179 nan 8.280 nan 0.000 0.567 161 I N 0.539 120.661 120.570 -0.746 0.000 2.729 161 I HA -0.001 4.182 4.170 0.023 0.000 0.256 161 I C 2.336 178.242 176.117 -0.351 0.000 1.115 161 I CA 0.543 61.516 61.300 -0.545 0.000 1.446 161 I CB -0.379 37.217 38.000 -0.673 0.000 1.176 161 I HN 0.197 nan 8.210 nan 0.000 0.446 162 M N 0.037 119.311 119.600 -0.544 0.000 2.492 162 M HA 0.185 4.679 4.480 0.023 0.000 0.255 162 M C 2.086 178.324 176.300 -0.104 0.000 1.139 162 M CA 0.588 55.593 55.300 -0.491 0.000 1.096 162 M CB -0.254 32.048 32.600 -0.497 0.000 1.360 162 M HN 0.177 nan 8.290 nan 0.000 0.480 163 G N 2.300 110.840 108.800 -0.433 0.000 2.476 163 G HA2 -0.173 3.801 3.960 0.023 0.000 0.218 163 G HA3 -0.173 3.801 3.960 0.023 0.000 0.218 163 G C -1.020 173.932 174.900 0.087 0.000 1.164 163 G CA 0.815 45.758 45.100 -0.261 0.000 0.768 163 G HN 0.315 nan 8.290 nan 0.000 0.560 164 P HA -0.086 nan 4.420 nan 0.000 0.215 164 P C 1.620 179.022 177.300 0.170 0.000 1.157 164 P CA 1.633 64.797 63.100 0.107 0.000 0.868 164 P CB 0.067 31.821 31.700 0.089 0.000 0.788 165 E N -0.999 119.381 120.200 0.299 0.000 2.106 165 E HA -0.192 4.172 4.350 0.023 0.000 0.192 165 E C 1.872 178.658 176.600 0.309 0.000 0.984 165 E CA 1.098 57.720 56.400 0.370 0.000 0.806 165 E CB -1.153 28.934 29.700 0.645 0.000 0.750 165 E HN 0.311 nan 8.360 nan 0.000 0.458 166 W N 1.093 122.466 121.300 0.122 0.000 2.342 166 W HA -0.198 4.476 4.660 0.023 0.000 0.297 166 W C 1.282 177.735 176.519 -0.109 0.000 1.213 166 W CA 1.439 58.653 57.345 -0.218 0.000 1.251 166 W CB 0.118 29.587 29.460 0.015 0.000 1.136 166 W HN 0.096 nan 8.180 nan 0.000 0.526 167 E N 0.474 120.620 120.200 -0.089 0.000 2.077 167 E HA -0.203 4.161 4.350 0.023 0.000 0.193 167 E C 2.075 178.542 176.600 -0.223 0.000 0.989 167 E CA 1.426 57.709 56.400 -0.194 0.000 0.800 167 E CB -0.505 29.170 29.700 -0.041 0.000 0.746 167 E HN 0.490 nan 8.360 nan 0.000 0.452 168 R N 0.310 120.736 120.500 -0.123 0.000 2.075 168 R HA -0.056 4.298 4.340 0.023 0.000 0.232 168 R C 2.518 178.711 176.300 -0.180 0.000 1.126 168 R CA 1.096 57.134 56.100 -0.103 0.000 0.963 168 R CB -0.448 29.841 30.300 -0.018 0.000 0.858 168 R HN 0.021 nan 8.270 nan 0.000 0.435 169 V N 1.744 121.505 119.914 -0.255 0.000 2.343 169 V HA -0.245 3.889 4.120 0.023 0.000 0.247 169 V C 2.177 177.993 176.094 -0.463 0.000 1.051 169 V CA 1.717 63.821 62.300 -0.326 0.000 1.036 169 V CB -0.408 31.193 31.823 -0.370 0.000 0.654 169 V HN 0.299 nan 8.190 nan 0.000 0.451 170 K N 0.210 120.182 120.400 -0.714 0.000 2.097 170 K HA -0.128 4.206 4.320 0.023 0.000 0.206 170 K C 2.320 178.729 176.600 -0.319 0.000 1.049 170 K CA 1.433 57.357 56.287 -0.605 0.000 0.933 170 K CB -0.406 31.669 32.500 -0.707 0.000 0.717 170 K HN 0.478 nan 8.250 nan 0.000 0.442 171 A N 1.528 124.191 122.820 -0.261 0.000 1.902 171 A HA -0.129 4.205 4.320 0.023 0.000 0.217 171 A C 2.355 179.854 177.584 -0.142 0.000 1.181 171 A CA 1.910 53.850 52.037 -0.163 0.000 0.623 171 A CB -0.606 18.318 19.000 -0.127 0.000 0.818 171 A HN 0.340 nan 8.150 nan 0.000 0.443 172 A N -0.418 122.307 122.820 -0.158 0.000 1.968 172 A HA 0.281 4.614 4.320 0.023 0.000 0.217 172 A C 2.401 179.894 177.584 -0.152 0.000 1.169 172 A CA 1.671 53.627 52.037 -0.136 0.000 0.638 172 A CB -0.795 18.126 19.000 -0.131 0.000 0.812 172 A HN 1.019 nan 8.150 nan 0.000 0.446 173 A N -0.311 122.393 122.820 -0.193 0.000 2.067 173 A HA -0.080 4.254 4.320 0.023 0.000 0.219 173 A C 2.127 179.641 177.584 -0.116 0.000 1.158 173 A CA 1.121 53.046 52.037 -0.188 0.000 0.661 173 A CB -0.425 18.455 19.000 -0.199 0.000 0.801 173 A HN 0.520 nan 8.150 nan 0.000 0.452 174 R N -0.800 119.636 120.500 -0.106 0.000 2.152 174 R HA -0.118 4.236 4.340 0.023 0.000 0.232 174 R C 1.830 178.095 176.300 -0.057 0.000 1.117 174 R CA 1.029 57.087 56.100 -0.071 0.000 0.981 174 R CB -0.313 29.945 30.300 -0.071 0.000 0.870 174 R HN 0.501 nan 8.270 nan 0.000 0.451 175 G N -0.085 108.675 108.800 -0.066 0.000 3.233 175 G HA2 0.176 4.150 3.960 0.023 0.000 0.227 175 G HA3 0.176 4.150 3.960 0.023 0.000 0.227 175 G C 0.152 175.021 174.900 -0.051 0.000 1.175 175 G CA -0.237 44.831 45.100 -0.053 0.000 0.781 175 G HN 0.003 nan 8.290 nan 0.000 0.542 176 L N 0.509 121.696 121.223 -0.059 0.000 2.346 176 L HA 0.393 4.747 4.340 0.023 0.000 0.276 176 L C -1.177 175.672 176.870 -0.035 0.000 1.006 176 L CA -1.109 53.698 54.840 -0.055 0.000 0.817 176 L CB 2.344 44.351 42.059 -0.087 0.000 1.272 176 L HN -0.071 nan 8.230 nan 0.000 0.421 177 D N 4.588 124.975 120.400 -0.022 0.000 2.313 177 D HA 0.207 4.861 4.640 0.023 0.000 0.239 177 D C -1.500 174.800 176.300 0.000 0.000 1.142 177 D CA -2.027 51.969 54.000 -0.008 0.000 0.847 177 D CB 1.527 42.324 40.800 -0.006 0.000 1.082 177 D HN 0.195 nan 8.370 nan 0.000 0.480 178 P HA -0.152 nan 4.420 nan 0.000 0.226 178 P C 0.344 177.655 177.300 0.017 0.000 1.146 178 P CA 0.864 63.982 63.100 0.029 0.000 0.773 178 P CB 0.558 32.286 31.700 0.048 0.000 0.772 179 D N 0.124 120.530 120.400 0.009 0.000 2.454 179 D HA -0.057 4.596 4.640 0.023 0.000 0.247 179 D C 1.881 178.180 176.300 -0.001 0.000 1.143 179 D CA 0.885 54.886 54.000 0.002 0.000 0.972 179 D CB -0.131 40.671 40.800 0.004 0.000 1.070 179 D HN -0.265 nan 8.370 nan 0.000 0.433 180 K N 0.368 120.768 120.400 -0.000 0.000 2.283 180 K HA -0.019 4.315 4.320 0.023 0.000 0.202 180 K C 0.258 176.859 176.600 0.001 0.000 1.048 180 K CA 0.791 57.078 56.287 -0.001 0.000 0.948 180 K CB -0.045 32.454 32.500 -0.002 0.000 0.742 180 K HN 0.384 nan 8.250 nan 0.000 0.458 181 D N 0.049 120.449 120.400 0.000 0.000 2.559 181 D HA 0.177 4.830 4.640 0.023 0.000 0.234 181 D C 1.127 177.435 176.300 0.014 0.000 1.226 181 D CA -0.000 53.999 54.000 -0.001 0.000 0.830 181 D CB 0.611 41.400 40.800 -0.018 0.000 1.028 181 D HN -0.050 nan 8.370 nan 0.000 0.492 182 A N 1.140 123.978 122.820 0.031 0.000 1.892 182 A HA -0.262 4.072 4.320 0.023 0.000 0.218 182 A C 2.053 179.732 177.584 0.157 0.000 1.188 182 A CA 1.413 53.493 52.037 0.071 0.000 0.631 182 A CB -0.258 18.755 19.000 0.020 0.000 0.822 182 A HN 0.213 nan 8.150 nan 0.000 0.447 183 E N -0.398 119.891 120.200 0.147 0.000 2.051 183 E HA -0.199 4.165 4.350 0.023 0.000 0.192 183 E C 2.132 178.767 176.600 0.059 0.000 0.991 183 E CA 1.460 57.950 56.400 0.151 0.000 0.799 183 E CB -0.175 29.586 29.700 0.101 0.000 0.748 183 E HN 0.616 nan 8.360 nan 0.000 0.449 184 K N 0.421 120.832 120.400 0.018 0.000 2.097 184 K HA -0.140 4.193 4.320 0.023 0.000 0.205 184 K C 2.188 178.743 176.600 -0.075 0.000 1.050 184 K CA 0.661 56.931 56.287 -0.028 0.000 0.938 184 K CB -0.120 32.357 32.500 -0.038 0.000 0.718 184 K HN 0.027 nan 8.250 nan 0.000 0.442 185 L N 2.220 123.396 121.223 -0.078 0.000 2.056 185 L HA -0.160 4.194 4.340 0.023 0.000 0.207 185 L C 1.953 178.705 176.870 -0.198 0.000 1.078 185 L CA 1.651 56.369 54.840 -0.204 0.000 0.749 185 L CB -0.700 41.287 42.059 -0.119 0.000 0.901 185 L HN 0.241 nan 8.230 nan 0.000 0.433 186 N N -0.340 118.378 118.700 0.029 0.000 2.120 186 N HA -0.284 4.470 4.740 0.023 0.000 0.188 186 N C 1.909 177.452 175.510 0.055 0.000 1.024 186 N CA 1.609 54.733 53.050 0.123 0.000 0.852 186 N CB -0.073 38.495 38.487 0.135 0.000 1.003 186 N HN 0.629 nan 8.380 nan 0.000 0.424 187 E N 0.392 120.590 120.200 -0.005 0.000 2.085 187 E HA -0.206 4.158 4.350 0.023 0.000 0.194 187 E C 2.254 178.854 176.600 -0.000 0.000 0.994 187 E CA 0.794 57.191 56.400 -0.004 0.000 0.801 187 E CB -0.128 29.559 29.700 -0.022 0.000 0.743 187 E HN 0.285 nan 8.360 nan 0.000 0.453 188 L N 0.379 121.549 121.223 -0.088 0.000 2.012 188 L HA -0.216 4.138 4.340 0.023 0.000 0.210 188 L C 2.073 178.953 176.870 0.016 0.000 1.073 188 L CA 1.839 56.607 54.840 -0.120 0.000 0.748 188 L CB -0.688 41.179 42.059 -0.320 0.000 0.891 188 L HN 0.288 nan 8.230 nan 0.000 0.431 189 Y N -0.815 119.536 120.300 0.085 0.000 2.242 189 Y HA -0.169 4.395 4.550 0.023 0.000 0.291 189 Y C 2.682 178.693 175.900 0.185 0.000 1.137 189 Y CA 0.762 58.936 58.100 0.124 0.000 1.181 189 Y CB -0.175 38.386 38.460 0.168 0.000 0.989 189 Y HN 0.136 nan 8.280 nan 0.000 0.527 190 R N 0.236 120.942 120.500 0.344 0.000 2.081 190 R HA -0.158 4.196 4.340 0.023 0.000 0.235 190 R C 1.795 178.237 176.300 0.237 0.000 1.131 190 R CA 1.453 57.737 56.100 0.308 0.000 0.960 190 R CB -0.364 30.037 30.300 0.168 0.000 0.856 190 R HN 0.357 nan 8.270 nan 0.000 0.436 191 N N 0.634 119.434 118.700 0.167 0.000 2.223 191 N HA -0.178 4.575 4.740 0.023 0.000 0.185 191 N C 1.457 177.062 175.510 0.158 0.000 1.016 191 N CA 1.044 54.169 53.050 0.124 0.000 0.863 191 N CB -0.331 38.205 38.487 0.082 0.000 0.983 191 N HN 0.201 nan 8.380 nan 0.000 0.429 192 F N 0.650 120.617 119.950 0.027 0.000 2.069 192 F HA -0.190 4.351 4.527 0.023 0.000 0.298 192 F C 1.849 177.688 175.800 0.065 0.000 1.113 192 F CA 1.437 59.443 58.000 0.010 0.000 1.214 192 F CB -0.366 38.565 39.000 -0.114 0.000 0.978 192 F HN -0.098 nan 8.300 nan 0.000 0.474 193 F N 0.563 120.474 119.950 -0.064 0.000 2.186 193 F HA -0.161 4.380 4.527 0.023 0.000 0.299 193 F C 2.187 177.967 175.800 -0.034 0.000 1.090 193 F CA 0.932 58.814 58.000 -0.196 0.000 1.307 193 F CB -0.676 38.233 39.000 -0.151 0.000 1.019 193 F HN -0.046 nan 8.300 nan 0.000 0.489 194 L N 0.330 121.652 121.223 0.165 0.000 2.127 194 L HA -0.249 4.105 4.340 0.023 0.000 0.211 194 L C 2.457 179.331 176.870 0.007 0.000 1.089 194 L CA 1.333 56.227 54.840 0.090 0.000 0.757 194 L CB -0.588 41.511 42.059 0.065 0.000 0.899 194 L HN 0.133 nan 8.230 nan 0.000 0.434 195 K N 0.213 120.569 120.400 -0.072 0.000 2.280 195 K HA -0.155 4.178 4.320 0.023 0.000 0.202 195 K C 0.882 177.176 176.600 -0.509 0.000 1.047 195 K CA 1.353 57.448 56.287 -0.321 0.000 0.942 195 K CB 0.093 32.309 32.500 -0.472 0.000 0.739 195 K HN 0.234 nan 8.250 nan 0.000 0.457 196 F N -1.291 118.635 119.950 -0.041 0.000 2.698 196 F HA 0.343 4.884 4.527 0.023 0.000 0.304 196 F C 0.714 176.553 175.800 0.066 0.000 1.108 196 F CA -0.320 57.677 58.000 -0.005 0.000 1.263 196 F CB 1.386 40.351 39.000 -0.058 0.000 1.013 196 F HN -0.020 nan 8.300 nan 0.000 0.532 197 A N -0.492 122.449 122.820 0.203 0.000 2.653 197 A HA 0.248 4.582 4.320 0.023 0.000 0.248 197 A C 0.763 178.482 177.584 0.226 0.000 1.211 197 A CA 0.132 52.308 52.037 0.232 0.000 0.991 197 A CB -0.486 18.633 19.000 0.199 0.000 1.252 197 A HN 0.133 nan 8.150 nan 0.000 0.593 198 T N -2.485 112.136 114.554 0.111 0.000 2.918 198 T HA 0.444 4.808 4.350 0.023 0.000 0.283 198 T C -1.407 173.251 174.700 -0.069 0.000 1.001 198 T CA -1.384 60.705 62.100 -0.019 0.000 1.041 198 T CB 1.501 70.322 68.868 -0.079 0.000 1.028 198 T HN -0.039 nan 8.240 nan 0.000 0.511 199 P HA -0.208 nan 4.420 nan 0.000 0.215 199 P C 1.513 178.739 177.300 -0.123 0.000 1.157 199 P CA 1.283 64.107 63.100 -0.461 0.000 0.868 199 P CB 0.166 31.210 31.700 -1.094 0.000 0.788 200 Q N -0.160 119.554 119.800 -0.142 0.000 2.084 200 Q HA -0.135 4.219 4.340 0.023 0.000 0.202 200 Q C 2.250 178.244 176.000 -0.009 0.000 0.978 200 Q CA 1.840 57.605 55.803 -0.063 0.000 0.844 200 Q CB -0.568 28.124 28.738 -0.076 0.000 0.898 200 Q HN 0.101 nan 8.270 nan 0.000 0.426 201 A N 0.740 123.554 122.820 -0.010 0.000 1.877 201 A HA -0.175 4.159 4.320 0.023 0.000 0.216 201 A C 2.042 179.677 177.584 0.086 0.000 1.186 201 A CA 1.327 53.369 52.037 0.008 0.000 0.620 201 A CB -0.758 18.227 19.000 -0.025 0.000 0.822 201 A HN 0.449 nan 8.150 nan 0.000 0.443 202 L N -0.349 120.969 121.223 0.158 0.000 2.093 202 L HA -0.178 4.176 4.340 0.023 0.000 0.208 202 L C 2.151 179.155 176.870 0.223 0.000 1.085 202 L CA 1.111 56.105 54.840 0.257 0.000 0.755 202 L CB -0.655 41.637 42.059 0.389 0.000 0.904 202 L HN 0.351 nan 8.230 nan 0.000 0.435 203 N N 0.509 119.312 118.700 0.170 0.000 2.289 203 N HA -0.133 4.621 4.740 0.023 0.000 0.184 203 N C 1.609 177.184 175.510 0.108 0.000 1.016 203 N CA 1.054 54.187 53.050 0.138 0.000 0.872 203 N CB -0.155 38.391 38.487 0.098 0.000 0.973 203 N HN 0.333 nan 8.380 nan 0.000 0.433 204 R N -0.183 120.370 120.500 0.089 0.000 2.320 204 R HA 0.151 4.504 4.340 0.023 0.000 0.211 204 R C 0.606 176.958 176.300 0.086 0.000 0.931 204 R CA 0.345 56.486 56.100 0.068 0.000 1.071 204 R CB 0.191 30.512 30.300 0.036 0.000 1.025 204 R HN 0.152 nan 8.270 nan 0.000 0.495 205 G N 0.468 109.345 108.800 0.128 0.000 2.149 205 G HA2 -0.316 3.658 3.960 0.023 0.000 0.235 205 G HA3 -0.316 3.658 3.960 0.023 0.000 0.235 205 G C 0.786 175.765 174.900 0.133 0.000 1.018 205 G CA 0.158 45.347 45.100 0.148 0.000 0.728 205 G HN 0.406 nan 8.290 nan 0.000 0.508 206 A N -1.223 121.680 122.820 0.137 0.000 2.019 206 A HA 0.446 4.780 4.320 0.023 0.000 0.219 206 A C 1.521 179.226 177.584 0.203 0.000 1.164 206 A CA 1.737 53.861 52.037 0.145 0.000 0.644 206 A CB -0.077 18.982 19.000 0.099 0.000 0.805 206 A HN 0.514 nan 8.150 nan 0.000 0.449 207 M N -1.043 118.638 119.600 0.134 0.000 2.761 207 M HA 0.503 4.997 4.480 0.023 0.000 0.305 207 M C -0.474 175.650 176.300 -0.295 0.000 1.235 207 M CA -0.803 54.455 55.300 -0.071 0.000 0.850 207 M CB 1.765 34.322 32.600 -0.071 0.000 1.744 207 M HN 0.208 nan 8.290 nan 0.000 0.480 208 V N -0.941 118.676 119.914 -0.495 0.000 3.046 208 V HA 0.728 4.862 4.120 0.023 0.000 0.316 208 V C -1.689 174.031 176.094 -0.624 0.000 1.104 208 V CA -0.741 61.331 62.300 -0.381 0.000 1.006 208 V CB 1.942 33.696 31.823 -0.115 0.000 1.058 208 V HN 0.767 nan 8.190 nan 0.000 0.440 209 Y N 0.518 120.955 120.300 0.229 0.000 2.524 209 Y HA 0.670 5.233 4.550 0.023 0.000 0.344 209 Y C 1.095 177.106 175.900 0.185 0.000 1.012 209 Y CA -0.200 57.886 58.100 -0.024 0.000 1.068 209 Y CB 2.549 40.863 38.460 -0.243 0.000 1.249 209 Y HN 0.766 nan 8.280 nan 0.000 0.468 210 S N -1.243 114.531 115.700 0.122 0.000 2.603 210 S HA 0.364 4.848 4.470 0.023 0.000 0.232 210 S C 0.654 175.342 174.600 0.146 0.000 1.016 210 S CA 0.069 58.328 58.200 0.099 0.000 0.976 210 S CB -0.018 63.174 63.200 -0.014 0.000 0.921 210 S HN 0.846 nan 8.310 nan 0.000 0.516 211 G N 2.409 111.228 108.800 0.031 0.000 2.543 211 G HA2 0.483 4.457 3.960 0.023 0.000 0.290 211 G HA3 0.483 4.457 3.960 0.023 0.000 0.290 211 G C -1.596 173.099 174.900 -0.341 0.000 1.310 211 G CA -1.520 43.535 45.100 -0.074 0.000 1.025 211 G HN 0.136 nan 8.290 nan 0.000 0.502 212 P HA 0.020 nan 4.420 nan 0.000 0.228 212 P C -0.382 176.463 177.300 -0.759 0.000 1.151 212 P CA 0.956 63.502 63.100 -0.923 0.000 0.770 212 P CB 0.096 31.363 31.700 -0.721 0.000 0.786 213 F N 0.285 120.167 119.950 -0.113 0.000 2.620 213 F HA 0.457 4.998 4.527 0.023 0.000 0.320 213 F C 0.563 176.290 175.800 -0.122 0.000 1.069 213 F CA -1.030 56.937 58.000 -0.054 0.000 0.953 213 F CB 1.986 40.986 39.000 0.002 0.000 1.322 213 F HN -0.372 nan 8.300 nan 0.000 0.479 214 K N 1.109 121.515 120.400 0.010 0.000 2.426 214 K HA 0.681 5.014 4.320 0.023 0.000 0.251 214 K C -1.624 174.731 176.600 -0.408 0.000 0.941 214 K CA -0.926 55.190 56.287 -0.285 0.000 0.808 214 K CB 2.797 35.288 32.500 -0.014 0.000 1.265 214 K HN 0.705 nan 8.250 nan 0.000 0.432 215 L N 2.881 123.547 121.223 -0.928 0.000 2.367 215 L HA 0.144 4.498 4.340 0.023 0.000 0.275 215 L C 1.012 177.807 176.870 -0.126 0.000 1.129 215 L CA 0.113 54.685 54.840 -0.448 0.000 0.839 215 L CB 0.804 42.611 42.059 -0.421 0.000 1.133 215 L HN 0.906 nan 8.230 nan 0.000 0.453 216 K N 4.739 125.123 120.400 -0.027 0.000 2.273 216 K HA 0.186 4.520 4.320 0.023 0.000 0.206 216 K C 0.212 176.864 176.600 0.086 0.000 1.072 216 K CA 0.073 56.386 56.287 0.044 0.000 0.953 216 K CB 0.530 33.055 32.500 0.041 0.000 1.043 216 K HN 0.712 nan 8.250 nan 0.000 0.477 217 R N -0.327 120.232 120.500 0.098 0.000 2.594 217 R HA 0.099 4.453 4.340 0.023 0.000 0.265 217 R C -2.317 174.128 176.300 0.240 0.000 1.070 217 R CA -0.699 55.495 56.100 0.156 0.000 0.909 217 R CB 1.180 31.551 30.300 0.118 0.000 1.243 217 R HN 0.097 nan 8.270 nan 0.000 0.455 218 W N 5.918 127.258 121.300 0.066 0.000 2.393 218 W HA 0.413 5.087 4.660 0.023 0.000 0.315 218 W C -1.605 174.964 176.519 0.084 0.000 1.009 218 W CA -0.936 56.464 57.345 0.091 0.000 1.313 218 W CB 1.262 30.780 29.460 0.096 0.000 1.269 218 W HN 0.230 nan 8.180 nan 0.000 0.420 219 V N 9.965 130.151 119.914 0.453 0.000 2.353 219 V HA 0.189 4.323 4.120 0.023 0.000 0.264 219 V C -1.416 174.829 176.094 0.252 0.000 1.049 219 V CA -1.691 60.748 62.300 0.231 0.000 0.896 219 V CB 0.608 32.538 31.823 0.179 0.000 1.025 219 V HN 0.341 nan 8.190 nan 0.000 0.475 220 P HA -0.033 nan 4.420 nan 0.000 0.259 220 P C 1.037 178.394 177.300 0.096 0.000 1.163 220 P CA 1.487 64.541 63.100 -0.076 0.000 0.760 220 P CB 0.512 32.089 31.700 -0.206 0.000 0.762 221 G N 3.437 112.339 108.800 0.171 0.000 2.189 221 G HA2 -0.287 3.687 3.960 0.023 0.000 0.267 221 G HA3 -0.287 3.687 3.960 0.023 0.000 0.267 221 G C 0.887 175.960 174.900 0.289 0.000 0.975 221 G CA 0.383 45.584 45.100 0.168 0.000 0.644 221 G HN 0.575 nan 8.290 nan 0.000 0.537 222 N N -0.653 118.281 118.700 0.390 0.000 2.677 222 N HA 0.233 4.986 4.740 0.023 0.000 0.242 222 N C 0.777 176.467 175.510 0.300 0.000 1.044 222 N CA 1.307 54.544 53.050 0.312 0.000 0.934 222 N CB 0.750 39.342 38.487 0.176 0.000 1.595 222 N HN 0.987 nan 8.380 nan 0.000 0.459 223 S N -0.355 115.557 115.700 0.353 0.000 2.587 223 S HA 0.614 5.098 4.470 0.023 0.000 0.269 223 S C -1.439 173.292 174.600 0.218 0.000 1.154 223 S CA -0.815 57.437 58.200 0.087 0.000 0.824 223 S CB 1.646 64.843 63.200 -0.005 0.000 1.118 223 S HN 0.044 nan 8.310 nan 0.000 0.462 224 I N 1.112 121.676 120.570 -0.011 0.000 2.468 224 I HA 0.375 4.559 4.170 0.023 0.000 0.285 224 I C -0.859 175.221 176.117 -0.061 0.000 1.039 224 I CA -0.345 60.934 61.300 -0.035 0.000 1.074 224 I CB 1.982 39.851 38.000 -0.219 0.000 1.228 224 I HN 0.706 nan 8.210 nan 0.000 0.436 225 E N 7.544 127.734 120.200 -0.017 0.000 2.156 225 E HA 0.612 4.976 4.350 0.023 0.000 0.279 225 E C -0.996 175.576 176.600 -0.047 0.000 0.965 225 E CA -0.575 55.804 56.400 -0.035 0.000 0.789 225 E CB 2.067 31.770 29.700 0.004 0.000 1.098 225 E HN 0.435 nan 8.360 nan 0.000 0.397 226 M N 2.150 121.707 119.600 -0.073 0.000 2.395 226 M HA 0.335 4.829 4.480 0.023 0.000 0.307 226 M C -0.577 175.777 176.300 0.089 0.000 1.091 226 M CA -0.580 54.696 55.300 -0.041 0.000 0.919 226 M CB 2.247 34.785 32.600 -0.104 0.000 1.662 226 M HN 0.333 nan 8.290 nan 0.000 0.440 227 E N 1.485 121.775 120.200 0.151 0.000 2.222 227 E HA 0.435 4.799 4.350 0.023 0.000 0.272 227 E C -0.744 176.032 176.600 0.294 0.000 0.982 227 E CA -0.943 55.586 56.400 0.216 0.000 0.842 227 E CB 2.100 31.867 29.700 0.113 0.000 1.144 227 E HN 0.462 nan 8.360 nan 0.000 0.397 228 R N 1.807 122.436 120.500 0.216 0.000 2.585 228 R HA -0.023 4.331 4.340 0.023 0.000 0.275 228 R C -0.265 175.956 176.300 -0.133 0.000 1.018 228 R CA -0.000 55.971 56.100 -0.214 0.000 1.072 228 R CB 0.292 30.496 30.300 -0.160 0.000 0.953 228 R HN 0.345 nan 8.270 nan 0.000 0.419 229 N N 5.641 124.206 118.700 -0.225 0.000 2.462 229 N HA 0.138 4.891 4.740 0.023 0.000 0.242 229 N C -1.869 173.640 175.510 -0.002 0.000 1.010 229 N CA -2.237 50.783 53.050 -0.049 0.000 0.939 229 N CB 1.344 39.821 38.487 -0.016 0.000 1.127 229 N HN 0.392 nan 8.380 nan 0.000 0.509 230 P HA -0.070 nan 4.420 nan 0.000 0.225 230 P C 0.218 177.548 177.300 0.050 0.000 1.148 230 P CA 0.810 63.932 63.100 0.037 0.000 0.779 230 P CB 0.520 32.244 31.700 0.040 0.000 0.780 231 N N -0.739 118.004 118.700 0.072 0.000 2.467 231 N HA -0.023 4.731 4.740 0.023 0.000 0.184 231 N C 0.274 175.814 175.510 0.050 0.000 1.106 231 N CA 0.034 53.120 53.050 0.059 0.000 0.892 231 N CB -0.375 38.164 38.487 0.088 0.000 0.969 231 N HN 0.171 nan 8.380 nan 0.000 0.454 232 F N 4.239 124.140 119.950 -0.082 0.000 2.543 232 F HA 0.140 4.680 4.527 0.023 0.000 0.375 232 F C -1.172 174.538 175.800 -0.150 0.000 1.075 232 F CA -2.187 55.736 58.000 -0.128 0.000 1.225 232 F CB 0.984 39.899 39.000 -0.142 0.000 1.099 232 F HN -0.022 nan 8.300 nan 0.000 0.561 233 P HA -0.100 nan 4.420 nan 0.000 0.221 233 P C 0.341 177.295 177.300 -0.576 0.000 1.150 233 P CA 1.191 63.958 63.100 -0.555 0.000 0.800 233 P CB 0.194 31.600 31.700 -0.491 0.000 0.787 234 I N 1.433 121.435 120.570 -0.947 0.000 2.363 234 I HA 0.114 4.298 4.170 0.023 0.000 0.292 234 I C 0.565 176.525 176.117 -0.261 0.000 1.075 234 I CA -0.304 60.624 61.300 -0.620 0.000 1.333 234 I CB 0.327 37.748 38.000 -0.966 0.000 1.415 234 I HN -0.257 nan 8.210 nan 0.000 0.502 235 K N 8.349 128.665 120.400 -0.139 0.000 2.213 235 K HA 0.456 4.789 4.320 0.023 0.000 0.270 235 K C -2.188 174.410 176.600 -0.002 0.000 1.002 235 K CA -1.858 54.410 56.287 -0.033 0.000 0.868 235 K CB 1.040 33.525 32.500 -0.025 0.000 1.093 235 K HN 0.341 nan 8.250 nan 0.000 0.454 236 P HA 0.049 nan 4.420 nan 0.000 0.272 236 P C -0.286 177.010 177.300 -0.006 0.000 1.230 236 P CA -0.356 62.656 63.100 -0.146 0.000 0.788 236 P CB 0.754 31.943 31.700 -0.851 0.000 0.949 237 E N 0.304 120.550 120.200 0.077 0.000 2.480 237 E HA 0.189 4.553 4.350 0.023 0.000 0.258 237 E C 0.998 177.751 176.600 0.254 0.000 0.984 237 E CA 0.827 57.316 56.400 0.147 0.000 0.930 237 E CB -0.669 29.109 29.700 0.130 0.000 0.936 237 E HN 0.783 nan 8.360 nan 0.000 0.466 238 G N 2.666 111.573 108.800 0.177 0.000 2.213 238 G HA2 -0.161 3.813 3.960 0.023 0.000 0.236 238 G HA3 -0.161 3.813 3.960 0.023 0.000 0.236 238 G C 0.502 175.512 174.900 0.182 0.000 0.991 238 G CA -0.185 45.017 45.100 0.171 0.000 0.629 238 G HN 1.526 nan 8.290 nan 0.000 0.517 239 G N -0.802 108.125 108.800 0.212 0.000 2.697 239 G HA2 0.214 4.188 3.960 0.023 0.000 0.686 239 G HA3 0.214 4.188 3.960 0.023 0.000 0.686 239 G C 0.239 175.308 174.900 0.281 0.000 1.179 239 G CA 0.544 45.753 45.100 0.181 0.000 0.765 239 G HN 0.658 nan 8.290 nan 0.000 0.649 240 E N 0.329 120.650 120.200 0.201 0.000 2.160 240 E HA -0.204 4.160 4.350 0.023 0.000 0.195 240 E C 2.806 179.570 176.600 0.273 0.000 0.991 240 E CA 1.702 58.242 56.400 0.233 0.000 0.810 240 E CB -0.122 29.653 29.700 0.124 0.000 0.742 240 E HN 0.824 nan 8.360 nan 0.000 0.466 241 S N 1.202 117.014 115.700 0.185 0.000 2.440 241 S HA -0.161 4.323 4.470 0.023 0.000 0.238 241 S C 1.630 176.303 174.600 0.122 0.000 1.010 241 S CA 1.005 59.288 58.200 0.138 0.000 0.972 241 S CB -0.176 63.080 63.200 0.093 0.000 0.774 241 S HN 0.167 nan 8.310 nan 0.000 0.501 242 K N -0.133 120.337 120.400 0.116 0.000 2.487 242 K HA 0.197 4.531 4.320 0.023 0.000 0.192 242 K C -0.493 175.913 176.600 -0.323 0.000 1.027 242 K CA 0.214 56.439 56.287 -0.102 0.000 1.054 242 K CB 0.045 32.419 32.500 -0.210 0.000 0.824 242 K HN 0.491 nan 8.250 nan 0.000 0.510 243 Y N 0.022 120.385 120.300 0.105 0.000 2.602 243 Y HA 0.194 4.758 4.550 0.023 0.000 0.330 243 Y C 0.400 176.389 175.900 0.148 0.000 1.114 243 Y CA -1.812 56.350 58.100 0.104 0.000 1.182 243 Y CB 0.806 39.324 38.460 0.096 0.000 1.305 243 Y HN -0.273 nan 8.280 nan 0.000 0.502 244 V N 0.270 120.363 119.914 0.300 0.000 2.694 244 V HA -0.006 4.128 4.120 0.023 0.000 0.306 244 V C 0.281 176.602 176.094 0.378 0.000 1.054 244 V CA -0.290 62.186 62.300 0.293 0.000 1.161 244 V CB 0.748 32.688 31.823 0.196 0.000 0.916 244 V HN 0.840 nan 8.190 nan 0.000 0.490 245 Q N 2.531 122.513 119.800 0.305 0.000 2.352 245 Q HA 0.302 4.656 4.340 0.023 0.000 0.212 245 Q C 0.438 176.637 176.000 0.332 0.000 0.888 245 Q CA 0.568 56.542 55.803 0.286 0.000 0.934 245 Q CB 0.722 29.568 28.738 0.180 0.000 1.093 245 Q HN 0.922 nan 8.270 nan 0.000 0.523 246 K N -0.001 120.557 120.400 0.264 0.000 2.543 246 K HA 0.445 4.779 4.320 0.023 0.000 0.255 246 K C -1.670 174.886 176.600 -0.073 0.000 0.934 246 K CA -0.361 56.006 56.287 0.133 0.000 0.810 246 K CB 2.267 34.816 32.500 0.080 0.000 1.315 246 K HN -0.227 nan 8.250 nan 0.000 0.433 247 V N 3.644 123.393 119.914 -0.274 0.000 2.487 247 V HA 0.491 4.625 4.120 0.023 0.000 0.298 247 V C -0.883 175.033 176.094 -0.297 0.000 1.028 247 V CA -0.819 61.218 62.300 -0.437 0.000 0.860 247 V CB 1.760 33.066 31.823 -0.862 0.000 0.991 247 V HN 0.518 nan 8.190 nan 0.000 0.427 248 V N 5.138 124.890 119.914 -0.270 0.000 2.443 248 V HA 0.439 4.573 4.120 0.023 0.000 0.293 248 V C -1.107 174.811 176.094 -0.293 0.000 1.021 248 V CA -0.803 61.373 62.300 -0.207 0.000 0.848 248 V CB 1.626 33.359 31.823 -0.150 0.000 0.998 248 V HN 0.721 nan 8.190 nan 0.000 0.424 249 Y N 4.104 124.154 120.300 -0.417 0.000 2.313 249 Y HA 0.560 5.123 4.550 0.023 0.000 0.332 249 Y C 0.804 176.262 175.900 -0.738 0.000 1.071 249 Y CA -0.220 57.543 58.100 -0.561 0.000 1.169 249 Y CB 1.209 39.293 38.460 -0.627 0.000 1.192 249 Y HN 0.458 nan 8.280 nan 0.000 0.487 250 R N 3.767 123.930 120.500 -0.561 0.000 2.437 250 R HA 0.436 4.789 4.340 0.023 0.000 0.310 250 R C -1.756 174.264 176.300 -0.467 0.000 0.955 250 R CA -0.804 55.019 56.100 -0.462 0.000 0.851 250 R CB 1.159 31.321 30.300 -0.230 0.000 1.161 250 R HN 0.424 nan 8.270 nan 0.000 0.446 251 F N 3.988 123.975 119.950 0.062 0.000 2.404 251 F HA 0.470 5.011 4.527 0.023 0.000 0.354 251 F C 0.355 176.179 175.800 0.040 0.000 1.122 251 F CA -0.735 57.304 58.000 0.065 0.000 1.080 251 F CB 0.975 40.029 39.000 0.089 0.000 1.131 251 F HN 0.230 nan 8.300 nan 0.000 0.471 252 I N 4.129 124.814 120.570 0.192 0.000 2.517 252 I HA 0.170 4.354 4.170 0.023 0.000 0.280 252 I C 0.629 176.804 176.117 0.097 0.000 1.061 252 I CA -0.335 61.028 61.300 0.105 0.000 1.091 252 I CB 1.728 39.755 38.000 0.045 0.000 1.205 252 I HN 0.637 nan 8.210 nan 0.000 0.459 253 Q N 2.427 122.278 119.800 0.086 0.000 2.297 253 Q HA -0.031 4.323 4.340 0.023 0.000 0.204 253 Q C 0.797 176.814 176.000 0.028 0.000 0.962 253 Q CA 0.705 56.542 55.803 0.056 0.000 0.879 253 Q CB 0.040 28.796 28.738 0.030 0.000 0.947 253 Q HN 0.566 nan 8.270 nan 0.000 0.462 254 N N 1.791 120.502 118.700 0.018 0.000 2.411 254 N HA -0.020 4.733 4.740 0.023 0.000 0.259 254 N C 0.859 176.373 175.510 0.006 0.000 1.103 254 N CA 0.305 53.357 53.050 0.003 0.000 0.954 254 N CB 1.323 39.806 38.487 -0.006 0.000 1.085 254 N HN 0.087 nan 8.380 nan 0.000 0.485 255 T N 0.853 115.411 114.554 0.007 0.000 2.881 255 T HA -0.171 4.193 4.350 0.023 0.000 0.270 255 T C 1.548 176.241 174.700 -0.011 0.000 1.068 255 T CA 1.005 63.109 62.100 0.006 0.000 1.131 255 T CB -0.129 68.749 68.868 0.017 0.000 0.871 255 T HN 0.604 nan 8.240 nan 0.000 0.479 256 N N 0.954 119.643 118.700 -0.019 0.000 2.142 256 N HA -0.102 4.652 4.740 0.023 0.000 0.186 256 N C 1.905 177.398 175.510 -0.029 0.000 1.023 256 N CA 1.409 54.441 53.050 -0.029 0.000 0.852 256 N CB -0.229 38.237 38.487 -0.034 0.000 0.998 256 N HN 0.424 nan 8.380 nan 0.000 0.424 257 S N 1.116 116.803 115.700 -0.021 0.000 2.382 257 S HA -0.100 4.384 4.470 0.023 0.000 0.228 257 S C 1.851 176.436 174.600 -0.024 0.000 1.027 257 S CA 0.502 58.691 58.200 -0.020 0.000 0.991 257 S CB -0.263 62.931 63.200 -0.010 0.000 0.823 257 S HN 0.297 nan 8.310 nan 0.000 0.469 258 L N 1.651 122.862 121.223 -0.020 0.000 2.056 258 L HA 0.046 4.400 4.340 0.023 0.000 0.207 258 L C 2.012 178.847 176.870 -0.058 0.000 1.078 258 L CA 1.350 56.172 54.840 -0.030 0.000 0.749 258 L CB -0.803 41.249 42.059 -0.013 0.000 0.901 258 L HN 0.265 nan 8.230 nan 0.000 0.433 259 L N -1.094 120.096 121.223 -0.056 0.000 2.012 259 L HA -0.174 4.180 4.340 0.023 0.000 0.210 259 L C 2.400 179.220 176.870 -0.083 0.000 1.073 259 L CA 1.961 56.755 54.840 -0.077 0.000 0.748 259 L CB -0.793 41.229 42.059 -0.061 0.000 0.891 259 L HN 0.120 nan 8.230 nan 0.000 0.431 260 V N 0.134 120.011 119.914 -0.061 0.000 2.332 260 V HA -0.324 3.810 4.120 0.023 0.000 0.248 260 V C 2.810 178.867 176.094 -0.063 0.000 1.055 260 V CA 1.741 64.008 62.300 -0.056 0.000 1.038 260 V CB -1.448 30.351 31.823 -0.040 0.000 0.651 260 V HN 0.639 nan 8.190 nan 0.000 0.450 261 A N -0.358 122.425 122.820 -0.062 0.000 1.902 261 A HA -0.157 4.176 4.320 0.023 0.000 0.217 261 A C 2.394 179.918 177.584 -0.100 0.000 1.181 261 A CA 2.050 54.048 52.037 -0.065 0.000 0.623 261 A CB -0.678 18.288 19.000 -0.056 0.000 0.818 261 A HN 0.338 nan 8.150 nan 0.000 0.443 262 V N 0.245 120.072 119.914 -0.144 0.000 2.343 262 V HA -0.268 3.866 4.120 0.023 0.000 0.247 262 V C 2.405 178.312 176.094 -0.312 0.000 1.051 262 V CA 2.029 64.175 62.300 -0.256 0.000 1.036 262 V CB -0.661 30.995 31.823 -0.279 0.000 0.654 262 V HN 0.579 nan 8.190 nan 0.000 0.451 263 I N 0.764 121.215 120.570 -0.199 0.000 2.286 263 I HA -0.163 4.021 4.170 0.023 0.000 0.248 263 I C 2.556 178.643 176.117 -0.050 0.000 1.115 263 I CA 1.571 62.789 61.300 -0.137 0.000 1.392 263 I CB -0.878 37.072 38.000 -0.083 0.000 1.065 263 I HN 0.418 nan 8.210 nan 0.000 0.418 264 G N 0.033 108.808 108.800 -0.043 0.000 2.462 264 G HA2 -0.056 3.918 3.960 0.023 0.000 0.220 264 G HA3 -0.056 3.918 3.960 0.023 0.000 0.220 264 G C 1.443 176.372 174.900 0.049 0.000 1.121 264 G CA 0.938 46.037 45.100 -0.001 0.000 0.758 264 G HN 0.605 nan 8.290 nan 0.000 0.559 265 G N -0.901 107.952 108.800 0.088 0.000 2.179 265 G HA2 -0.253 3.720 3.960 0.023 0.000 0.220 265 G HA3 -0.253 3.720 3.960 0.023 0.000 0.220 265 G C 1.388 176.387 174.900 0.164 0.000 0.990 265 G CA 1.015 46.258 45.100 0.237 0.000 0.646 265 G HN 1.415 nan 8.290 nan 0.000 0.517 266 S N -0.549 115.189 115.700 0.063 0.000 2.603 266 S HA 0.490 4.973 4.470 0.023 0.000 0.220 266 S C 0.833 175.444 174.600 0.019 0.000 0.967 266 S CA 0.217 58.432 58.200 0.024 0.000 0.920 266 S CB 0.122 63.317 63.200 -0.009 0.000 0.773 266 S HN 0.524 nan 8.310 nan 0.000 0.529 267 I N 2.248 122.838 120.570 0.034 0.000 2.354 267 I HA 0.304 4.488 4.170 0.023 0.000 0.292 267 I C 0.216 176.400 176.117 0.110 0.000 0.989 267 I CA -0.654 60.642 61.300 -0.008 0.000 1.188 267 I CB 1.713 39.655 38.000 -0.096 0.000 1.342 267 I HN 0.011 nan 8.210 nan 0.000 0.457 268 D N 4.988 125.437 120.400 0.083 0.000 2.194 268 D HA 0.096 4.750 4.640 0.023 0.000 0.204 268 D C 0.540 176.882 176.300 0.071 0.000 0.964 268 D CA 0.851 54.965 54.000 0.191 0.000 0.846 268 D CB 0.558 41.490 40.800 0.220 0.000 0.962 268 D HN 0.590 nan 8.370 nan 0.000 0.490 269 A N -0.005 122.725 122.820 -0.149 0.000 2.610 269 A HA 0.529 4.862 4.320 0.023 0.000 0.291 269 A C -0.559 176.909 177.584 -0.194 0.000 1.086 269 A CA -0.664 51.212 52.037 -0.269 0.000 0.677 269 A CB 1.374 19.844 19.000 -0.883 0.000 1.278 269 A HN 0.011 nan 8.150 nan 0.000 0.414 270 T N -1.110 113.432 114.554 -0.020 0.000 2.925 270 T HA 0.707 5.071 4.350 0.023 0.000 0.285 270 T C 0.487 175.343 174.700 0.261 0.000 1.021 270 T CA 0.043 62.170 62.100 0.046 0.000 1.042 270 T CB 1.482 70.359 68.868 0.014 0.000 1.037 270 T HN 1.445 nan 8.240 nan 0.000 0.481 271 S N 0.487 116.297 115.700 0.184 0.000 2.624 271 S HA 0.263 4.746 4.470 0.023 0.000 0.263 271 S C 1.709 176.498 174.600 0.314 0.000 1.287 271 S CA -0.083 58.306 58.200 0.316 0.000 0.990 271 S CB 0.408 63.789 63.200 0.303 0.000 0.950 271 S HN 1.042 nan 8.310 nan 0.000 0.561 272 S N 0.825 116.766 115.700 0.401 0.000 2.515 272 S HA 0.042 4.526 4.470 0.023 0.000 0.231 272 S C 0.362 175.051 174.600 0.150 0.000 0.987 272 S CA 0.233 58.606 58.200 0.289 0.000 0.936 272 S CB -0.325 63.152 63.200 0.462 0.000 0.766 272 S HN 0.509 nan 8.310 nan 0.000 0.528 273 V N 2.602 122.627 119.914 0.185 0.000 2.235 273 V HA 0.529 4.663 4.120 0.023 0.000 0.266 273 V C 0.351 176.525 176.094 0.133 0.000 1.055 273 V CA 0.197 62.588 62.300 0.152 0.000 0.844 273 V CB 0.051 31.982 31.823 0.179 0.000 1.097 273 V HN 0.626 nan 8.190 nan 0.000 0.453 274 S N 3.579 119.321 115.700 0.070 0.000 3.962 274 S HA 0.519 5.003 4.470 0.023 0.000 0.175 274 S C 0.050 174.660 174.600 0.017 0.000 1.091 274 S CA -0.524 57.703 58.200 0.045 0.000 1.174 274 S CB 0.430 63.638 63.200 0.014 0.000 1.845 274 S HN 0.257 nan 8.310 nan 0.000 0.835 275 L N 3.048 124.254 121.223 -0.028 0.000 2.399 275 L HA 0.548 4.901 4.340 0.023 0.000 0.266 275 L C 0.594 177.468 176.870 0.006 0.000 1.114 275 L CA -0.555 54.270 54.840 -0.024 0.000 0.804 275 L CB 1.174 43.191 42.059 -0.070 0.000 1.146 275 L HN 0.743 nan 8.230 nan 0.000 0.451 276 T N -2.591 111.999 114.554 0.060 0.000 2.881 276 T HA 0.201 4.564 4.350 0.023 0.000 0.278 276 T C 0.859 175.675 174.700 0.193 0.000 0.982 276 T CA -0.509 61.677 62.100 0.143 0.000 0.989 276 T CB 0.950 69.939 68.868 0.202 0.000 1.058 276 T HN 0.449 nan 8.240 nan 0.000 0.529 277 F N 2.051 122.057 119.950 0.094 0.000 2.087 277 F HA -0.232 4.308 4.527 0.022 0.000 0.299 277 F C 2.361 178.325 175.800 0.273 0.000 1.100 277 F CA 2.659 60.755 58.000 0.160 0.000 1.226 277 F CB -0.327 38.596 39.000 -0.129 0.000 0.983 277 F HN 0.826 nan 8.300 nan 0.000 0.479 278 D N -0.329 120.389 120.400 0.529 0.000 2.149 278 D HA -0.254 4.400 4.640 0.023 0.000 0.198 278 D C 1.820 178.194 176.300 0.123 0.000 0.990 278 D CA 1.623 55.830 54.000 0.346 0.000 0.839 278 D CB -1.020 39.946 40.800 0.276 0.000 0.948 278 D HN 0.497 nan 8.370 nan 0.000 0.460 279 Q N 0.407 120.263 119.800 0.093 0.000 2.119 279 Q HA -0.000 4.354 4.340 0.023 0.000 0.201 279 Q C 2.491 178.483 176.000 -0.013 0.000 0.972 279 Q CA 1.285 57.098 55.803 0.016 0.000 0.847 279 Q CB -0.333 28.405 28.738 0.000 0.000 0.903 279 Q HN 0.484 nan 8.270 nan 0.000 0.433 280 G N 1.886 110.675 108.800 -0.018 0.000 2.470 280 G HA2 -0.242 3.732 3.960 0.023 0.000 0.220 280 G HA3 -0.242 3.732 3.960 0.023 0.000 0.220 280 G C 1.262 176.214 174.900 0.087 0.000 1.121 280 G CA 0.513 45.569 45.100 -0.072 0.000 0.766 280 G HN 0.326 nan 8.290 nan 0.000 0.553 281 R N 0.485 121.037 120.500 0.086 0.000 2.546 281 R HA 0.240 4.594 4.340 0.023 0.000 0.320 281 R C 0.417 176.722 176.300 0.008 0.000 1.021 281 R CA 0.129 56.258 56.100 0.049 0.000 1.088 281 R CB -0.101 30.161 30.300 -0.062 0.000 1.278 281 R HN 0.228 nan 8.270 nan 0.000 0.557 282 S N 1.361 117.060 115.700 -0.000 0.000 2.576 282 S HA 0.198 4.682 4.470 0.023 0.000 0.276 282 S C -1.314 173.274 174.600 -0.019 0.000 1.339 282 S CA -1.162 57.029 58.200 -0.015 0.000 1.039 282 S CB 1.399 64.584 63.200 -0.026 0.000 0.902 282 S HN 0.001 nan 8.310 nan 0.000 0.516 283 P HA -0.225 nan 4.420 nan 0.000 0.216 283 P C 1.553 178.840 177.300 -0.022 0.000 1.150 283 P CA 1.310 64.398 63.100 -0.019 0.000 0.837 283 P CB -0.078 31.611 31.700 -0.018 0.000 0.786 284 Q N -0.423 119.360 119.800 -0.027 0.000 2.226 284 Q HA -0.140 4.214 4.340 0.023 0.000 0.204 284 Q C 2.092 178.072 176.000 -0.034 0.000 0.975 284 Q CA 1.174 56.959 55.803 -0.030 0.000 0.866 284 Q CB -1.196 27.522 28.738 -0.034 0.000 0.915 284 Q HN 0.267 nan 8.270 nan 0.000 0.440 285 L N 0.428 121.627 121.223 -0.041 0.000 2.189 285 L HA 0.029 4.382 4.340 0.023 0.000 0.199 285 L C 2.295 179.144 176.870 -0.035 0.000 1.074 285 L CA 0.820 55.627 54.840 -0.055 0.000 0.783 285 L CB -0.440 41.573 42.059 -0.077 0.000 0.955 285 L HN -0.053 nan 8.230 nan 0.000 0.460 286 V N 0.551 120.450 119.914 -0.025 0.000 2.332 286 V HA -0.294 3.840 4.120 0.023 0.000 0.248 286 V C 2.645 178.734 176.094 -0.008 0.000 1.055 286 V CA 2.176 64.467 62.300 -0.014 0.000 1.038 286 V CB -0.825 30.993 31.823 -0.009 0.000 0.651 286 V HN 0.445 nan 8.190 nan 0.000 0.450 287 R N -0.494 120.001 120.500 -0.008 0.000 2.280 287 R HA 0.030 4.384 4.340 0.023 0.000 0.207 287 R C 1.898 178.201 176.300 0.005 0.000 1.043 287 R CA 0.449 56.546 56.100 -0.004 0.000 1.006 287 R CB -0.049 30.246 30.300 -0.007 0.000 0.885 287 R HN 0.360 nan 8.270 nan 0.000 0.467 288 R N -0.612 119.895 120.500 0.011 0.000 2.397 288 R HA 0.239 4.592 4.340 0.023 0.000 0.241 288 R C 1.285 177.634 176.300 0.081 0.000 0.914 288 R CA 0.288 56.408 56.100 0.034 0.000 1.071 288 R CB 0.810 31.124 30.300 0.024 0.000 1.116 288 R HN 0.114 nan 8.270 nan 0.000 0.524 289 A N 1.990 124.850 122.820 0.067 0.000 1.930 289 A HA 0.101 4.435 4.320 0.023 0.000 0.215 289 A C -1.373 176.253 177.584 0.071 0.000 1.176 289 A CA 0.301 52.406 52.037 0.113 0.000 0.632 289 A CB -1.018 18.014 19.000 0.053 0.000 0.819 289 A HN 0.071 nan 8.150 nan 0.000 0.445 290 P HA 0.142 nan 4.420 nan 0.000 0.257 290 P C 0.899 178.194 177.300 -0.009 0.000 1.162 290 P CA 2.027 65.128 63.100 0.002 0.000 0.762 290 P CB -0.010 31.689 31.700 -0.002 0.000 0.753 291 G N 3.370 112.154 108.800 -0.026 0.000 2.175 291 G HA2 -0.345 3.628 3.960 0.023 0.000 0.265 291 G HA3 -0.345 3.628 3.960 0.023 0.000 0.265 291 G C 0.993 175.835 174.900 -0.097 0.000 0.979 291 G CA 0.552 45.622 45.100 -0.049 0.000 0.663 291 G HN 0.557 nan 8.290 nan 0.000 0.533 292 R N -2.044 118.389 120.500 -0.111 0.000 2.437 292 R HA 0.481 4.835 4.340 0.023 0.000 0.184 292 R C 0.075 175.993 176.300 -0.636 0.000 0.850 292 R CA 0.489 56.404 56.100 -0.310 0.000 1.073 292 R CB 0.616 30.849 30.300 -0.112 0.000 1.336 292 R HN 0.308 nan 8.270 nan 0.000 0.640 293 F N 0.456 120.395 119.950 -0.018 0.000 2.613 293 F HA 0.359 4.900 4.527 0.023 0.000 0.310 293 F C -0.794 174.968 175.800 -0.065 0.000 1.085 293 F CA -1.234 56.755 58.000 -0.018 0.000 0.945 293 F CB 1.790 40.773 39.000 -0.028 0.000 1.298 293 F HN -0.273 nan 8.300 nan 0.000 0.455 294 D N 1.804 122.280 120.400 0.127 0.000 2.181 294 D HA 0.591 5.245 4.640 0.023 0.000 0.248 294 D C -0.618 175.541 176.300 -0.236 0.000 1.020 294 D CA -0.022 53.886 54.000 -0.153 0.000 0.891 294 D CB 2.103 42.807 40.800 -0.160 0.000 1.187 294 D HN 0.290 nan 8.370 nan 0.000 0.443 295 I N 1.491 121.781 120.570 -0.467 0.000 2.436 295 I HA 0.388 4.571 4.170 0.023 0.000 0.289 295 I C -0.909 174.914 176.117 -0.490 0.000 1.010 295 I CA -0.765 60.322 61.300 -0.354 0.000 1.098 295 I CB 1.315 39.186 38.000 -0.216 0.000 1.266 295 I HN 0.149 nan 8.210 nan 0.000 0.434 296 W N 5.397 126.649 121.300 -0.079 0.000 2.781 296 W HA 0.612 5.284 4.660 0.021 0.000 0.345 296 W C -1.100 175.299 176.519 -0.200 0.000 1.085 296 W CA -0.543 56.816 57.345 0.023 0.000 1.198 296 W CB 1.435 30.985 29.460 0.149 0.000 1.423 296 W HN 0.109 nan 8.180 nan 0.000 0.532 297 F N 1.876 122.063 119.950 0.394 0.000 2.460 297 F HA 0.543 5.086 4.527 0.026 0.000 0.341 297 F C -0.319 175.669 175.800 0.313 0.000 1.130 297 F CA -1.140 57.026 58.000 0.277 0.000 0.962 297 F CB 1.205 40.312 39.000 0.179 0.000 1.171 297 F HN -0.162 nan 8.300 nan 0.000 0.436 298 V N 5.660 125.833 119.914 0.433 0.000 2.384 298 V HA 0.429 4.563 4.120 0.023 0.000 0.287 298 V C -2.012 174.224 176.094 0.238 0.000 1.020 298 V CA -1.949 60.549 62.300 0.331 0.000 0.850 298 V CB 1.552 33.584 31.823 0.349 0.000 0.987 298 V HN 0.473 nan 8.190 nan 0.000 0.436 299 P HA 0.474 nan 4.420 nan 0.000 0.272 299 P C -0.040 177.245 177.300 -0.025 0.000 1.230 299 P CA 0.294 63.434 63.100 0.068 0.000 0.788 299 P CB 1.722 33.442 31.700 0.032 0.000 0.949 300 G N -0.748 108.001 108.800 -0.085 0.000 2.554 300 G HA2 0.510 4.483 3.960 0.023 0.000 0.306 300 G HA3 0.510 4.483 3.960 0.023 0.000 0.306 300 G C -1.717 173.069 174.900 -0.190 0.000 1.320 300 G CA -0.257 44.717 45.100 -0.211 0.000 0.800 300 G HN 0.430 nan 8.290 nan 0.000 0.481 301 A N 0.469 123.168 122.820 -0.201 0.000 3.000 301 A HA 0.699 5.033 4.320 0.023 0.000 0.315 301 A C -0.315 177.348 177.584 0.132 0.000 1.434 301 A CA -0.296 51.718 52.037 -0.039 0.000 1.108 301 A CB -0.839 18.179 19.000 0.030 0.000 1.171 301 A HN 0.495 nan 8.150 nan 0.000 0.524 302 I N 1.060 121.744 120.570 0.190 0.000 2.420 302 I HA 0.248 4.432 4.170 0.023 0.000 0.282 302 I C -0.944 175.409 176.117 0.393 0.000 1.019 302 I CA -0.349 61.104 61.300 0.255 0.000 1.130 302 I CB 1.363 39.460 38.000 0.161 0.000 1.262 302 I HN 0.702 nan 8.210 nan 0.000 0.454 303 W N 7.701 129.132 121.300 0.218 0.000 2.282 303 W HA 0.456 5.128 4.660 0.021 0.000 0.322 303 W C 0.104 176.666 176.519 0.072 0.000 1.011 303 W CA -0.850 56.607 57.345 0.186 0.000 1.392 303 W CB 0.857 30.493 29.460 0.293 0.000 1.215 303 W HN 0.381 nan 8.180 nan 0.000 0.394 304 E N 5.595 125.527 120.200 -0.447 0.000 2.290 304 E HA 0.173 4.537 4.350 0.023 0.000 0.277 304 E C 0.034 176.046 176.600 -0.980 0.000 1.035 304 E CA 0.539 56.496 56.400 -0.738 0.000 0.873 304 E CB 0.294 29.303 29.700 -1.151 0.000 1.029 304 E HN 0.519 nan 8.360 nan 0.000 0.419 305 H N 2.506 120.933 119.070 -1.071 0.000 2.918 305 H HA 0.463 5.032 4.556 0.022 0.000 0.303 305 H C -1.031 173.906 175.328 -0.652 0.000 1.380 305 H CA -1.064 54.360 56.048 -1.040 0.000 1.134 305 H CB 0.320 28.978 29.762 -1.839 0.000 1.842 305 H HN 0.368 nan 8.280 nan 0.000 0.533 306 I N 1.977 122.265 120.570 -0.469 0.000 2.439 306 I HA 0.151 4.335 4.170 0.023 0.000 0.283 306 I C -0.511 175.570 176.117 -0.060 0.000 1.023 306 I CA -0.600 60.509 61.300 -0.318 0.000 1.100 306 I CB 1.632 39.502 38.000 -0.217 0.000 1.238 306 I HN 0.363 nan 8.210 nan 0.000 0.445 307 D N 6.719 127.125 120.400 0.010 0.000 2.339 307 D HA 0.493 5.147 4.640 0.023 0.000 0.245 307 D C -0.256 176.275 176.300 0.385 0.000 1.115 307 D CA 0.224 54.409 54.000 0.309 0.000 0.917 307 D CB 2.152 43.207 40.800 0.425 0.000 1.192 307 D HN 0.308 nan 8.370 nan 0.000 0.428 308 I N 1.890 122.721 120.570 0.435 0.000 2.466 308 I HA 0.084 4.268 4.170 0.023 0.000 0.289 308 I C 0.133 176.461 176.117 0.352 0.000 1.026 308 I CA -0.901 60.616 61.300 0.362 0.000 1.078 308 I CB 1.792 39.871 38.000 0.132 0.000 1.249 308 I HN 0.111 nan 8.210 nan 0.000 0.429 309 N N 6.210 125.073 118.700 0.272 0.000 2.431 309 N HA 0.081 4.835 4.740 0.023 0.000 0.265 309 N C -0.049 175.467 175.510 0.010 0.000 1.184 309 N CA 0.451 53.481 53.050 -0.032 0.000 0.943 309 N CB 0.723 39.067 38.487 -0.239 0.000 1.080 309 N HN 0.561 nan 8.380 nan 0.000 0.477 310 K N 3.196 123.555 120.400 -0.068 0.000 2.455 310 K HA 0.162 4.496 4.320 0.023 0.000 0.206 310 K C -0.510 175.981 176.600 -0.181 0.000 1.027 310 K CA -0.244 55.982 56.287 -0.102 0.000 1.113 310 K CB 0.314 32.764 32.500 -0.084 0.000 0.850 310 K HN 0.383 nan 8.250 nan 0.000 0.503 311 F N 2.294 122.221 119.950 -0.038 0.000 2.434 311 F HA 0.062 4.603 4.527 0.023 0.000 0.358 311 F C 1.509 177.285 175.800 -0.040 0.000 1.136 311 F CA -0.223 57.753 58.000 -0.040 0.000 1.157 311 F CB 0.681 39.636 39.000 -0.075 0.000 1.167 311 F HN 0.012 nan 8.300 nan 0.000 0.539 312 E N 2.328 122.592 120.200 0.106 0.000 2.209 312 E HA -0.234 4.130 4.350 0.023 0.000 0.196 312 E C 1.789 178.424 176.600 0.059 0.000 0.993 312 E CA 1.127 57.562 56.400 0.059 0.000 0.819 312 E CB -0.234 29.485 29.700 0.030 0.000 0.745 312 E HN 0.693 nan 8.360 nan 0.000 0.477 313 N N 0.568 119.319 118.700 0.085 0.000 2.443 313 N HA -0.118 4.636 4.740 0.023 0.000 0.184 313 N C 0.409 175.930 175.510 0.017 0.000 1.037 313 N CA 0.378 53.454 53.050 0.043 0.000 0.896 313 N CB -0.450 38.059 38.487 0.037 0.000 0.959 313 N HN -0.012 nan 8.380 nan 0.000 0.442 314 c N 1.807 120.422 118.600 0.025 0.000 2.373 314 c HA 0.169 4.753 4.570 0.023 0.000 0.354 314 c C 1.987 176.077 174.090 -0.001 0.000 1.249 314 c CA -0.707 55.619 56.329 -0.006 0.000 1.784 314 c CB 0.207 42.704 42.510 -0.022 0.000 2.408 314 c HN 0.476 nan 8.230 nan 0.000 0.542 315 Q N 2.028 121.824 119.800 -0.007 0.000 2.112 315 Q HA -0.160 4.193 4.340 0.023 0.000 0.206 315 Q C 1.886 177.883 176.000 -0.006 0.000 0.987 315 Q CA 1.882 57.681 55.803 -0.005 0.000 0.858 315 Q CB 0.122 28.856 28.738 -0.007 0.000 0.905 315 Q HN 0.801 nan 8.270 nan 0.000 0.420 316 V N -0.291 119.618 119.914 -0.008 0.000 2.332 316 V HA -0.262 3.872 4.120 0.023 0.000 0.248 316 V C 2.256 178.340 176.094 -0.017 0.000 1.055 316 V CA 1.571 63.864 62.300 -0.011 0.000 1.038 316 V CB -0.471 31.348 31.823 -0.006 0.000 0.651 316 V HN 0.268 nan 8.190 nan 0.000 0.450 317 V N -0.038 119.872 119.914 -0.006 0.000 2.343 317 V HA -0.302 3.831 4.120 0.023 0.000 0.247 317 V C 2.426 178.522 176.094 0.003 0.000 1.051 317 V CA 2.451 64.751 62.300 0.001 0.000 1.036 317 V CB -0.667 31.167 31.823 0.020 0.000 0.654 317 V HN 0.575 nan 8.190 nan 0.000 0.451 318 K N -0.163 120.240 120.400 0.005 0.000 2.057 318 K HA -0.214 4.120 4.320 0.023 0.000 0.206 318 K C 1.873 178.474 176.600 0.002 0.000 1.050 318 K CA 1.822 58.112 56.287 0.005 0.000 0.935 318 K CB -0.238 32.262 32.500 0.000 0.000 0.715 318 K HN 0.427 nan 8.250 nan 0.000 0.439 319 D N 0.982 121.380 120.400 -0.004 0.000 2.104 319 D HA -0.170 4.484 4.640 0.023 0.000 0.194 319 D C 1.846 178.175 176.300 0.049 0.000 0.994 319 D CA 1.196 55.197 54.000 0.003 0.000 0.830 319 D CB -0.077 40.725 40.800 0.004 0.000 0.959 319 D HN 0.278 nan 8.370 nan 0.000 0.452 320 L N -0.589 120.623 121.223 -0.017 0.000 2.492 320 L HA 0.155 4.509 4.340 0.023 0.000 0.223 320 L C 1.326 178.233 176.870 0.063 0.000 1.132 320 L CA 0.372 55.130 54.840 -0.136 0.000 0.850 320 L CB -0.236 41.560 42.059 -0.437 0.000 0.966 320 L HN 0.091 nan 8.230 nan 0.000 0.454 321 G N 0.655 109.508 108.800 0.088 0.000 2.246 321 G HA2 -0.278 3.695 3.960 0.023 0.000 0.273 321 G HA3 -0.278 3.695 3.960 0.023 0.000 0.273 321 G C 0.744 175.704 174.900 0.099 0.000 1.055 321 G CA 0.230 45.401 45.100 0.119 0.000 0.851 321 G HN 0.341 nan 8.290 nan 0.000 0.500 322 L N -0.826 120.429 121.223 0.053 0.000 2.362 322 L HA -0.010 4.343 4.340 0.023 0.000 0.219 322 L C 2.411 179.302 176.870 0.035 0.000 1.134 322 L CA 1.002 55.871 54.840 0.049 0.000 0.807 322 L CB -0.322 41.760 42.059 0.038 0.000 0.927 322 L HN 0.284 nan 8.230 nan 0.000 0.447 323 N N -0.412 118.307 118.700 0.033 0.000 2.463 323 N HA -0.080 4.673 4.740 0.023 0.000 0.181 323 N C 0.329 175.861 175.510 0.037 0.000 1.078 323 N CA 0.441 53.506 53.050 0.025 0.000 0.902 323 N CB 0.096 38.590 38.487 0.012 0.000 0.970 323 N HN 0.237 nan 8.380 nan 0.000 0.451 324 D N 0.928 121.358 120.400 0.050 0.000 2.295 324 D HA 0.011 4.665 4.640 0.023 0.000 0.248 324 D C 1.123 177.448 176.300 0.041 0.000 1.154 324 D CA -0.192 53.841 54.000 0.056 0.000 0.857 324 D CB 1.204 42.053 40.800 0.082 0.000 1.117 324 D HN 0.220 nan 8.370 nan 0.000 0.468 325 K N 3.647 124.064 120.400 0.029 0.000 2.211 325 K HA -0.160 4.174 4.320 0.023 0.000 0.204 325 K C 1.462 178.058 176.600 -0.006 0.000 1.047 325 K CA 0.847 57.128 56.287 -0.010 0.000 0.935 325 K CB 0.127 32.630 32.500 0.004 0.000 0.728 325 K HN 0.271 nan 8.250 nan 0.000 0.452 326 R N 0.633 121.158 120.500 0.043 0.000 2.120 326 R HA -0.052 4.301 4.340 0.023 0.000 0.234 326 R C 2.143 178.479 176.300 0.059 0.000 1.123 326 R CA 1.896 58.035 56.100 0.064 0.000 0.975 326 R CB -0.450 29.905 30.300 0.093 0.000 0.866 326 R HN 0.336 nan 8.270 nan 0.000 0.446 327 T N 0.587 115.188 114.554 0.077 0.000 2.777 327 T HA -0.087 4.277 4.350 0.023 0.000 0.266 327 T C 1.737 176.440 174.700 0.006 0.000 1.040 327 T CA 1.109 63.267 62.100 0.096 0.000 1.141 327 T CB -0.074 68.895 68.868 0.167 0.000 0.868 327 T HN 0.305 nan 8.240 nan 0.000 0.444 328 R N 1.024 121.493 120.500 -0.051 0.000 2.092 328 R HA -0.003 4.351 4.340 0.023 0.000 0.231 328 R C 2.687 178.838 176.300 -0.248 0.000 1.119 328 R CA 1.059 57.069 56.100 -0.149 0.000 0.970 328 R CB -0.249 29.934 30.300 -0.196 0.000 0.864 328 R HN 0.519 nan 8.270 nan 0.000 0.440 329 Q N 0.419 120.078 119.800 -0.234 0.000 2.119 329 Q HA -0.067 4.287 4.340 0.023 0.000 0.201 329 Q C 2.249 178.172 176.000 -0.127 0.000 0.972 329 Q CA 1.440 57.049 55.803 -0.323 0.000 0.847 329 Q CB -0.127 28.564 28.738 -0.077 0.000 0.903 329 Q HN 0.349 nan 8.270 nan 0.000 0.433 330 A N 1.066 123.876 122.820 -0.017 0.000 1.877 330 A HA -0.184 4.150 4.320 0.023 0.000 0.216 330 A C 2.057 179.608 177.584 -0.056 0.000 1.186 330 A CA 1.202 53.251 52.037 0.019 0.000 0.620 330 A CB -0.660 18.325 19.000 -0.025 0.000 0.822 330 A HN 0.299 nan 8.150 nan 0.000 0.443 331 I N -0.970 119.523 120.570 -0.127 0.000 2.226 331 I HA -0.233 3.951 4.170 0.023 0.000 0.245 331 I C 2.417 178.432 176.117 -0.171 0.000 1.100 331 I CA 1.148 62.349 61.300 -0.164 0.000 1.374 331 I CB -0.283 37.616 38.000 -0.168 0.000 1.057 331 I HN 0.345 nan 8.210 nan 0.000 0.413 332 L N 0.305 121.393 121.223 -0.225 0.000 2.083 332 L HA -0.245 4.109 4.340 0.023 0.000 0.209 332 L C 2.573 179.387 176.870 -0.093 0.000 1.083 332 L CA 1.998 56.691 54.840 -0.244 0.000 0.752 332 L CB -0.983 40.831 42.059 -0.410 0.000 0.899 332 L HN 0.271 nan 8.230 nan 0.000 0.433 333 H N -0.903 118.160 119.070 -0.012 0.000 2.489 333 H HA 0.085 4.654 4.556 0.022 0.000 0.293 333 H C 1.866 177.233 175.328 0.065 0.000 1.066 333 H CA 1.051 57.134 56.048 0.058 0.000 1.305 333 H CB -0.004 29.770 29.762 0.020 0.000 1.386 333 H HN 0.468 nan 8.280 nan 0.000 0.551 334 A N 0.505 123.410 122.820 0.142 0.000 2.275 334 A HA 0.183 4.517 4.320 0.023 0.000 0.212 334 A C 0.871 178.613 177.584 0.263 0.000 1.201 334 A CA -0.170 51.972 52.037 0.175 0.000 0.843 334 A CB 0.037 19.047 19.000 0.017 0.000 0.873 334 A HN 0.124 nan 8.150 nan 0.000 0.492 335 L N 1.240 122.505 121.223 0.072 0.000 2.255 335 L HA 0.250 4.603 4.340 0.023 0.000 0.289 335 L C 0.002 176.876 176.870 0.007 0.000 1.046 335 L CA -0.656 54.022 54.840 -0.271 0.000 0.816 335 L CB 0.708 42.283 42.059 -0.807 0.000 1.197 335 L HN 0.140 nan 8.230 nan 0.000 0.427 336 N N 3.218 121.865 118.700 -0.090 0.000 3.050 336 N HA 0.074 4.827 4.740 0.023 0.000 0.289 336 N C 1.142 176.710 175.510 0.096 0.000 1.209 336 N CA 0.089 52.888 53.050 -0.418 0.000 1.154 336 N CB 0.211 38.035 38.487 -1.104 0.000 1.444 336 N HN 0.460 nan 8.380 nan 0.000 0.529 337 R N 0.308 120.887 120.500 0.131 0.000 2.081 337 R HA -0.137 4.217 4.340 0.023 0.000 0.235 337 R C 1.322 177.635 176.300 0.021 0.000 1.131 337 R CA 1.133 57.313 56.100 0.134 0.000 0.960 337 R CB 0.021 30.397 30.300 0.126 0.000 0.856 337 R HN 0.344 nan 8.270 nan 0.000 0.436 338 E N 0.415 120.644 120.200 0.050 0.000 2.077 338 E HA -0.105 4.258 4.350 0.023 0.000 0.193 338 E C 1.957 178.537 176.600 -0.033 0.000 0.989 338 E CA 1.680 58.100 56.400 0.032 0.000 0.800 338 E CB -0.517 29.238 29.700 0.093 0.000 0.746 338 E HN 0.340 nan 8.360 nan 0.000 0.452 339 G N 1.303 110.081 108.800 -0.036 0.000 2.422 339 G HA2 -0.207 3.767 3.960 0.023 0.000 0.218 339 G HA3 -0.207 3.767 3.960 0.023 0.000 0.218 339 G C 1.468 176.239 174.900 -0.215 0.000 1.146 339 G CA 0.769 45.849 45.100 -0.033 0.000 0.769 339 G HN 0.331 nan 8.290 nan 0.000 0.547 340 L N 1.792 122.734 121.223 -0.469 0.000 1.994 340 L HA -0.076 4.278 4.340 0.023 0.000 0.208 340 L C 3.131 179.460 176.870 -0.901 0.000 1.071 340 L CA 2.566 56.700 54.840 -1.175 0.000 0.745 340 L CB -1.028 40.302 42.059 -1.216 0.000 0.892 340 L HN 0.283 nan 8.230 nan 0.000 0.431 341 V N -1.767 117.851 119.914 -0.493 0.000 2.515 341 V HA -0.232 3.902 4.120 0.023 0.000 0.250 341 V C 2.635 178.619 176.094 -0.182 0.000 1.058 341 V CA 1.948 64.070 62.300 -0.297 0.000 1.064 341 V CB -0.986 30.780 31.823 -0.095 0.000 0.675 341 V HN 0.491 nan 8.190 nan 0.000 0.461 342 K N 1.095 121.405 120.400 -0.150 0.000 2.001 342 K HA -0.057 4.277 4.320 0.023 0.000 0.208 342 K C 2.263 178.824 176.600 -0.064 0.000 1.048 342 K CA 1.690 57.939 56.287 -0.064 0.000 0.932 342 K CB -0.527 31.955 32.500 -0.030 0.000 0.715 342 K HN 0.532 nan 8.250 nan 0.000 0.437 343 A N 0.432 123.192 122.820 -0.099 0.000 1.898 343 A HA -0.056 4.277 4.320 0.023 0.000 0.216 343 A C 2.002 179.608 177.584 0.037 0.000 1.181 343 A CA 1.152 53.187 52.037 -0.002 0.000 0.620 343 A CB -0.721 18.318 19.000 0.064 0.000 0.819 343 A HN 0.410 nan 8.150 nan 0.000 0.442 344 F N -2.235 117.382 119.950 -0.555 0.000 2.270 344 F HA 0.059 4.599 4.527 0.023 0.000 0.295 344 F C 1.202 176.591 175.800 -0.686 0.000 1.087 344 F CA 0.497 58.002 58.000 -0.824 0.000 1.365 344 F CB 0.088 38.163 39.000 -1.541 0.000 1.056 344 F HN 0.215 nan 8.300 nan 0.000 0.506 345 F N -1.205 118.790 119.950 0.074 0.000 2.772 345 F HA 0.210 4.749 4.527 0.021 0.000 0.316 345 F C -0.131 175.700 175.800 0.052 0.000 1.114 345 F CA -0.624 57.421 58.000 0.075 0.000 1.191 345 F CB 0.220 39.127 39.000 -0.154 0.000 1.065 345 F HN -0.190 nan 8.300 nan 0.000 0.534 346 D N 1.248 121.726 120.400 0.131 0.000 2.837 346 D HA -0.204 4.450 4.640 0.023 0.000 0.230 346 D C 1.612 177.955 176.300 0.071 0.000 1.152 346 D CA 1.458 55.509 54.000 0.085 0.000 0.736 346 D CB -1.281 39.575 40.800 0.093 0.000 1.084 346 D HN 0.702 nan 8.370 nan 0.000 0.429 347 G N -0.720 108.115 108.800 0.058 0.000 2.175 347 G HA2 -0.386 3.588 3.960 0.023 0.000 0.265 347 G HA3 -0.386 3.588 3.960 0.023 0.000 0.265 347 G C 1.183 176.078 174.900 -0.007 0.000 0.979 347 G CA 0.657 45.772 45.100 0.026 0.000 0.663 347 G HN 0.519 nan 8.290 nan 0.000 0.533 348 L N -0.762 120.447 121.223 -0.024 0.000 2.376 348 L HA 0.107 4.461 4.340 0.023 0.000 0.219 348 L C 1.605 178.258 176.870 -0.362 0.000 1.133 348 L CA 0.910 55.678 54.840 -0.120 0.000 0.816 348 L CB 0.011 42.096 42.059 0.043 0.000 0.933 348 L HN 0.361 nan 8.230 nan 0.000 0.449 349 Q N 1.495 121.007 119.800 -0.481 0.000 2.413 349 Q HA 0.290 4.644 4.340 0.023 0.000 0.258 349 Q C -2.259 173.642 176.000 -0.165 0.000 1.037 349 Q CA -2.006 53.506 55.803 -0.484 0.000 0.764 349 Q CB 1.866 30.018 28.738 -0.976 0.000 1.217 349 Q HN -0.018 nan 8.270 nan 0.000 0.490 350 P HA 0.027 nan 4.420 nan 0.000 0.275 350 P C -0.019 177.325 177.300 0.074 0.000 1.228 350 P CA -0.222 62.914 63.100 0.060 0.000 0.786 350 P CB 1.095 32.864 31.700 0.114 0.000 0.927 351 V N 2.154 122.088 119.914 0.034 0.000 2.694 351 V HA 0.172 4.306 4.120 0.023 0.000 0.306 351 V C 1.070 177.004 176.094 -0.266 0.000 1.054 351 V CA 0.510 62.772 62.300 -0.064 0.000 1.161 351 V CB -0.054 31.740 31.823 -0.048 0.000 0.916 351 V HN 0.772 nan 8.190 nan 0.000 0.490 352 A N 4.021 126.577 122.820 -0.440 0.000 2.312 352 A HA 0.675 5.009 4.320 0.023 0.000 0.326 352 A C 0.314 177.643 177.584 -0.426 0.000 1.172 352 A CA -0.477 51.194 52.037 -0.610 0.000 0.821 352 A CB 0.558 18.897 19.000 -1.101 0.000 1.166 352 A HN 0.962 nan 8.150 nan 0.000 0.493 353 H N 0.434 119.624 119.070 0.200 0.000 3.058 353 H HA 0.208 4.776 4.556 0.021 0.000 0.266 353 H C 0.175 175.670 175.328 0.277 0.000 1.135 353 H CA 0.934 57.137 56.048 0.258 0.000 1.174 353 H CB 0.923 30.803 29.762 0.197 0.000 1.581 353 H HN 0.651 nan 8.280 nan 0.000 0.553 354 T N -0.837 113.828 114.554 0.185 0.000 2.812 354 T HA 0.225 4.589 4.350 0.023 0.000 0.294 354 T C -0.488 173.835 174.700 -0.629 0.000 1.159 354 T CA -0.722 61.211 62.100 -0.279 0.000 1.008 354 T CB 0.915 69.602 68.868 -0.301 0.000 1.289 354 T HN 0.323 nan 8.240 nan 0.000 0.514 355 W N 1.887 122.365 121.300 -1.370 0.000 3.077 355 W HA 0.526 5.201 4.660 0.027 0.000 0.266 355 W C -0.197 175.790 176.519 -0.887 0.000 1.300 355 W CA -0.299 55.913 57.345 -1.890 0.000 1.586 355 W CB -0.149 28.204 29.460 -1.844 0.000 1.103 355 W HN 0.331 nan 8.180 nan 0.000 0.652 356 I N 2.726 122.634 120.570 -1.103 0.000 2.325 356 I HA 0.374 4.558 4.170 0.023 0.000 0.291 356 I C 0.795 176.692 176.117 -0.368 0.000 1.019 356 I CA -0.933 59.947 61.300 -0.701 0.000 1.302 356 I CB 0.678 38.193 38.000 -0.809 0.000 1.401 356 I HN 0.044 nan 8.210 nan 0.000 0.485 357 A N 8.396 130.955 122.820 -0.435 0.000 2.386 357 A HA 0.327 4.661 4.320 0.023 0.000 0.248 357 A C -1.648 175.403 177.584 -0.888 0.000 1.082 357 A CA -1.091 50.350 52.037 -0.994 0.000 0.789 357 A CB -0.094 18.562 19.000 -0.573 0.000 1.025 357 A HN 0.556 nan 8.150 nan 0.000 0.490 358 P HA -0.163 nan 4.420 nan 0.000 0.218 358 P C 1.476 178.495 177.300 -0.468 0.000 1.146 358 P CA 1.813 64.227 63.100 -1.144 0.000 0.813 358 P CB -0.283 30.736 31.700 -1.136 0.000 0.778 359 V N -3.685 116.015 119.914 -0.358 0.000 2.720 359 V HA -0.102 4.032 4.120 0.023 0.000 0.256 359 V C 1.028 177.118 176.094 -0.008 0.000 1.082 359 V CA 1.186 63.399 62.300 -0.145 0.000 1.101 359 V CB -1.302 30.428 31.823 -0.154 0.000 0.693 359 V HN 0.111 nan 8.190 nan 0.000 0.479 360 N N 1.936 120.611 118.700 -0.042 0.000 2.419 360 N HA 0.264 5.017 4.740 0.023 0.000 0.264 360 N C -1.520 173.988 175.510 -0.004 0.000 1.031 360 N CA -1.964 51.088 53.050 0.002 0.000 0.951 360 N CB 2.047 40.511 38.487 -0.038 0.000 1.101 360 N HN 0.146 nan 8.380 nan 0.000 0.488 361 P HA -0.111 nan 4.420 nan 0.000 0.226 361 P C 1.236 178.580 177.300 0.073 0.000 1.146 361 P CA 0.857 63.982 63.100 0.041 0.000 0.773 361 P CB 0.436 32.136 31.700 0.000 0.000 0.772 362 L N -1.815 119.400 121.223 -0.014 0.000 2.478 362 L HA 0.061 4.414 4.340 0.023 0.000 0.223 362 L C 1.486 178.436 176.870 0.133 0.000 1.140 362 L CA -0.251 54.578 54.840 -0.019 0.000 0.842 362 L CB -0.781 41.052 42.059 -0.376 0.000 0.953 362 L HN -0.076 nan 8.230 nan 0.000 0.452 363 F N 2.177 122.071 119.950 -0.093 0.000 2.604 363 F HA -0.091 4.446 4.527 0.017 0.000 0.393 363 F C 0.686 176.372 175.800 -0.190 0.000 1.043 363 F CA 0.035 57.912 58.000 -0.205 0.000 1.227 363 F CB 0.197 39.060 39.000 -0.228 0.000 1.016 363 F HN -0.014 nan 8.300 nan 0.000 0.556 364 N N 8.349 126.304 118.700 -1.241 0.000 2.501 364 N HA 0.311 5.065 4.740 0.023 0.000 0.245 364 N C -2.080 172.453 175.510 -1.629 0.000 0.974 364 N CA -2.530 49.472 53.050 -1.748 0.000 0.941 364 N CB 1.345 38.881 38.487 -1.584 0.000 1.122 364 N HN 0.353 nan 8.380 nan 0.000 0.507 365 P HA 0.073 nan 4.420 nan 0.000 0.249 365 P C -0.386 176.648 177.300 -0.444 0.000 1.229 365 P CA 0.605 63.237 63.100 -0.780 0.000 0.788 365 P CB 0.304 31.823 31.700 -0.301 0.000 1.072 366 N N -0.096 118.268 118.700 -0.559 0.000 2.230 366 N HA 0.072 4.826 4.740 0.023 0.000 0.202 366 N C 0.653 176.009 175.510 -0.257 0.000 1.119 366 N CA -0.373 52.475 53.050 -0.337 0.000 0.851 366 N CB 0.374 38.684 38.487 -0.295 0.000 0.990 366 N HN 0.047 nan 8.380 nan 0.000 0.497 367 V N -0.863 118.893 119.914 -0.265 0.000 3.185 367 V HA 0.117 4.250 4.120 0.023 0.000 0.305 367 V C 0.699 176.733 176.094 -0.100 0.000 1.090 367 V CA -1.069 61.155 62.300 -0.127 0.000 1.107 367 V CB 0.798 32.597 31.823 -0.040 0.000 1.061 367 V HN 0.097 nan 8.190 nan 0.000 0.480 368 K N 1.884 122.249 120.400 -0.059 0.000 2.484 368 K HA 0.126 4.460 4.320 0.023 0.000 0.280 368 K C -0.208 176.278 176.600 -0.190 0.000 1.013 368 K CA 0.275 56.471 56.287 -0.151 0.000 1.029 368 K CB 0.202 32.605 32.500 -0.161 0.000 0.902 368 K HN 0.833 nan 8.250 nan 0.000 0.481 369 K N 3.613 123.823 120.400 -0.318 0.000 2.207 369 K HA 0.224 4.558 4.320 0.023 0.000 0.255 369 K C -1.352 175.069 176.600 -0.300 0.000 0.941 369 K CA -0.755 55.358 56.287 -0.290 0.000 0.825 369 K CB 1.259 33.482 32.500 -0.460 0.000 1.119 369 K HN 0.397 nan 8.250 nan 0.000 0.430 370 Y N 2.589 122.889 120.300 -0.001 0.000 2.587 370 Y HA 0.053 4.617 4.550 0.024 0.000 0.328 370 Y C 0.620 176.558 175.900 0.064 0.000 0.980 370 Y CA -0.967 57.070 58.100 -0.105 0.000 1.272 370 Y CB 0.648 38.873 38.460 -0.392 0.000 1.094 370 Y HN 0.531 nan 8.280 nan 0.000 0.503 371 E N 3.175 123.544 120.200 0.282 0.000 2.392 371 E HA -0.016 4.347 4.350 0.023 0.000 0.256 371 E C -0.805 176.039 176.600 0.406 0.000 1.145 371 E CA -0.575 56.005 56.400 0.299 0.000 0.929 371 E CB 0.944 30.765 29.700 0.203 0.000 0.998 371 E HN 0.588 nan 8.360 nan 0.000 0.442 372 F N 1.672 121.733 119.950 0.184 0.000 2.502 372 F HA 0.130 4.670 4.527 0.021 0.000 0.371 372 F C -0.281 175.589 175.800 0.117 0.000 1.083 372 F CA 0.201 58.291 58.000 0.151 0.000 1.174 372 F CB 0.438 39.510 39.000 0.119 0.000 1.096 372 F HN 0.363 nan 8.300 nan 0.000 0.545 373 D N 6.986 127.162 120.400 -0.374 0.000 2.312 373 D HA 0.085 4.739 4.640 0.023 0.000 0.229 373 D C 0.305 176.345 176.300 -0.432 0.000 1.337 373 D CA -0.337 53.403 54.000 -0.435 0.000 0.964 373 D CB 0.650 41.292 40.800 -0.263 0.000 1.456 373 D HN 0.599 nan 8.370 nan 0.000 0.547 374 L N 2.443 123.345 121.223 -0.535 0.000 2.191 374 L HA -0.099 4.255 4.340 0.023 0.000 0.212 374 L C 2.239 178.980 176.870 -0.215 0.000 1.103 374 L CA 0.907 55.552 54.840 -0.324 0.000 0.769 374 L CB -0.059 41.831 42.059 -0.282 0.000 0.908 374 L HN 0.245 nan 8.230 nan 0.000 0.438 375 K N 0.318 120.590 120.400 -0.213 0.000 2.057 375 K HA -0.162 4.171 4.320 0.023 0.000 0.206 375 K C 2.122 178.626 176.600 -0.160 0.000 1.050 375 K CA 1.217 57.412 56.287 -0.155 0.000 0.935 375 K CB -0.070 32.349 32.500 -0.135 0.000 0.715 375 K HN 0.249 nan 8.250 nan 0.000 0.439 376 K N 0.549 120.806 120.400 -0.238 0.000 2.097 376 K HA -0.077 4.257 4.320 0.023 0.000 0.205 376 K C 2.241 178.734 176.600 -0.179 0.000 1.050 376 K CA 1.105 57.226 56.287 -0.278 0.000 0.938 376 K CB -0.102 32.038 32.500 -0.600 0.000 0.718 376 K HN 0.126 nan 8.250 nan 0.000 0.442 377 A N 1.611 124.341 122.820 -0.150 0.000 1.877 377 A HA -0.234 4.100 4.320 0.023 0.000 0.216 377 A C 2.078 179.622 177.584 -0.066 0.000 1.186 377 A CA 1.685 53.688 52.037 -0.055 0.000 0.620 377 A CB -0.464 18.501 19.000 -0.059 0.000 0.822 377 A HN 0.409 nan 8.150 nan 0.000 0.443 378 E N -0.103 120.047 120.200 -0.083 0.000 2.077 378 E HA -0.139 4.224 4.350 0.023 0.000 0.193 378 E C 2.093 178.682 176.600 -0.018 0.000 0.989 378 E CA 1.121 57.487 56.400 -0.057 0.000 0.800 378 E CB -0.266 29.398 29.700 -0.060 0.000 0.746 378 E HN 0.529 nan 8.360 nan 0.000 0.452 379 A N 0.950 123.753 122.820 -0.027 0.000 1.902 379 A HA -0.135 4.199 4.320 0.023 0.000 0.217 379 A C 2.204 179.806 177.584 0.030 0.000 1.181 379 A CA 1.102 53.137 52.037 -0.003 0.000 0.623 379 A CB -0.649 18.337 19.000 -0.023 0.000 0.818 379 A HN 0.315 nan 8.150 nan 0.000 0.443 380 L N -0.690 120.552 121.223 0.032 0.000 2.017 380 L HA -0.191 4.163 4.340 0.023 0.000 0.208 380 L C 2.564 179.502 176.870 0.112 0.000 1.073 380 L CA 1.199 56.082 54.840 0.071 0.000 0.745 380 L CB -0.477 41.630 42.059 0.082 0.000 0.894 380 L HN 0.377 nan 8.230 nan 0.000 0.432 381 L N -0.758 120.525 121.223 0.100 0.000 2.093 381 L HA -0.167 4.187 4.340 0.023 0.000 0.208 381 L C 2.819 179.873 176.870 0.306 0.000 1.085 381 L CA 0.998 55.961 54.840 0.204 0.000 0.755 381 L CB -0.703 41.365 42.059 0.016 0.000 0.904 381 L HN 0.232 nan 8.230 nan 0.000 0.435 382 A N 0.009 122.932 122.820 0.171 0.000 1.933 382 A HA -0.211 4.122 4.320 0.023 0.000 0.218 382 A C 2.129 179.783 177.584 0.116 0.000 1.175 382 A CA 1.515 53.638 52.037 0.144 0.000 0.628 382 A CB -0.404 18.644 19.000 0.080 0.000 0.814 382 A HN 0.471 nan 8.150 nan 0.000 0.444 383 E N -0.656 119.608 120.200 0.106 0.000 2.204 383 E HA -0.115 4.248 4.350 0.023 0.000 0.195 383 E C 1.271 177.916 176.600 0.075 0.000 0.990 383 E CA 1.096 57.542 56.400 0.077 0.000 0.821 383 E CB -0.218 29.526 29.700 0.072 0.000 0.750 383 E HN 0.671 nan 8.360 nan 0.000 0.477 384 M N -0.647 119.030 119.600 0.127 0.000 2.493 384 M HA 0.189 4.683 4.480 0.023 0.000 0.244 384 M C 0.909 177.151 176.300 -0.096 0.000 1.182 384 M CA 0.282 55.625 55.300 0.072 0.000 0.981 384 M CB 1.077 33.799 32.600 0.204 0.000 1.551 384 M HN 0.262 nan 8.290 nan 0.000 0.476 385 G N -0.066 108.703 108.800 -0.051 0.000 2.195 385 G HA2 -0.226 3.748 3.960 0.023 0.000 0.246 385 G HA3 -0.226 3.748 3.960 0.023 0.000 0.246 385 G C -0.378 174.446 174.900 -0.127 0.000 0.984 385 G CA -0.546 44.474 45.100 -0.133 0.000 0.633 385 G HN 0.546 nan 8.290 nan 0.000 0.525 386 W N 1.467 122.804 121.300 0.062 0.000 2.210 386 W HA 0.712 5.386 4.660 0.023 0.000 0.330 386 W C 0.857 177.405 176.519 0.049 0.000 1.334 386 W CA -0.303 57.088 57.345 0.078 0.000 1.227 386 W CB 0.525 30.058 29.460 0.121 0.000 1.178 386 W HN -0.006 nan 8.180 nan 0.000 0.560 387 R N 2.229 122.906 120.500 0.295 0.000 2.604 387 R HA 0.246 4.600 4.340 0.023 0.000 0.281 387 R C -0.674 175.726 176.300 0.167 0.000 1.020 387 R CA -1.440 54.764 56.100 0.172 0.000 0.899 387 R CB 1.665 32.025 30.300 0.100 0.000 1.205 387 R HN 0.472 nan 8.270 nan 0.000 0.450 388 K N 0.934 121.403 120.400 0.115 0.000 2.451 388 K HA 0.172 4.506 4.320 0.023 0.000 0.280 388 K C 0.811 177.461 176.600 0.082 0.000 1.020 388 K CA 0.332 56.674 56.287 0.092 0.000 1.008 388 K CB 0.676 33.208 32.500 0.054 0.000 0.917 388 K HN 0.719 nan 8.250 nan 0.000 0.478 389 G N 2.918 111.770 108.800 0.087 0.000 2.543 389 G HA2 0.157 4.131 3.960 0.023 0.000 0.290 389 G HA3 0.157 4.131 3.960 0.023 0.000 0.290 389 G C -1.721 173.211 174.900 0.052 0.000 1.310 389 G CA -1.212 43.932 45.100 0.072 0.000 1.025 389 G HN 0.357 nan 8.290 nan 0.000 0.502 390 P HA -0.057 nan 4.420 nan 0.000 0.220 390 P C 0.912 178.232 177.300 0.032 0.000 1.144 390 P CA 1.446 64.566 63.100 0.034 0.000 0.800 390 P CB 0.217 31.935 31.700 0.030 0.000 0.772 391 D N -2.485 117.938 120.400 0.038 0.000 2.340 391 D HA 0.122 4.776 4.640 0.023 0.000 0.217 391 D C 1.369 177.689 176.300 0.033 0.000 1.081 391 D CA 0.386 54.407 54.000 0.035 0.000 0.842 391 D CB -0.720 40.103 40.800 0.039 0.000 0.934 391 D HN 0.184 nan 8.370 nan 0.000 0.511 392 G N 0.153 108.974 108.800 0.035 0.000 2.176 392 G HA2 -0.221 3.753 3.960 0.023 0.000 0.253 392 G HA3 -0.221 3.753 3.960 0.023 0.000 0.253 392 G C -0.028 174.890 174.900 0.030 0.000 0.979 392 G CA 0.230 45.347 45.100 0.028 0.000 0.641 392 G HN 0.342 nan 8.290 nan 0.000 0.530 393 I N 1.527 122.127 120.570 0.050 0.000 2.392 393 I HA 0.442 4.626 4.170 0.023 0.000 0.295 393 I C 1.258 177.438 176.117 0.106 0.000 0.985 393 I CA -1.319 60.017 61.300 0.060 0.000 1.221 393 I CB 1.241 39.288 38.000 0.077 0.000 1.366 393 I HN 0.011 nan 8.210 nan 0.000 0.467 394 L N 5.953 127.239 121.223 0.105 0.000 2.485 394 L HA 0.122 4.476 4.340 0.023 0.000 0.275 394 L C 0.404 177.539 176.870 0.441 0.000 1.207 394 L CA 0.156 55.138 54.840 0.237 0.000 0.855 394 L CB 0.164 42.303 42.059 0.132 0.000 1.114 394 L HN 0.679 nan 8.230 nan 0.000 0.485 395 Q N 3.364 123.479 119.800 0.525 0.000 2.462 395 Q HA 0.819 5.173 4.340 0.023 0.000 0.285 395 Q C -1.320 174.829 176.000 0.248 0.000 1.035 395 Q CA -1.268 54.807 55.803 0.452 0.000 0.799 395 Q CB 2.626 31.498 28.738 0.225 0.000 1.452 395 Q HN 0.681 nan 8.270 nan 0.000 0.404 396 R N -0.535 119.945 120.500 -0.033 0.000 2.664 396 R HA 0.626 4.980 4.340 0.023 0.000 0.266 396 R C -1.620 174.553 176.300 -0.212 0.000 1.046 396 R CA -0.768 55.175 56.100 -0.262 0.000 0.885 396 R CB 1.867 31.726 30.300 -0.734 0.000 1.254 396 R HN 0.564 nan 8.270 nan 0.000 0.465 397 T N 1.803 116.256 114.554 -0.168 0.000 2.791 397 T HA 0.427 4.791 4.350 0.023 0.000 0.288 397 T C -0.924 173.697 174.700 -0.132 0.000 0.999 397 T CA -0.597 61.432 62.100 -0.118 0.000 0.952 397 T CB 1.427 70.254 68.868 -0.067 0.000 0.938 397 T HN 0.330 nan 8.240 nan 0.000 0.444 398 V N 5.075 124.913 119.914 -0.126 0.000 2.378 398 V HA 0.382 4.516 4.120 0.023 0.000 0.288 398 V C 0.315 176.366 176.094 -0.072 0.000 1.016 398 V CA -1.027 61.207 62.300 -0.111 0.000 0.840 398 V CB 1.095 32.839 31.823 -0.131 0.000 0.994 398 V HN 0.998 nan 8.190 nan 0.000 0.431 399 N N 4.220 122.886 118.700 -0.058 0.000 2.735 399 N HA -0.226 4.528 4.740 0.023 0.000 0.248 399 N C 1.195 176.684 175.510 -0.036 0.000 1.083 399 N CA 1.385 54.410 53.050 -0.041 0.000 0.703 399 N CB -1.005 37.460 38.487 -0.037 0.000 1.005 399 N HN 1.494 nan 8.380 nan 0.000 0.550 400 G N -0.323 108.455 108.800 -0.038 0.000 2.253 400 G HA2 -0.378 3.596 3.960 0.023 0.000 0.251 400 G HA3 -0.378 3.596 3.960 0.023 0.000 0.251 400 G C 0.071 174.954 174.900 -0.028 0.000 0.998 400 G CA 0.576 45.658 45.100 -0.029 0.000 0.621 400 G HN 0.642 nan 8.290 nan 0.000 0.524 401 R N 1.519 121.998 120.500 -0.035 0.000 2.202 401 R HA 0.515 4.869 4.340 0.023 0.000 0.334 401 R C -0.549 175.728 176.300 -0.039 0.000 1.036 401 R CA 0.072 56.153 56.100 -0.031 0.000 0.878 401 R CB 0.347 30.629 30.300 -0.030 0.000 1.067 401 R HN 0.115 nan 8.270 nan 0.000 0.457 402 T N 4.645 119.187 114.554 -0.020 0.000 2.771 402 T HA 0.334 4.697 4.350 0.023 0.000 0.291 402 T C -0.393 174.315 174.700 0.014 0.000 0.954 402 T CA -0.553 61.539 62.100 -0.012 0.000 1.045 402 T CB 1.171 70.042 68.868 0.005 0.000 0.917 402 T HN 0.485 nan 8.240 nan 0.000 0.484 403 V N 1.852 121.784 119.914 0.030 0.000 2.876 403 V HA 0.729 4.863 4.120 0.023 0.000 0.312 403 V C -0.618 175.615 176.094 0.232 0.000 1.085 403 V CA -1.425 60.935 62.300 0.099 0.000 0.945 403 V CB 1.964 33.840 31.823 0.089 0.000 1.017 403 V HN 0.739 nan 8.190 nan 0.000 0.428 404 R N 2.425 123.055 120.500 0.216 0.000 2.474 404 R HA 0.486 4.840 4.340 0.023 0.000 0.295 404 R C -0.863 175.581 176.300 0.241 0.000 0.980 404 R CA -0.552 55.702 56.100 0.257 0.000 0.934 404 R CB 2.142 32.537 30.300 0.158 0.000 1.101 404 R HN 0.845 nan 8.270 nan 0.000 0.469 405 F N 2.692 122.676 119.950 0.057 0.000 2.619 405 F HA 0.068 4.609 4.527 0.023 0.000 0.350 405 F C 0.208 175.949 175.800 -0.099 0.000 1.259 405 F CA 0.176 58.057 58.000 -0.199 0.000 1.204 405 F CB 0.144 38.755 39.000 -0.649 0.000 1.556 405 F HN 0.404 nan 8.300 nan 0.000 0.650 406 E N 6.010 126.321 120.200 0.185 0.000 2.155 406 E HA 0.361 4.725 4.350 0.023 0.000 0.264 406 E C -1.355 175.328 176.600 0.139 0.000 0.886 406 E CA -0.724 55.776 56.400 0.168 0.000 0.752 406 E CB 1.470 31.237 29.700 0.111 0.000 1.133 406 E HN 0.626 nan 8.360 nan 0.000 0.414 407 I N 3.299 123.985 120.570 0.194 0.000 2.530 407 I HA 0.303 4.486 4.170 0.023 0.000 0.297 407 I C -0.287 175.935 176.117 0.174 0.000 1.011 407 I CA -0.724 60.676 61.300 0.167 0.000 1.107 407 I CB 1.503 39.646 38.000 0.238 0.000 1.285 407 I HN 0.624 nan 8.210 nan 0.000 0.436 408 E N 5.581 125.881 120.200 0.167 0.000 2.373 408 E HA 0.043 4.407 4.350 0.023 0.000 0.267 408 E C -1.911 174.854 176.600 0.275 0.000 1.032 408 E CA -0.211 56.309 56.400 0.200 0.000 0.889 408 E CB 0.845 30.656 29.700 0.186 0.000 0.984 408 E HN 0.475 nan 8.360 nan 0.000 0.425 409 Y N 4.448 124.825 120.300 0.127 0.000 2.349 409 Y HA 0.301 4.864 4.550 0.022 0.000 0.324 409 Y C -1.418 174.538 175.900 0.093 0.000 1.005 409 Y CA -0.951 57.228 58.100 0.132 0.000 1.240 409 Y CB 0.786 39.322 38.460 0.126 0.000 1.117 409 Y HN 0.249 nan 8.280 nan 0.000 0.463 410 V N 5.266 125.425 119.914 0.408 0.000 2.532 410 V HA 0.791 4.924 4.120 0.023 0.000 0.295 410 V C 0.091 176.318 176.094 0.222 0.000 1.041 410 V CA -0.278 62.103 62.300 0.135 0.000 0.926 410 V CB 1.699 33.425 31.823 -0.162 0.000 0.992 410 V HN 0.826 nan 8.190 nan 0.000 0.457 411 T N 1.380 115.963 114.554 0.048 0.000 2.711 411 T HA 0.383 4.747 4.350 0.023 0.000 0.302 411 T C -0.553 174.103 174.700 -0.075 0.000 1.373 411 T CA -0.053 62.108 62.100 0.102 0.000 1.000 411 T CB 1.800 70.726 68.868 0.096 0.000 1.483 411 T HN 0.881 nan 8.240 nan 0.000 0.499 412 T N 1.540 116.056 114.554 -0.065 0.000 2.738 412 T HA 0.627 4.990 4.350 0.023 0.000 0.293 412 T C 0.552 175.189 174.700 -0.105 0.000 0.913 412 T CA -0.322 61.687 62.100 -0.152 0.000 1.103 412 T CB 0.161 68.975 68.868 -0.090 0.000 0.880 412 T HN 0.884 nan 8.240 nan 0.000 0.526 413 A N 2.953 125.690 122.820 -0.138 0.000 2.531 413 A HA 0.553 4.887 4.320 0.023 0.000 0.236 413 A C 1.684 179.228 177.584 -0.066 0.000 1.062 413 A CA 0.136 52.113 52.037 -0.100 0.000 0.760 413 A CB -0.960 17.972 19.000 -0.113 0.000 0.995 413 A HN 2.218 nan 8.150 nan 0.000 0.501 414 G N 1.050 109.822 108.800 -0.047 0.000 2.268 414 G HA2 -0.267 3.707 3.960 0.023 0.000 0.240 414 G HA3 -0.267 3.707 3.960 0.023 0.000 0.240 414 G C 0.475 175.369 174.900 -0.011 0.000 1.010 414 G CA 0.326 45.410 45.100 -0.027 0.000 0.618 414 G HN 1.029 nan 8.290 nan 0.000 0.516 415 N N 1.364 120.061 118.700 -0.005 0.000 2.448 415 N HA 0.317 5.071 4.740 0.023 0.000 0.250 415 N C 1.800 177.318 175.510 0.013 0.000 1.136 415 N CA 0.511 53.574 53.050 0.022 0.000 0.953 415 N CB 1.017 39.532 38.487 0.046 0.000 1.251 415 N HN 0.120 nan 8.380 nan 0.000 0.502 416 V N 3.880 123.795 119.914 0.002 0.000 2.324 416 V HA -0.218 3.916 4.120 0.023 0.000 0.250 416 V C 2.311 178.392 176.094 -0.020 0.000 1.060 416 V CA 1.390 63.677 62.300 -0.021 0.000 1.042 416 V CB -0.430 31.370 31.823 -0.039 0.000 0.650 416 V HN 0.519 nan 8.190 nan 0.000 0.450 417 V N -0.288 119.639 119.914 0.021 0.000 2.490 417 V HA -0.245 3.889 4.120 0.023 0.000 0.250 417 V C 2.643 178.808 176.094 0.118 0.000 1.061 417 V CA 2.106 64.439 62.300 0.055 0.000 1.064 417 V CB -0.460 31.480 31.823 0.195 0.000 0.670 417 V HN 0.494 nan 8.190 nan 0.000 0.461 418 R N -0.513 120.045 120.500 0.097 0.000 2.090 418 R HA -0.086 4.268 4.340 0.023 0.000 0.228 418 R C 2.210 178.503 176.300 -0.011 0.000 1.110 418 R CA 1.598 57.741 56.100 0.071 0.000 0.973 418 R CB -0.189 30.150 30.300 0.065 0.000 0.869 418 R HN 0.619 nan 8.270 nan 0.000 0.440 419 E N 0.158 120.341 120.200 -0.028 0.000 2.106 419 E HA -0.158 4.205 4.350 0.023 0.000 0.192 419 E C 2.021 178.591 176.600 -0.051 0.000 0.984 419 E CA 0.926 57.286 56.400 -0.066 0.000 0.806 419 E CB 0.059 29.725 29.700 -0.057 0.000 0.750 419 E HN 0.246 nan 8.360 nan 0.000 0.458 420 R N 0.129 120.617 120.500 -0.020 0.000 2.075 420 R HA -0.050 4.304 4.340 0.023 0.000 0.232 420 R C 2.424 178.785 176.300 0.103 0.000 1.126 420 R CA 1.542 57.654 56.100 0.020 0.000 0.963 420 R CB -0.273 29.971 30.300 -0.094 0.000 0.858 420 R HN 0.079 nan 8.270 nan 0.000 0.435 421 T N 1.146 115.737 114.554 0.062 0.000 2.720 421 T HA -0.191 4.173 4.350 0.023 0.000 0.268 421 T C 1.764 176.335 174.700 -0.215 0.000 1.037 421 T CA 1.311 63.293 62.100 -0.196 0.000 1.144 421 T CB -0.136 68.633 68.868 -0.165 0.000 0.864 421 T HN 0.339 nan 8.240 nan 0.000 0.444 422 Q N 0.673 120.383 119.800 -0.150 0.000 2.061 422 Q HA -0.174 4.180 4.340 0.023 0.000 0.204 422 Q C 2.601 178.598 176.000 -0.005 0.000 0.984 422 Q CA 1.461 57.125 55.803 -0.230 0.000 0.846 422 Q CB -0.208 28.206 28.738 -0.539 0.000 0.902 422 Q HN 0.623 nan 8.270 nan 0.000 0.421 423 Q N -0.397 119.403 119.800 0.000 0.000 2.079 423 Q HA -0.165 4.189 4.340 0.023 0.000 0.200 423 Q C 1.861 177.924 176.000 0.105 0.000 0.974 423 Q CA 1.197 57.031 55.803 0.051 0.000 0.840 423 Q CB -0.178 28.584 28.738 0.039 0.000 0.898 423 Q HN 0.308 nan 8.270 nan 0.000 0.430 424 F N 0.373 120.285 119.950 -0.062 0.000 2.075 424 F HA -0.242 4.299 4.527 0.023 0.000 0.297 424 F C 1.632 177.447 175.800 0.024 0.000 1.113 424 F CA 1.329 59.275 58.000 -0.089 0.000 1.218 424 F CB -0.081 38.761 39.000 -0.263 0.000 0.984 424 F HN -0.031 nan 8.300 nan 0.000 0.472 425 F N 0.617 120.744 119.950 0.295 0.000 2.186 425 F HA 0.010 4.550 4.527 0.022 0.000 0.299 425 F C 2.620 178.483 175.800 0.104 0.000 1.090 425 F CA 0.690 58.806 58.000 0.194 0.000 1.307 425 F CB -1.806 37.362 39.000 0.280 0.000 1.019 425 F HN 0.071 nan 8.300 nan 0.000 0.489 426 A N -0.183 122.823 122.820 0.310 0.000 1.940 426 A HA -0.261 4.073 4.320 0.023 0.000 0.219 426 A C 2.241 179.880 177.584 0.093 0.000 1.176 426 A CA 1.891 54.041 52.037 0.188 0.000 0.631 426 A CB -0.944 18.145 19.000 0.147 0.000 0.814 426 A HN 0.449 nan 8.150 nan 0.000 0.446 427 E N -0.373 119.853 120.200 0.043 0.000 2.077 427 E HA -0.237 4.126 4.350 0.023 0.000 0.193 427 E C 1.215 177.811 176.600 -0.006 0.000 0.989 427 E CA 1.461 57.854 56.400 -0.013 0.000 0.800 427 E CB -0.107 29.543 29.700 -0.084 0.000 0.746 427 E HN 0.557 nan 8.360 nan 0.000 0.452 428 D N 0.244 120.650 120.400 0.010 0.000 2.162 428 D HA -0.083 4.571 4.640 0.023 0.000 0.203 428 D C 2.158 178.493 176.300 0.058 0.000 0.967 428 D CA 0.564 54.605 54.000 0.069 0.000 0.840 428 D CB -0.084 40.815 40.800 0.165 0.000 0.972 428 D HN 0.253 nan 8.370 nan 0.000 0.482 429 L N 0.822 122.077 121.223 0.052 0.000 2.083 429 L HA -0.162 4.191 4.340 0.023 0.000 0.209 429 L C 2.468 179.311 176.870 -0.046 0.000 1.083 429 L CA 1.080 55.910 54.840 -0.016 0.000 0.752 429 L CB -0.254 41.804 42.059 -0.002 0.000 0.899 429 L HN -0.030 nan 8.230 nan 0.000 0.433 430 K N 0.574 120.969 120.400 -0.009 0.000 2.147 430 K HA -0.190 4.144 4.320 0.023 0.000 0.205 430 K C 2.036 178.621 176.600 -0.025 0.000 1.049 430 K CA 1.227 57.505 56.287 -0.015 0.000 0.936 430 K CB 0.101 32.605 32.500 0.006 0.000 0.722 430 K HN 0.217 nan 8.250 nan 0.000 0.446 431 K N 0.596 120.986 120.400 -0.018 0.000 2.209 431 K HA -0.119 4.215 4.320 0.023 0.000 0.204 431 K C 1.804 178.379 176.600 -0.041 0.000 1.048 431 K CA 1.569 57.844 56.287 -0.020 0.000 0.940 431 K CB -0.147 32.349 32.500 -0.005 0.000 0.729 431 K HN 0.438 nan 8.250 nan 0.000 0.451 432 I N -3.884 116.645 120.570 -0.069 0.000 3.928 432 I HA 0.325 4.509 4.170 0.023 0.000 0.335 432 I C 0.622 176.661 176.117 -0.130 0.000 1.325 432 I CA 0.107 61.347 61.300 -0.100 0.000 1.107 432 I CB 0.485 38.407 38.000 -0.130 0.000 1.014 432 I HN 0.147 nan 8.210 nan 0.000 0.400 433 G N 2.230 110.965 108.800 -0.107 0.000 2.131 433 G HA2 -0.195 3.779 3.960 0.023 0.000 0.223 433 G HA3 -0.195 3.779 3.960 0.023 0.000 0.223 433 G C -0.099 174.695 174.900 -0.177 0.000 0.990 433 G CA -0.105 44.933 45.100 -0.103 0.000 0.671 433 G HN 0.445 nan 8.290 nan 0.000 0.521 434 I N 1.510 121.937 120.570 -0.238 0.000 2.330 434 I HA 0.595 4.779 4.170 0.023 0.000 0.289 434 I C 0.741 176.815 176.117 -0.071 0.000 1.001 434 I CA -0.534 60.588 61.300 -0.297 0.000 1.193 434 I CB 1.600 39.276 38.000 -0.540 0.000 1.345 434 I HN 0.280 nan 8.210 nan 0.000 0.461 435 A N 6.676 129.515 122.820 0.032 0.000 2.304 435 A HA 0.730 5.064 4.320 0.023 0.000 0.301 435 A C -0.476 177.177 177.584 0.114 0.000 1.132 435 A CA -0.395 51.685 52.037 0.072 0.000 0.819 435 A CB 1.044 20.093 19.000 0.082 0.000 1.094 435 A HN 0.466 nan 8.150 nan 0.000 0.492 436 V N 2.288 122.274 119.914 0.121 0.000 2.448 436 V HA 0.394 4.527 4.120 0.023 0.000 0.295 436 V C 0.050 176.230 176.094 0.142 0.000 1.025 436 V CA -0.627 61.775 62.300 0.169 0.000 0.859 436 V CB 1.645 33.607 31.823 0.230 0.000 0.988 436 V HN 0.907 nan 8.190 nan 0.000 0.431 437 K N 5.500 125.992 120.400 0.153 0.000 2.316 437 K HA 0.482 4.816 4.320 0.023 0.000 0.267 437 K C -0.671 176.004 176.600 0.125 0.000 1.025 437 K CA -0.661 55.695 56.287 0.115 0.000 0.896 437 K CB 0.753 33.314 32.500 0.102 0.000 1.124 437 K HN 0.482 nan 8.250 nan 0.000 0.451 438 I N 3.432 124.048 120.570 0.077 0.000 2.496 438 I HA 0.048 4.231 4.170 0.023 0.000 0.285 438 I C 0.014 176.151 176.117 0.033 0.000 1.080 438 I CA -0.024 61.299 61.300 0.038 0.000 1.404 438 I CB 0.609 38.596 38.000 -0.022 0.000 1.403 438 I HN 0.683 nan 8.210 nan 0.000 0.539 439 N N 5.506 124.224 118.700 0.031 0.000 2.710 439 N HA 0.223 4.977 4.740 0.023 0.000 0.244 439 N C -1.226 174.255 175.510 -0.049 0.000 1.321 439 N CA -0.368 52.690 53.050 0.012 0.000 0.758 439 N CB 0.440 38.966 38.487 0.065 0.000 1.284 439 N HN 0.396 nan 8.380 nan 0.000 0.530 440 N N 0.948 119.595 118.700 -0.088 0.000 2.466 440 N HA 0.837 5.591 4.740 0.023 0.000 0.294 440 N C -0.792 174.602 175.510 -0.194 0.000 1.129 440 N CA -0.419 52.541 53.050 -0.150 0.000 0.931 440 N CB 1.914 40.327 38.487 -0.123 0.000 1.193 440 N HN 0.503 nan 8.380 nan 0.000 0.500 441 A N 0.608 123.261 122.820 -0.279 0.000 2.602 441 A HA 0.685 5.019 4.320 0.023 0.000 0.290 441 A C -2.882 174.515 177.584 -0.312 0.000 1.114 441 A CA -1.127 50.735 52.037 -0.293 0.000 0.683 441 A CB 1.309 20.077 19.000 -0.386 0.000 1.281 441 A HN 0.464 nan 8.150 nan 0.000 0.416 442 P HA 0.089 nan 4.420 nan 0.000 0.272 442 P C 0.988 178.087 177.300 -0.334 0.000 1.240 442 P CA 0.456 63.417 63.100 -0.232 0.000 0.791 442 P CB 1.121 32.727 31.700 -0.157 0.000 0.978 443 S N 1.836 117.370 115.700 -0.277 0.000 2.372 443 S HA -0.254 4.230 4.470 0.023 0.000 0.227 443 S C 1.992 176.465 174.600 -0.212 0.000 1.044 443 S CA 1.887 59.899 58.200 -0.313 0.000 1.050 443 S CB -1.221 61.994 63.200 0.025 0.000 0.901 443 S HN 0.556 nan 8.310 nan 0.000 0.447 444 A N 0.057 122.804 122.820 -0.121 0.000 2.070 444 A HA 0.052 4.386 4.320 0.023 0.000 0.220 444 A C 2.211 179.730 177.584 -0.108 0.000 1.159 444 A CA 1.646 53.643 52.037 -0.067 0.000 0.656 444 A CB -0.547 18.420 19.000 -0.055 0.000 0.800 444 A HN 0.494 nan 8.150 nan 0.000 0.453 445 V N -0.455 119.326 119.914 -0.221 0.000 2.403 445 V HA -0.122 4.012 4.120 0.023 0.000 0.239 445 V C 2.610 178.451 176.094 -0.421 0.000 1.041 445 V CA 1.522 63.662 62.300 -0.267 0.000 1.051 445 V CB -0.325 31.309 31.823 -0.315 0.000 0.704 445 V HN 0.521 nan 8.190 nan 0.000 0.472 446 V N -2.706 116.779 119.914 -0.714 0.000 2.759 446 V HA -0.085 4.049 4.120 0.023 0.000 0.256 446 V C 1.927 177.827 176.094 -0.322 0.000 1.080 446 V CA 1.739 63.456 62.300 -0.970 0.000 1.101 446 V CB -0.909 30.236 31.823 -1.129 0.000 0.698 446 V HN 0.400 nan 8.190 nan 0.000 0.477 447 F N 1.484 121.366 119.950 -0.114 0.000 2.695 447 F HA 0.717 5.258 4.527 0.023 0.000 0.303 447 F C 1.444 177.241 175.800 -0.004 0.000 1.091 447 F CA -0.892 57.059 58.000 -0.082 0.000 1.300 447 F CB -0.869 38.039 39.000 -0.153 0.000 1.071 447 F HN 0.212 nan 8.300 nan 0.000 0.578 448 A N 0.798 123.716 122.820 0.162 0.000 2.371 448 A HA 0.264 4.598 4.320 0.023 0.000 0.257 448 A C 1.418 179.110 177.584 0.179 0.000 1.089 448 A CA -0.026 52.091 52.037 0.134 0.000 0.794 448 A CB 0.206 19.255 19.000 0.082 0.000 1.029 448 A HN 0.312 nan 8.150 nan 0.000 0.488 449 D N 1.230 121.710 120.400 0.134 0.000 2.149 449 D HA -0.266 4.388 4.640 0.023 0.000 0.194 449 D C 1.045 177.424 176.300 0.133 0.000 1.001 449 D CA 2.094 56.174 54.000 0.134 0.000 0.849 449 D CB -0.595 40.251 40.800 0.076 0.000 0.939 449 D HN 0.778 nan 8.370 nan 0.000 0.449 450 E N -1.386 118.875 120.200 0.101 0.000 2.396 450 E HA -0.081 4.283 4.350 0.023 0.000 0.200 450 E C 1.165 177.860 176.600 0.159 0.000 1.023 450 E CA 0.469 56.916 56.400 0.078 0.000 0.857 450 E CB -0.129 29.605 29.700 0.057 0.000 0.775 450 E HN 0.399 nan 8.360 nan 0.000 0.525 451 F N -0.461 119.544 119.950 0.092 0.000 2.534 451 F HA 0.181 4.721 4.527 0.023 0.000 0.274 451 F C 1.820 177.812 175.800 0.320 0.000 0.917 451 F CA -0.095 57.989 58.000 0.141 0.000 1.145 451 F CB -0.271 38.742 39.000 0.021 0.000 1.145 451 F HN -0.173 nan 8.300 nan 0.000 0.746 452 I N 0.651 121.580 120.570 0.600 0.000 2.264 452 I HA -0.287 3.897 4.170 0.023 0.000 0.248 452 I C 0.983 177.470 176.117 0.617 0.000 1.111 452 I CA 1.671 63.352 61.300 0.635 0.000 1.382 452 I CB -0.164 38.120 38.000 0.472 0.000 1.060 452 I HN 0.373 nan 8.210 nan 0.000 0.418 453 Q N 0.470 120.515 119.800 0.409 0.000 2.217 453 Q HA 0.170 4.524 4.340 0.023 0.000 0.226 453 Q C 0.039 176.185 176.000 0.243 0.000 0.875 453 Q CA -0.108 55.902 55.803 0.345 0.000 0.974 453 Q CB 0.430 29.334 28.738 0.277 0.000 1.079 453 Q HN 0.247 nan 8.270 nan 0.000 0.463 454 R N -0.985 119.623 120.500 0.181 0.000 2.642 454 R HA 0.304 4.657 4.340 0.023 0.000 0.435 454 R C 0.643 176.810 176.300 -0.221 0.000 1.046 454 R CA 0.080 56.178 56.100 -0.004 0.000 1.103 454 R CB 0.433 30.716 30.300 -0.028 0.000 1.425 454 R HN 0.140 nan 8.270 nan 0.000 0.586 455 A N 0.998 123.633 122.820 -0.309 0.000 1.972 455 A HA -0.167 4.167 4.320 0.023 0.000 0.219 455 A C 2.040 179.205 177.584 -0.699 0.000 1.169 455 A CA 2.007 53.599 52.037 -0.741 0.000 0.635 455 A CB -0.166 18.335 19.000 -0.832 0.000 0.810 455 A HN 0.356 nan 8.150 nan 0.000 0.446 456 S N -0.277 114.820 115.700 -1.006 0.000 2.474 456 S HA -0.091 4.392 4.470 0.023 0.000 0.235 456 S C 1.100 175.387 174.600 -0.521 0.000 0.997 456 S CA 1.232 58.661 58.200 -1.284 0.000 0.949 456 S CB -0.290 62.136 63.200 -1.292 0.000 0.766 456 S HN 0.684 nan 8.310 nan 0.000 0.517 457 E N -0.218 119.775 120.200 -0.345 0.000 2.465 457 E HA 0.252 4.615 4.350 0.023 0.000 0.195 457 E C -0.210 176.276 176.600 -0.190 0.000 1.028 457 E CA 0.040 56.325 56.400 -0.191 0.000 0.899 457 E CB -0.004 29.634 29.700 -0.102 0.000 1.032 457 E HN 0.611 nan 8.360 nan 0.000 0.468 458 c N 0.870 119.311 118.600 -0.265 0.000 4.432 458 c HA -0.156 4.428 4.570 0.023 0.000 0.294 458 c C 1.783 175.740 174.090 -0.223 0.000 1.398 458 c CA 0.736 56.924 56.329 -0.235 0.000 1.988 458 c CB -2.272 40.157 42.510 -0.134 0.000 1.251 458 c HN 0.404 nan 8.230 nan 0.000 0.791 459 K N 1.426 121.648 120.400 -0.296 0.000 2.057 459 K HA -0.058 4.275 4.320 0.023 0.000 0.207 459 K C 0.899 177.323 176.600 -0.294 0.000 1.049 459 K CA 2.058 58.171 56.287 -0.289 0.000 0.931 459 K CB 0.114 32.393 32.500 -0.368 0.000 0.714 459 K HN 0.883 nan 8.250 nan 0.000 0.440 460 W N -0.151 120.895 121.300 -0.423 0.000 2.785 460 W HA 0.403 5.077 4.660 0.023 0.000 0.333 460 W C -0.486 175.991 176.519 -0.071 0.000 1.062 460 W CA -0.332 56.847 57.345 -0.276 0.000 1.233 460 W CB 0.285 29.520 29.460 -0.375 0.000 1.413 460 W HN -0.005 nan 8.180 nan 0.000 0.489 461 T N -0.982 113.649 114.554 0.129 0.000 3.132 461 T HA 0.440 4.804 4.350 0.023 0.000 0.274 461 T C 0.465 175.241 174.700 0.128 0.000 1.011 461 T CA 0.571 62.694 62.100 0.038 0.000 0.899 461 T CB 0.434 69.313 68.868 0.018 0.000 1.089 461 T HN 0.654 nan 8.240 nan 0.000 0.543 462 G N 1.533 110.510 108.800 0.295 0.000 3.385 462 G HA2 0.563 4.537 3.960 0.023 0.000 0.179 462 G HA3 0.563 4.537 3.960 0.023 0.000 0.179 462 G C -0.838 174.288 174.900 0.376 0.000 1.433 462 G CA -0.784 44.472 45.100 0.261 0.000 1.086 462 G HN 0.372 nan 8.290 nan 0.000 0.763 463 M N 0.963 120.723 119.600 0.267 0.000 2.318 463 M HA 0.552 5.046 4.480 0.023 0.000 0.347 463 M C -1.478 174.997 176.300 0.292 0.000 1.175 463 M CA -0.358 55.039 55.300 0.163 0.000 1.075 463 M CB 2.359 34.821 32.600 -0.231 0.000 1.614 463 M HN 0.322 nan 8.290 nan 0.000 0.456 464 F N 2.508 122.462 119.950 0.007 0.000 2.745 464 F HA 0.365 4.906 4.527 0.024 0.000 0.343 464 F C -0.853 174.924 175.800 -0.037 0.000 1.196 464 F CA -0.695 57.264 58.000 -0.068 0.000 1.021 464 F CB 0.983 39.640 39.000 -0.573 0.000 1.297 464 F HN 0.609 nan 8.300 nan 0.000 0.486 465 E N 7.343 127.765 120.200 0.369 0.000 2.197 465 E HA 0.507 4.871 4.350 0.023 0.000 0.281 465 E C -1.462 175.142 176.600 0.007 0.000 0.995 465 E CA -0.370 56.028 56.400 -0.003 0.000 0.808 465 E CB 1.367 31.190 29.700 0.205 0.000 1.093 465 E HN 0.588 nan 8.360 nan 0.000 0.394 466 F N 1.458 121.043 119.950 -0.609 0.000 3.250 466 F HA 0.743 5.285 4.527 0.024 0.000 0.326 466 F C -1.932 173.525 175.800 -0.573 0.000 1.154 466 F CA -1.128 56.607 58.000 -0.440 0.000 0.870 466 F CB 0.629 39.438 39.000 -0.318 0.000 1.476 466 F HN 0.376 nan 8.300 nan 0.000 0.491 467 A N -0.121 122.565 122.820 -0.223 0.000 2.386 467 A HA 0.677 5.011 4.320 0.023 0.000 0.311 467 A C -2.264 175.321 177.584 0.001 0.000 1.068 467 A CA -0.597 51.335 52.037 -0.175 0.000 0.743 467 A CB 0.745 19.717 19.000 -0.047 0.000 1.258 467 A HN 0.748 nan 8.150 nan 0.000 0.429 468 W N 1.725 123.147 121.300 0.204 0.000 2.390 468 W HA 0.524 5.197 4.660 0.022 0.000 0.312 468 W C -0.465 176.179 176.519 0.208 0.000 1.123 468 W CA -0.582 56.905 57.345 0.236 0.000 1.202 468 W CB 1.932 31.566 29.460 0.288 0.000 1.251 468 W HN 0.444 nan 8.180 nan 0.000 0.511 469 V N 4.044 124.202 119.914 0.408 0.000 2.370 469 V HA 0.365 4.499 4.120 0.023 0.000 0.279 469 V C 0.007 176.312 176.094 0.351 0.000 1.029 469 V CA -0.569 61.899 62.300 0.279 0.000 0.870 469 V CB 0.936 32.840 31.823 0.136 0.000 0.984 469 V HN 0.538 nan 8.190 nan 0.000 0.451 470 S N 3.967 119.872 115.700 0.342 0.000 2.621 470 S HA 0.601 5.084 4.470 0.023 0.000 0.302 470 S C -0.127 174.662 174.600 0.314 0.000 1.093 470 S CA -0.827 57.578 58.200 0.340 0.000 1.017 470 S CB 1.695 65.039 63.200 0.241 0.000 1.077 470 S HN 0.957 nan 8.310 nan 0.000 0.517 471 N N 0.307 119.058 118.700 0.085 0.000 2.643 471 N HA 0.377 5.131 4.740 0.023 0.000 0.305 471 N C 0.161 175.519 175.510 -0.253 0.000 1.283 471 N CA -0.895 52.044 53.050 -0.185 0.000 0.946 471 N CB -0.172 37.887 38.487 -0.713 0.000 1.149 471 N HN 0.425 nan 8.380 nan 0.000 0.600 472 L N -1.104 119.773 121.223 -0.576 0.000 2.599 472 L HA 0.104 4.457 4.340 0.023 0.000 0.230 472 L C 0.508 177.232 176.870 -0.244 0.000 1.141 472 L CA 0.487 55.019 54.840 -0.514 0.000 0.877 472 L CB -0.428 41.215 42.059 -0.694 0.000 1.009 472 L HN 0.414 nan 8.230 nan 0.000 0.447 473 Q N 1.006 120.540 119.800 -0.444 0.000 3.247 473 Q HA 0.055 4.409 4.340 0.023 0.000 0.326 473 Q C -0.214 175.452 176.000 -0.556 0.000 1.402 473 Q CA -0.170 55.075 55.803 -0.930 0.000 0.994 473 Q CB 0.112 28.040 28.738 -1.350 0.000 1.647 473 Q HN 0.087 nan 8.270 nan 0.000 0.523 474 E N 2.051 122.203 120.200 -0.080 0.000 2.257 474 E HA -0.017 4.347 4.350 0.023 0.000 0.278 474 E C -0.292 176.587 176.600 0.464 0.000 1.049 474 E CA 0.094 56.571 56.400 0.129 0.000 0.876 474 E CB 0.536 30.230 29.700 -0.011 0.000 1.035 474 E HN 0.354 nan 8.360 nan 0.000 0.419 475 D N 2.860 123.571 120.400 0.519 0.000 2.525 475 D HA 0.171 4.825 4.640 0.023 0.000 0.231 475 D C 1.045 177.671 176.300 0.543 0.000 1.216 475 D CA 0.174 54.556 54.000 0.636 0.000 0.813 475 D CB 0.007 41.128 40.800 0.535 0.000 1.108 475 D HN 0.582 nan 8.370 nan 0.000 0.524 476 G N 1.070 110.257 108.800 0.645 0.000 2.166 476 G HA2 -0.389 3.585 3.960 0.023 0.000 0.260 476 G HA3 -0.389 3.585 3.960 0.023 0.000 0.260 476 G C 1.272 176.373 174.900 0.334 0.000 0.986 476 G CA 1.101 46.553 45.100 0.587 0.000 0.683 476 G HN 0.767 nan 8.290 nan 0.000 0.527 477 S N -0.560 115.273 115.700 0.221 0.000 2.442 477 S HA 0.052 4.535 4.470 0.023 0.000 0.236 477 S C 2.230 176.807 174.600 -0.039 0.000 1.007 477 S CA 1.257 59.534 58.200 0.129 0.000 0.965 477 S CB -0.217 63.055 63.200 0.120 0.000 0.773 477 S HN 0.526 nan 8.310 nan 0.000 0.504 478 L N -0.947 120.120 121.223 -0.260 0.000 2.265 478 L HA 0.062 4.416 4.340 0.023 0.000 0.215 478 L C 1.132 177.469 176.870 -0.888 0.000 1.117 478 L CA 1.214 55.642 54.840 -0.687 0.000 0.782 478 L CB -0.334 41.075 42.059 -1.083 0.000 0.914 478 L HN 0.358 nan 8.230 nan 0.000 0.441 479 F N -1.771 118.159 119.950 -0.033 0.000 2.724 479 F HA 0.234 4.776 4.527 0.023 0.000 0.310 479 F C 0.799 176.740 175.800 0.235 0.000 1.107 479 F CA -0.526 57.505 58.000 0.052 0.000 1.218 479 F CB 0.375 39.198 39.000 -0.295 0.000 1.042 479 F HN -0.066 nan 8.300 nan 0.000 0.540 480 Q N -0.210 119.817 119.800 0.378 0.000 2.259 480 Q HA 0.134 4.488 4.340 0.023 0.000 0.246 480 Q C 0.473 176.629 176.000 0.261 0.000 0.920 480 Q CA -0.376 55.653 55.803 0.376 0.000 0.895 480 Q CB 1.578 30.490 28.738 0.290 0.000 1.220 480 Q HN 0.489 nan 8.270 nan 0.000 0.439 481 Y N 2.315 122.679 120.300 0.107 0.000 2.262 481 Y HA 0.157 4.721 4.550 0.023 0.000 0.295 481 Y C 0.115 176.061 175.900 0.077 0.000 1.121 481 Y CA 0.674 58.809 58.100 0.057 0.000 1.144 481 Y CB 0.841 39.288 38.460 -0.023 0.000 1.043 481 Y HN 0.392 nan 8.280 nan 0.000 0.528 482 K N 1.155 121.482 120.400 -0.122 0.000 2.501 482 K HA 0.163 4.497 4.320 0.023 0.000 0.252 482 K C -1.719 174.883 176.600 0.004 0.000 0.934 482 K CA -0.840 55.333 56.287 -0.190 0.000 0.797 482 K CB 1.230 33.563 32.500 -0.278 0.000 1.270 482 K HN 0.092 nan 8.250 nan 0.000 0.431 483 N N 5.587 124.303 118.700 0.026 0.000 2.408 483 N HA 0.115 4.869 4.740 0.023 0.000 0.257 483 N C 0.723 176.268 175.510 0.060 0.000 1.064 483 N CA -0.111 52.983 53.050 0.075 0.000 0.952 483 N CB 0.816 39.383 38.487 0.133 0.000 1.093 483 N HN 0.679 nan 8.380 nan 0.000 0.490 484 L N 2.685 123.937 121.223 0.049 0.000 2.362 484 L HA -0.083 4.270 4.340 0.023 0.000 0.219 484 L C 1.462 178.366 176.870 0.056 0.000 1.134 484 L CA 0.498 55.364 54.840 0.043 0.000 0.807 484 L CB -0.289 41.786 42.059 0.028 0.000 0.927 484 L HN 0.508 nan 8.230 nan 0.000 0.447 485 N N -0.214 118.538 118.700 0.086 0.000 2.300 485 N HA -0.092 4.661 4.740 0.023 0.000 0.179 485 N C 1.826 177.397 175.510 0.102 0.000 1.016 485 N CA 1.895 55.012 53.050 0.113 0.000 0.876 485 N CB -0.059 38.551 38.487 0.204 0.000 0.979 485 N HN 0.435 nan 8.380 nan 0.000 0.432 486 T N -4.726 109.890 114.554 0.103 0.000 2.959 486 T HA 0.363 4.726 4.350 0.023 0.000 0.254 486 T C 1.363 176.097 174.700 0.058 0.000 1.003 486 T CA 0.569 62.715 62.100 0.077 0.000 0.950 486 T CB 0.739 69.658 68.868 0.085 0.000 1.090 486 T HN 0.212 nan 8.240 nan 0.000 0.503 487 G N 1.783 110.612 108.800 0.049 0.000 2.179 487 G HA2 -0.066 3.908 3.960 0.023 0.000 0.260 487 G HA3 -0.066 3.908 3.960 0.023 0.000 0.260 487 G C 0.327 175.230 174.900 0.004 0.000 0.977 487 G CA -0.072 45.042 45.100 0.023 0.000 0.641 487 G HN 1.253 nan 8.290 nan 0.000 0.533 488 A N 0.249 123.086 122.820 0.027 0.000 2.492 488 A HA 0.623 4.957 4.320 0.023 0.000 0.254 488 A C 0.658 178.218 177.584 -0.040 0.000 1.091 488 A CA 0.053 52.104 52.037 0.025 0.000 0.768 488 A CB 0.169 19.218 19.000 0.082 0.000 1.028 488 A HN 0.735 nan 8.150 nan 0.000 0.498 489 I N 3.706 124.225 120.570 -0.084 0.000 2.416 489 I HA 0.069 4.253 4.170 0.023 0.000 0.288 489 I C 0.671 176.752 176.117 -0.060 0.000 1.051 489 I CA -0.256 60.925 61.300 -0.197 0.000 1.375 489 I CB 1.208 39.078 38.000 -0.217 0.000 1.407 489 I HN 0.646 nan 8.210 nan 0.000 0.516 490 M N 6.110 125.684 119.600 -0.043 0.000 2.383 490 M HA 0.208 4.702 4.480 0.023 0.000 0.247 490 M C -0.080 176.291 176.300 0.118 0.000 1.117 490 M CA 0.195 55.531 55.300 0.060 0.000 0.995 490 M CB -0.363 32.285 32.600 0.080 0.000 1.480 490 M HN 0.182 nan 8.290 nan 0.000 0.485 491 V N 5.013 125.010 119.914 0.139 0.000 2.350 491 V HA 0.276 4.409 4.120 0.023 0.000 0.276 491 V C -2.045 174.191 176.094 0.237 0.000 1.028 491 V CA -1.439 61.012 62.300 0.252 0.000 0.860 491 V CB 1.209 33.237 31.823 0.341 0.000 0.990 491 V HN 0.122 nan 8.190 nan 0.000 0.453 492 P HA 0.235 nan 4.420 nan 0.000 0.276 492 P C -0.303 177.081 177.300 0.140 0.000 1.264 492 P CA 0.328 63.555 63.100 0.212 0.000 0.769 492 P CB 0.783 32.647 31.700 0.273 0.000 0.840 493 T N -0.448 114.087 114.554 -0.031 0.000 2.816 493 T HA 0.315 4.679 4.350 0.023 0.000 0.299 493 T C 1.236 175.553 174.700 -0.637 0.000 1.230 493 T CA -0.891 61.088 62.100 -0.203 0.000 1.007 493 T CB 1.539 70.356 68.868 -0.084 0.000 1.289 493 T HN 0.313 nan 8.240 nan 0.000 0.508 494 K N 0.335 120.321 120.400 -0.691 0.000 2.152 494 K HA -0.136 4.198 4.320 0.023 0.000 0.206 494 K C 1.292 177.643 176.600 -0.415 0.000 1.048 494 K CA 1.772 57.570 56.287 -0.815 0.000 0.933 494 K CB -0.353 31.975 32.500 -0.287 0.000 0.721 494 K HN 0.560 nan 8.250 nan 0.000 0.447 495 E N 1.570 121.632 120.200 -0.231 0.000 2.265 495 E HA -0.134 4.230 4.350 0.023 0.000 0.196 495 E C 0.909 177.458 176.600 -0.085 0.000 0.996 495 E CA 1.209 57.544 56.400 -0.107 0.000 0.832 495 E CB -0.083 29.597 29.700 -0.034 0.000 0.756 495 E HN 0.630 nan 8.360 nan 0.000 0.491 496 N N -0.538 118.090 118.700 -0.120 0.000 2.291 496 N HA 0.021 4.775 4.740 0.023 0.000 0.244 496 N C -0.916 174.561 175.510 -0.054 0.000 1.216 496 N CA -0.014 53.004 53.050 -0.054 0.000 0.879 496 N CB -0.293 38.185 38.487 -0.014 0.000 1.167 496 N HN -0.056 nan 8.380 nan 0.000 0.515 497 N N 0.305 118.919 118.700 -0.144 0.000 2.754 497 N HA -0.241 4.513 4.740 0.023 0.000 0.248 497 N C -1.098 174.481 175.510 0.115 0.000 1.093 497 N CA 0.757 53.786 53.050 -0.036 0.000 0.699 497 N CB -2.234 36.311 38.487 0.097 0.000 1.016 497 N HN 0.408 nan 8.380 nan 0.000 0.552 498 Y N -2.728 117.617 120.300 0.076 0.000 3.389 498 Y HA -0.332 4.232 4.550 0.023 0.000 0.213 498 Y C 0.377 176.334 175.900 0.095 0.000 1.272 498 Y CA 0.707 58.856 58.100 0.083 0.000 1.444 498 Y CB -2.181 36.327 38.460 0.079 0.000 1.445 498 Y HN 0.404 nan 8.280 nan 0.000 0.583 499 Q N 0.337 120.238 119.800 0.168 0.000 2.222 499 Q HA 0.659 5.013 4.340 0.023 0.000 0.252 499 Q C 0.782 176.872 176.000 0.149 0.000 0.926 499 Q CA -0.233 55.660 55.803 0.149 0.000 0.899 499 Q CB 2.201 31.009 28.738 0.116 0.000 1.250 499 Q HN 0.524 nan 8.270 nan 0.000 0.441 500 G N 0.725 109.613 108.800 0.148 0.000 2.661 500 G HA2 -0.208 3.766 3.960 0.023 0.000 0.685 500 G HA3 -0.208 3.766 3.960 0.023 0.000 0.685 500 G C -0.491 174.503 174.900 0.158 0.000 1.298 500 G CA -0.696 44.488 45.100 0.140 0.000 0.855 500 G HN 0.618 nan 8.290 nan 0.000 0.560 501 Q N -0.574 119.295 119.800 0.115 0.000 2.139 501 Q HA 0.148 4.502 4.340 0.023 0.000 0.219 501 Q C 0.771 176.837 176.000 0.111 0.000 0.805 501 Q CA -0.433 55.442 55.803 0.121 0.000 1.024 501 Q CB 0.645 29.357 28.738 -0.045 0.000 1.163 501 Q HN 0.423 nan 8.270 nan 0.000 0.485 502 N N 2.218 120.992 118.700 0.123 0.000 3.050 502 N HA 0.021 4.775 4.740 0.023 0.000 0.289 502 N C 0.864 176.560 175.510 0.310 0.000 1.209 502 N CA -0.067 53.058 53.050 0.126 0.000 1.154 502 N CB 0.100 38.681 38.487 0.156 0.000 1.444 502 N HN 0.446 nan 8.380 nan 0.000 0.529 503 I N -1.323 119.504 120.570 0.427 0.000 2.614 503 I HA 0.090 4.274 4.170 0.023 0.000 0.258 503 I C 1.497 178.030 176.117 0.695 0.000 1.189 503 I CA 0.941 62.614 61.300 0.622 0.000 1.462 503 I CB -0.111 38.362 38.000 0.787 0.000 1.092 503 I HN 0.215 nan 8.210 nan 0.000 0.442 504 G N 0.648 109.774 108.800 0.543 0.000 3.042 504 G HA2 0.296 4.270 3.960 0.023 0.000 0.212 504 G HA3 0.296 4.270 3.960 0.023 0.000 0.212 504 G C 1.253 176.131 174.900 -0.037 0.000 1.166 504 G CA 0.253 45.585 45.100 0.387 0.000 0.767 504 G HN 0.787 nan 8.290 nan 0.000 0.546 505 G N -1.029 107.712 108.800 -0.098 0.000 2.225 505 G HA2 -0.287 3.687 3.960 0.023 0.000 0.264 505 G HA3 -0.287 3.687 3.960 0.023 0.000 0.264 505 G C 0.095 174.883 174.900 -0.188 0.000 1.060 505 G CA 0.072 44.831 45.100 -0.568 0.000 0.833 505 G HN 0.431 nan 8.290 nan 0.000 0.498 506 W N 0.549 121.779 121.300 -0.117 0.000 2.261 506 W HA 0.722 5.396 4.660 0.023 0.000 0.323 506 W C 0.546 177.047 176.519 -0.031 0.000 1.243 506 W CA -1.195 56.102 57.345 -0.081 0.000 1.210 506 W CB 0.661 30.114 29.460 -0.013 0.000 1.149 506 W HN 0.296 nan 8.180 nan 0.000 0.562 507 R N 5.532 125.723 120.500 -0.515 0.000 2.502 507 R HA 0.265 4.618 4.340 0.023 0.000 0.298 507 R C -1.617 174.131 176.300 -0.920 0.000 1.018 507 R CA -0.456 55.289 56.100 -0.590 0.000 0.899 507 R CB 0.775 30.744 30.300 -0.551 0.000 1.181 507 R HN 0.624 nan 8.270 nan 0.000 0.444 508 N N 3.903 122.056 118.700 -0.912 0.000 2.558 508 N HA 0.071 4.825 4.740 0.023 0.000 0.285 508 N C -0.651 174.699 175.510 -0.267 0.000 1.112 508 N CA -0.349 52.273 53.050 -0.713 0.000 0.857 508 N CB 1.620 39.430 38.487 -1.130 0.000 1.376 508 N HN 0.613 nan 8.380 nan 0.000 0.526 509 D N 1.709 122.018 120.400 -0.151 0.000 2.144 509 D HA -0.179 4.475 4.640 0.023 0.000 0.199 509 D C 1.309 177.617 176.300 0.012 0.000 0.984 509 D CA 1.330 55.310 54.000 -0.034 0.000 0.834 509 D CB 0.440 41.221 40.800 -0.032 0.000 0.955 509 D HN 0.655 nan 8.370 nan 0.000 0.465 510 E N 0.100 120.311 120.200 0.018 0.000 2.106 510 E HA -0.128 4.236 4.350 0.023 0.000 0.192 510 E C 1.839 178.489 176.600 0.084 0.000 0.984 510 E CA 0.470 56.898 56.400 0.047 0.000 0.806 510 E CB -0.519 29.217 29.700 0.060 0.000 0.750 510 E HN 0.267 nan 8.360 nan 0.000 0.458 511 F N 1.151 121.094 119.950 -0.010 0.000 2.095 511 F HA -0.190 4.351 4.527 0.022 0.000 0.298 511 F C 1.624 177.445 175.800 0.036 0.000 1.104 511 F CA 2.028 60.068 58.000 0.066 0.000 1.232 511 F CB -0.174 38.888 39.000 0.104 0.000 0.987 511 F HN 0.021 nan 8.300 nan 0.000 0.475 512 D N -0.075 120.441 120.400 0.193 0.000 2.117 512 D HA -0.181 4.473 4.640 0.023 0.000 0.197 512 D C 2.366 178.652 176.300 -0.023 0.000 0.987 512 D CA 1.134 55.198 54.000 0.108 0.000 0.829 512 D CB -0.459 40.425 40.800 0.140 0.000 0.961 512 D HN 0.280 nan 8.370 nan 0.000 0.460 513 R N 0.187 120.673 120.500 -0.022 0.000 2.073 513 R HA -0.060 4.294 4.340 0.023 0.000 0.234 513 R C 2.437 178.669 176.300 -0.114 0.000 1.134 513 R CA 0.761 56.833 56.100 -0.047 0.000 0.952 513 R CB -0.297 29.989 30.300 -0.023 0.000 0.850 513 R HN 0.179 nan 8.270 nan 0.000 0.433 514 L N -0.065 121.064 121.223 -0.157 0.000 2.017 514 L HA -0.177 4.176 4.340 0.023 0.000 0.208 514 L C 2.693 179.334 176.870 -0.382 0.000 1.073 514 L CA 2.008 56.709 54.840 -0.233 0.000 0.745 514 L CB -0.733 41.193 42.059 -0.222 0.000 0.894 514 L HN 0.421 nan 8.230 nan 0.000 0.432 515 T N -4.609 109.648 114.554 -0.495 0.000 2.857 515 T HA -0.097 4.266 4.350 0.023 0.000 0.266 515 T C 1.991 176.474 174.700 -0.361 0.000 1.048 515 T CA 1.256 63.001 62.100 -0.591 0.000 1.139 515 T CB -0.311 68.219 68.868 -0.563 0.000 0.874 515 T HN 0.146 nan 8.240 nan 0.000 0.455 516 S N 1.421 116.987 115.700 -0.224 0.000 2.382 516 S HA -0.097 4.386 4.470 0.023 0.000 0.228 516 S C 2.158 176.642 174.600 -0.194 0.000 1.027 516 S CA 1.256 59.361 58.200 -0.158 0.000 0.991 516 S CB -0.397 62.766 63.200 -0.063 0.000 0.823 516 S HN 0.504 nan 8.310 nan 0.000 0.469 517 Q N 1.569 121.258 119.800 -0.185 0.000 2.137 517 Q HA 0.226 4.579 4.340 0.023 0.000 0.198 517 Q C 2.047 177.932 176.000 -0.191 0.000 0.960 517 Q CA 1.350 57.062 55.803 -0.152 0.000 0.847 517 Q CB -0.655 28.012 28.738 -0.118 0.000 0.915 517 Q HN 0.430 nan 8.270 nan 0.000 0.448 518 A N 0.054 122.705 122.820 -0.281 0.000 1.908 518 A HA -0.165 4.169 4.320 0.023 0.000 0.218 518 A C 2.085 179.556 177.584 -0.188 0.000 1.181 518 A CA 2.034 53.902 52.037 -0.281 0.000 0.627 518 A CB -1.179 17.448 19.000 -0.621 0.000 0.818 518 A HN 0.479 nan 8.150 nan 0.000 0.445 519 V N -2.422 117.350 119.914 -0.237 0.000 2.913 519 V HA -0.058 4.076 4.120 0.023 0.000 0.260 519 V C 1.919 177.832 176.094 -0.301 0.000 1.098 519 V CA 1.677 63.819 62.300 -0.263 0.000 1.121 519 V CB -0.848 30.513 31.823 -0.769 0.000 0.714 519 V HN 0.453 nan 8.190 nan 0.000 0.487 520 L N -0.450 120.656 121.223 -0.195 0.000 2.509 520 L HA 0.246 4.600 4.340 0.023 0.000 0.222 520 L C 0.791 177.767 176.870 0.178 0.000 1.123 520 L CA 0.262 55.128 54.840 0.043 0.000 0.856 520 L CB -0.153 41.925 42.059 0.031 0.000 0.985 520 L HN 0.296 nan 8.230 nan 0.000 0.456 521 E N 0.467 120.689 120.200 0.037 0.000 2.001 521 E HA 0.084 4.448 4.350 0.023 0.000 0.279 521 E C 0.267 176.907 176.600 0.067 0.000 1.045 521 E CA -0.138 56.301 56.400 0.066 0.000 0.833 521 E CB 0.767 30.444 29.700 -0.038 0.000 1.077 521 E HN 0.092 nan 8.360 nan 0.000 0.397 522 F N 0.562 120.490 119.950 -0.038 0.000 2.558 522 F HA -0.073 4.468 4.527 0.023 0.000 0.298 522 F C 1.298 177.079 175.800 -0.031 0.000 1.119 522 F CA 0.320 58.317 58.000 -0.005 0.000 1.451 522 F CB 0.162 39.171 39.000 0.016 0.000 1.091 522 F HN 0.239 nan 8.300 nan 0.000 0.563 523 D N 1.093 121.563 120.400 0.116 0.000 2.358 523 D HA 0.041 4.695 4.640 0.023 0.000 0.258 523 D C -1.841 174.433 176.300 -0.043 0.000 1.223 523 D CA -1.979 52.040 54.000 0.032 0.000 0.886 523 D CB 1.421 42.227 40.800 0.010 0.000 1.120 523 D HN -0.011 nan 8.370 nan 0.000 0.482 524 P HA -0.153 nan 4.420 nan 0.000 0.216 524 P C 0.831 178.050 177.300 -0.136 0.000 1.150 524 P CA 1.258 64.292 63.100 -0.110 0.000 0.843 524 P CB 0.325 31.981 31.700 -0.073 0.000 0.787 525 E N -0.732 119.398 120.200 -0.116 0.000 2.072 525 E HA -0.140 4.224 4.350 0.023 0.000 0.191 525 E C 2.159 178.671 176.600 -0.147 0.000 0.985 525 E CA 0.867 57.178 56.400 -0.148 0.000 0.801 525 E CB -0.266 29.363 29.700 -0.118 0.000 0.750 525 E HN 0.262 nan 8.360 nan 0.000 0.452 526 R N 0.529 120.966 120.500 -0.105 0.000 2.073 526 R HA -0.050 4.304 4.340 0.023 0.000 0.229 526 R C 2.466 178.709 176.300 -0.096 0.000 1.120 526 R CA 1.038 57.084 56.100 -0.090 0.000 0.967 526 R CB -0.213 30.052 30.300 -0.059 0.000 0.862 526 R HN 0.017 nan 8.270 nan 0.000 0.436 527 R N 1.513 121.949 120.500 -0.108 0.000 2.081 527 R HA -0.158 4.196 4.340 0.023 0.000 0.235 527 R C 2.158 178.463 176.300 0.008 0.000 1.131 527 R CA 1.728 57.775 56.100 -0.088 0.000 0.960 527 R CB -0.048 30.116 30.300 -0.228 0.000 0.856 527 R HN 0.033 nan 8.270 nan 0.000 0.436 528 K N -0.014 120.322 120.400 -0.107 0.000 2.057 528 K HA -0.247 4.087 4.320 0.023 0.000 0.207 528 K C 2.191 178.671 176.600 -0.200 0.000 1.049 528 K CA 1.833 58.013 56.287 -0.179 0.000 0.931 528 K CB -0.046 32.219 32.500 -0.391 0.000 0.714 528 K HN 0.070 nan 8.250 nan 0.000 0.440 529 Q N 1.072 120.748 119.800 -0.205 0.000 2.096 529 Q HA -0.114 4.240 4.340 0.023 0.000 0.204 529 Q C 1.937 177.945 176.000 0.014 0.000 0.982 529 Q CA 1.627 57.358 55.803 -0.121 0.000 0.850 529 Q CB -0.240 28.431 28.738 -0.111 0.000 0.901 529 Q HN 0.407 nan 8.270 nan 0.000 0.422 530 L N -1.089 120.119 121.223 -0.024 0.000 2.046 530 L HA -0.122 4.231 4.340 0.023 0.000 0.208 530 L C 2.128 178.965 176.870 -0.056 0.000 1.077 530 L CA 1.119 55.915 54.840 -0.072 0.000 0.747 530 L CB -0.441 41.515 42.059 -0.172 0.000 0.896 530 L HN 0.218 nan 8.230 nan 0.000 0.432 531 F N -1.467 118.490 119.950 0.012 0.000 2.234 531 F HA -0.209 4.332 4.527 0.023 0.000 0.299 531 F C 2.051 177.957 175.800 0.177 0.000 1.087 531 F CA 1.010 59.050 58.000 0.066 0.000 1.340 531 F CB -0.232 38.788 39.000 0.033 0.000 1.031 531 F HN 0.100 nan 8.300 nan 0.000 0.500 532 W N 0.355 121.698 121.300 0.072 0.000 2.381 532 W HA -0.076 4.595 4.660 0.018 0.000 0.301 532 W C 2.443 178.982 176.519 0.033 0.000 1.205 532 W CA 0.672 58.019 57.345 0.003 0.000 1.285 532 W CB -0.729 28.713 29.460 -0.030 0.000 1.133 532 W HN -0.217 nan 8.180 nan 0.000 0.521 533 R N -0.027 120.625 120.500 0.254 0.000 2.075 533 R HA -0.076 4.277 4.340 0.023 0.000 0.232 533 R C 2.171 178.589 176.300 0.196 0.000 1.126 533 R CA 1.539 57.742 56.100 0.172 0.000 0.963 533 R CB -1.467 28.896 30.300 0.105 0.000 0.858 533 R HN 0.180 nan 8.270 nan 0.000 0.435 534 A N 1.246 124.168 122.820 0.170 0.000 1.908 534 A HA -0.213 4.121 4.320 0.023 0.000 0.218 534 A C 2.135 180.078 177.584 0.599 0.000 1.181 534 A CA 1.393 53.583 52.037 0.255 0.000 0.627 534 A CB -0.420 18.535 19.000 -0.076 0.000 0.818 534 A HN 0.380 nan 8.150 nan 0.000 0.445 535 Q N -0.689 119.364 119.800 0.423 0.000 2.167 535 Q HA -0.169 4.184 4.340 0.023 0.000 0.202 535 Q C 1.946 178.149 176.000 0.337 0.000 0.970 535 Q CA 1.453 57.468 55.803 0.354 0.000 0.855 535 Q CB -0.138 28.537 28.738 -0.105 0.000 0.911 535 Q HN 0.782 nan 8.270 nan 0.000 0.438 536 E N 0.625 120.964 120.200 0.232 0.000 2.051 536 E HA -0.174 4.190 4.350 0.023 0.000 0.192 536 E C 1.926 178.688 176.600 0.270 0.000 0.991 536 E CA 0.980 57.492 56.400 0.186 0.000 0.799 536 E CB -0.050 29.728 29.700 0.129 0.000 0.748 536 E HN 0.341 nan 8.360 nan 0.000 0.449 537 I N -0.129 120.649 120.570 0.345 0.000 2.226 537 I HA -0.243 3.940 4.170 0.023 0.000 0.245 537 I C 2.290 178.664 176.117 0.428 0.000 1.100 537 I CA 1.027 62.551 61.300 0.374 0.000 1.374 537 I CB -0.289 37.972 38.000 0.434 0.000 1.057 537 I HN 0.296 nan 8.210 nan 0.000 0.413 538 W N 1.790 123.288 121.300 0.330 0.000 2.335 538 W HA -0.299 4.374 4.660 0.023 0.000 0.311 538 W C 2.592 179.094 176.519 -0.029 0.000 1.213 538 W CA 2.227 59.607 57.345 0.060 0.000 1.274 538 W CB -0.103 29.466 29.460 0.180 0.000 1.148 538 W HN 0.102 nan 8.180 nan 0.000 0.498 539 A N 0.013 123.130 122.820 0.495 0.000 1.969 539 A HA -0.198 4.136 4.320 0.023 0.000 0.218 539 A C 1.739 179.456 177.584 0.221 0.000 1.169 539 A CA 1.836 54.096 52.037 0.373 0.000 0.635 539 A CB -0.763 18.473 19.000 0.393 0.000 0.810 539 A HN 0.509 nan 8.150 nan 0.000 0.445 540 E N -0.394 119.913 120.200 0.180 0.000 2.150 540 E HA -0.136 4.227 4.350 0.023 0.000 0.193 540 E C 1.568 178.218 176.600 0.083 0.000 0.985 540 E CA 1.121 57.619 56.400 0.163 0.000 0.814 540 E CB -0.007 29.780 29.700 0.146 0.000 0.752 540 E HN 0.553 nan 8.360 nan 0.000 0.466 541 E N 0.014 120.192 120.200 -0.037 0.000 2.364 541 E HA 0.076 4.440 4.350 0.023 0.000 0.196 541 E C 0.535 176.864 176.600 -0.452 0.000 0.990 541 E CA -0.025 56.296 56.400 -0.132 0.000 0.886 541 E CB 0.360 30.116 29.700 0.093 0.000 0.866 541 E HN 0.176 nan 8.360 nan 0.000 0.493 542 L N 1.911 122.686 121.223 -0.747 0.000 3.795 542 L HA -0.182 4.171 4.340 0.023 0.000 0.489 542 L C -1.418 174.863 176.870 -0.982 0.000 1.259 542 L CA -0.286 53.972 54.840 -0.970 0.000 0.765 542 L CB -1.005 40.654 42.059 -0.667 0.000 1.519 542 L HN 0.122 nan 8.230 nan 0.000 0.842 543 P HA -0.072 nan 4.420 nan 0.000 0.222 543 P C 0.588 177.593 177.300 -0.492 0.000 1.147 543 P CA 1.872 64.277 63.100 -1.158 0.000 0.790 543 P CB 0.364 30.863 31.700 -2.003 0.000 0.780 544 A N -0.563 121.961 122.820 -0.492 0.000 2.515 544 A HA 0.650 4.984 4.320 0.023 0.000 0.296 544 A C -1.047 176.498 177.584 -0.064 0.000 1.094 544 A CA -0.776 51.277 52.037 0.026 0.000 0.718 544 A CB 0.928 20.281 19.000 0.588 0.000 1.307 544 A HN -0.039 nan 8.150 nan 0.000 0.408 545 L N 2.554 123.783 121.223 0.011 0.000 2.257 545 L HA 0.403 4.757 4.340 0.023 0.000 0.290 545 L C -2.179 174.743 176.870 0.088 0.000 1.044 545 L CA -1.826 52.994 54.840 -0.033 0.000 0.810 545 L CB 1.429 43.398 42.059 -0.150 0.000 1.193 545 L HN 0.475 nan 8.230 nan 0.000 0.425 546 P HA 0.178 nan 4.420 nan 0.000 0.276 546 P C -0.043 177.259 177.300 0.003 0.000 1.230 546 P CA -0.267 63.040 63.100 0.346 0.000 0.776 546 P CB 2.093 34.199 31.700 0.677 0.000 0.888 547 L N 3.046 124.142 121.223 -0.211 0.000 2.630 547 L HA 0.252 4.606 4.340 0.023 0.000 0.180 547 L C 0.360 177.190 176.870 -0.066 0.000 1.221 547 L CA 0.496 55.258 54.840 -0.130 0.000 0.853 547 L CB -0.177 41.760 42.059 -0.203 0.000 1.172 547 L HN 0.440 nan 8.230 nan 0.000 0.508 548 Y N -3.441 116.710 120.300 -0.247 0.000 2.656 548 Y HA 0.577 5.140 4.550 0.022 0.000 0.334 548 Y C -1.345 174.391 175.900 -0.274 0.000 1.179 548 Y CA -1.859 56.076 58.100 -0.275 0.000 1.050 548 Y CB 0.502 38.892 38.460 -0.117 0.000 1.308 548 Y HN -0.210 nan 8.280 nan 0.000 0.456 549 F N 2.013 122.084 119.950 0.201 0.000 2.408 549 F HA 0.681 5.221 4.527 0.021 0.000 0.344 549 F C 0.448 176.288 175.800 0.066 0.000 1.112 549 F CA -0.728 57.340 58.000 0.112 0.000 1.096 549 F CB 1.429 40.447 39.000 0.029 0.000 1.129 549 F HN 0.381 nan 8.300 nan 0.000 0.486 550 R N 1.373 122.014 120.500 0.236 0.000 2.674 550 R HA 0.889 5.243 4.340 0.023 0.000 0.266 550 R C -0.948 175.408 176.300 0.093 0.000 1.016 550 R CA -1.155 55.005 56.100 0.101 0.000 1.062 550 R CB 1.676 32.042 30.300 0.110 0.000 1.142 550 R HN 0.712 nan 8.270 nan 0.000 0.517 551 A N 1.691 124.579 122.820 0.114 0.000 2.371 551 A HA 0.429 4.763 4.320 0.023 0.000 0.311 551 A C -1.109 176.650 177.584 0.293 0.000 1.068 551 A CA -0.959 51.218 52.037 0.233 0.000 0.744 551 A CB 1.116 20.327 19.000 0.353 0.000 1.239 551 A HN 0.632 nan 8.150 nan 0.000 0.435 552 N N 3.391 122.202 118.700 0.184 0.000 2.444 552 N HA 0.436 5.189 4.740 0.023 0.000 0.271 552 N C -2.747 172.659 175.510 -0.173 0.000 1.069 552 N CA -1.119 51.920 53.050 -0.018 0.000 0.965 552 N CB 1.432 39.830 38.487 -0.148 0.000 1.092 552 N HN 0.439 nan 8.380 nan 0.000 0.476 553 P HA 0.319 nan 4.420 nan 0.000 0.292 553 P C -1.338 175.615 177.300 -0.579 0.000 1.283 553 P CA -0.233 62.511 63.100 -0.593 0.000 0.835 553 P CB 0.768 32.092 31.700 -0.627 0.000 1.017 554 Y N 0.510 120.728 120.300 -0.137 0.000 2.391 554 Y HA 0.377 4.940 4.550 0.022 0.000 0.341 554 Y C 0.099 176.019 175.900 0.033 0.000 0.965 554 Y CA -0.989 57.140 58.100 0.048 0.000 1.067 554 Y CB 2.401 40.993 38.460 0.221 0.000 1.199 554 Y HN 0.033 nan 8.280 nan 0.000 0.450 555 V N 4.822 124.822 119.914 0.143 0.000 2.357 555 V HA 0.516 4.649 4.120 0.023 0.000 0.284 555 V C -0.717 175.479 176.094 0.171 0.000 1.018 555 V CA -0.776 61.551 62.300 0.046 0.000 0.841 555 V CB 1.266 32.979 31.823 -0.184 0.000 0.991 555 V HN 0.522 nan 8.190 nan 0.000 0.437 556 V N 5.011 125.113 119.914 0.313 0.000 2.531 556 V HA 0.480 4.614 4.120 0.023 0.000 0.301 556 V C 0.312 176.650 176.094 0.407 0.000 1.034 556 V CA -0.899 61.592 62.300 0.319 0.000 0.865 556 V CB 1.826 33.862 31.823 0.354 0.000 0.995 556 V HN 0.873 nan 8.190 nan 0.000 0.424 557 R N 3.362 124.082 120.500 0.368 0.000 2.623 557 R HA 0.140 4.494 4.340 0.023 0.000 0.271 557 R C 0.090 176.432 176.300 0.070 0.000 1.043 557 R CA -0.463 55.663 56.100 0.044 0.000 1.083 557 R CB 0.442 30.806 30.300 0.108 0.000 0.974 557 R HN 0.538 nan 8.270 nan 0.000 0.436 558 K N 1.799 122.151 120.400 -0.080 0.000 2.485 558 K HA 0.008 4.341 4.320 0.023 0.000 0.277 558 K C 0.958 177.642 176.600 0.139 0.000 0.990 558 K CA 1.139 57.437 56.287 0.018 0.000 0.994 558 K CB 0.717 33.180 32.500 -0.062 0.000 0.906 558 K HN 0.947 nan 8.250 nan 0.000 0.488 559 G N 1.026 109.923 108.800 0.161 0.000 2.258 559 G HA2 -0.269 3.704 3.960 0.023 0.000 0.233 559 G HA3 -0.269 3.704 3.960 0.023 0.000 0.233 559 G C -0.145 174.900 174.900 0.242 0.000 1.006 559 G CA -0.011 45.233 45.100 0.240 0.000 0.620 559 G HN 0.464 nan 8.290 nan 0.000 0.511 560 L N 2.281 123.557 121.223 0.088 0.000 2.360 560 L HA 0.649 5.003 4.340 0.023 0.000 0.276 560 L C 0.640 177.428 176.870 -0.137 0.000 1.121 560 L CA -0.435 54.197 54.840 -0.346 0.000 0.845 560 L CB 1.423 43.155 42.059 -0.545 0.000 1.143 560 L HN 0.825 nan 8.230 nan 0.000 0.452 561 V N 2.447 122.266 119.914 -0.158 0.000 2.715 561 V HA 0.647 4.780 4.120 0.023 0.000 0.310 561 V C 0.175 176.246 176.094 -0.037 0.000 1.054 561 V CA -0.710 61.565 62.300 -0.041 0.000 0.928 561 V CB 1.751 33.573 31.823 -0.001 0.000 1.007 561 V HN 0.858 nan 8.190 nan 0.000 0.437 562 N N -0.058 118.647 118.700 0.009 0.000 2.909 562 N HA -0.252 4.502 4.740 0.023 0.000 0.242 562 N C -0.405 174.996 175.510 -0.182 0.000 0.975 562 N CA 1.679 54.713 53.050 -0.026 0.000 0.921 562 N CB -1.616 36.857 38.487 -0.024 0.000 1.112 562 N HN 1.061 nan 8.380 nan 0.000 0.581 563 Y N 1.925 122.083 120.300 -0.236 0.000 2.632 563 Y HA 0.473 5.036 4.550 0.023 0.000 0.336 563 Y C -0.255 175.485 175.900 -0.266 0.000 1.237 563 Y CA -0.293 57.643 58.100 -0.273 0.000 1.595 563 Y CB 0.346 38.674 38.460 -0.220 0.000 1.508 563 Y HN -0.102 nan 8.280 nan 0.000 0.480 564 V N 4.112 123.760 119.914 -0.444 0.000 2.789 564 V HA 0.876 5.009 4.120 0.023 0.000 0.311 564 V C -0.454 175.452 176.094 -0.313 0.000 1.073 564 V CA -0.737 61.356 62.300 -0.346 0.000 0.921 564 V CB 1.615 33.348 31.823 -0.149 0.000 1.009 564 V HN 0.709 nan 8.190 nan 0.000 0.426 565 A N 2.803 125.393 122.820 -0.384 0.000 2.423 565 A HA 1.027 5.361 4.320 0.023 0.000 0.304 565 A C -0.231 177.169 177.584 -0.306 0.000 1.104 565 A CA -0.095 51.759 52.037 -0.306 0.000 0.757 565 A CB 2.110 20.871 19.000 -0.398 0.000 1.313 565 A HN 1.241 nan 8.150 nan 0.000 0.423 566 S N -0.511 114.995 115.700 -0.324 0.000 2.806 566 S HA 0.702 5.186 4.470 0.023 0.000 0.306 566 S C 1.047 175.529 174.600 -0.196 0.000 1.167 566 S CA 0.078 58.102 58.200 -0.293 0.000 0.847 566 S CB 0.969 63.818 63.200 -0.586 0.000 1.216 566 S HN 2.001 nan 8.310 nan 0.000 0.532 567 A N -0.103 122.607 122.820 -0.184 0.000 1.948 567 A HA 0.029 4.363 4.320 0.023 0.000 0.220 567 A C 1.010 178.240 177.584 -0.590 0.000 1.177 567 A CA 1.597 53.410 52.037 -0.373 0.000 0.636 567 A CB -0.949 17.803 19.000 -0.413 0.000 0.815 567 A HN 0.868 nan 8.150 nan 0.000 0.449 568 Y N -0.324 119.908 120.300 -0.112 0.000 2.738 568 Y HA 0.215 4.778 4.550 0.022 0.000 0.249 568 Y C 0.946 176.774 175.900 -0.121 0.000 1.157 568 Y CA -0.567 57.476 58.100 -0.095 0.000 1.189 568 Y CB -0.087 38.380 38.460 0.013 0.000 1.262 568 Y HN 0.254 nan 8.280 nan 0.000 0.554 569 S N -0.001 115.560 115.700 -0.231 0.000 2.546 569 S HA 0.336 4.820 4.470 0.023 0.000 0.290 569 S C 1.510 175.958 174.600 -0.253 0.000 1.290 569 S CA 0.473 58.321 58.200 -0.586 0.000 1.069 569 S CB 0.818 63.425 63.200 -0.988 0.000 0.846 569 S HN 0.969 nan 8.310 nan 0.000 0.495 570 G N 2.239 110.947 108.800 -0.154 0.000 2.155 570 G HA2 0.059 4.033 3.960 0.023 0.000 0.257 570 G HA3 0.059 4.033 3.960 0.023 0.000 0.257 570 G C 1.254 176.251 174.900 0.162 0.000 0.983 570 G CA 0.714 45.971 45.100 0.262 0.000 0.676 570 G HN 2.369 nan 8.290 nan 0.000 0.528 571 G N -1.321 107.490 108.800 0.017 0.000 2.729 571 G HA2 -0.317 3.656 3.960 0.023 0.000 0.216 571 G HA3 -0.317 3.656 3.960 0.023 0.000 0.216 571 G C 0.871 175.521 174.900 -0.416 0.000 1.252 571 G CA 0.693 45.606 45.100 -0.312 0.000 0.751 571 G HN 1.071 nan 8.290 nan 0.000 0.527 572 Y N 1.629 121.757 120.300 -0.286 0.000 2.457 572 Y HA 0.443 5.007 4.550 0.022 0.000 0.263 572 Y C 2.025 177.658 175.900 -0.446 0.000 1.164 572 Y CA 0.670 58.531 58.100 -0.400 0.000 1.274 572 Y CB 0.731 38.821 38.460 -0.617 0.000 1.097 572 Y HN 1.378 nan 8.280 nan 0.000 0.523 573 G N 0.248 108.888 108.800 -0.267 0.000 2.165 573 G HA2 -0.271 3.703 3.960 0.023 0.000 0.226 573 G HA3 -0.271 3.703 3.960 0.023 0.000 0.226 573 G C -0.221 174.679 174.900 0.000 0.000 1.035 573 G CA 0.117 45.117 45.100 -0.167 0.000 0.744 573 G HN 0.580 nan 8.290 nan 0.000 0.501 574 Y N -1.961 118.399 120.300 0.101 0.000 2.659 574 Y HA 0.891 5.455 4.550 0.024 0.000 0.333 574 Y C -2.258 173.675 175.900 0.055 0.000 1.064 574 Y CA -2.876 55.302 58.100 0.130 0.000 1.141 574 Y CB 1.383 39.964 38.460 0.203 0.000 1.316 574 Y HN 0.081 nan 8.280 nan 0.000 0.509 575 P HA 0.266 nan 4.420 nan 0.000 0.278 575 P C 0.379 177.506 177.300 -0.289 0.000 1.266 575 P CA 0.596 63.513 63.100 -0.306 0.000 0.807 575 P CB 1.499 32.599 31.700 -1.000 0.000 1.094 576 G N -0.263 108.178 108.800 -0.599 0.000 2.175 576 G HA2 -0.183 3.790 3.960 0.023 0.000 0.244 576 G HA3 -0.183 3.790 3.960 0.023 0.000 0.244 576 G C 0.635 175.113 174.900 -0.703 0.000 0.982 576 G CA 0.189 44.832 45.100 -0.761 0.000 0.641 576 G HN 0.653 nan 8.290 nan 0.000 0.527 577 W N 1.318 122.375 121.300 -0.405 0.000 2.937 577 W HA 0.261 4.936 4.660 0.024 0.000 0.245 577 W C 0.571 176.898 176.519 -0.319 0.000 1.306 577 W CA 0.853 58.071 57.345 -0.212 0.000 1.470 577 W CB -0.519 28.902 29.460 -0.065 0.000 1.132 577 W HN 0.546 nan 8.180 nan 0.000 0.675 578 N N 0.407 118.232 118.700 -1.458 0.000 2.536 578 N HA 0.236 4.990 4.740 0.023 0.000 0.286 578 N C 0.851 175.364 175.510 -1.662 0.000 1.577 578 N CA 0.136 52.008 53.050 -1.963 0.000 0.883 578 N CB -0.248 36.915 38.487 -2.206 0.000 1.390 578 N HN -0.041 nan 8.380 nan 0.000 0.491 579 A N 0.537 122.709 122.820 -1.079 0.000 2.032 579 A HA -0.159 4.174 4.320 0.023 0.000 0.221 579 A C 1.583 179.050 177.584 -0.194 0.000 1.165 579 A CA 1.455 53.168 52.037 -0.540 0.000 0.645 579 A CB -1.094 17.646 19.000 -0.434 0.000 0.807 579 A HN 0.720 nan 8.150 nan 0.000 0.453 580 W N 0.745 121.954 121.300 -0.151 0.000 2.699 580 W HA 0.090 4.764 4.660 0.023 0.000 0.249 580 W C 1.089 177.482 176.519 -0.209 0.000 1.280 580 W CA 0.845 58.101 57.345 -0.149 0.000 1.345 580 W CB -0.325 29.104 29.460 -0.051 0.000 1.128 580 W HN 0.576 nan 8.180 nan 0.000 0.642 581 E N 0.613 120.484 120.200 -0.548 0.000 2.603 581 E HA 0.221 4.584 4.350 0.023 0.000 0.211 581 E C 0.214 176.785 176.600 -0.049 0.000 0.995 581 E CA -0.336 55.812 56.400 -0.420 0.000 0.990 581 E CB -0.248 29.234 29.700 -0.364 0.000 1.036 581 E HN 0.272 nan 8.360 nan 0.000 0.475 582 I N 1.920 122.459 120.570 -0.051 0.000 2.416 582 I HA 0.432 4.615 4.170 0.023 0.000 0.288 582 I C 0.545 176.721 176.117 0.099 0.000 1.051 582 I CA 0.012 61.305 61.300 -0.012 0.000 1.375 582 I CB 1.268 39.230 38.000 -0.064 0.000 1.407 582 I HN 0.210 nan 8.210 nan 0.000 0.516 583 G N 5.055 113.807 108.800 -0.080 0.000 2.550 583 G HA2 0.415 4.389 3.960 0.023 0.000 0.293 583 G HA3 0.415 4.389 3.960 0.023 0.000 0.293 583 G C -2.303 172.331 174.900 -0.443 0.000 1.402 583 G CA -0.787 44.166 45.100 -0.245 0.000 0.784 583 G HN 0.479 nan 8.290 nan 0.000 0.482 584 W N 1.251 122.505 121.300 -0.077 0.000 2.338 584 W HA 0.406 5.079 4.660 0.023 0.000 0.307 584 W C 1.706 178.165 176.519 -0.099 0.000 1.167 584 W CA -0.386 56.915 57.345 -0.073 0.000 1.208 584 W CB 1.459 30.879 29.460 -0.067 0.000 1.228 584 W HN 0.891 nan 8.180 nan 0.000 0.499 585 E N 0.180 120.468 120.200 0.147 0.000 2.160 585 E HA -0.250 4.114 4.350 0.023 0.000 0.195 585 E C 1.845 178.478 176.600 0.055 0.000 0.991 585 E CA 1.778 58.214 56.400 0.061 0.000 0.810 585 E CB -0.332 29.406 29.700 0.062 0.000 0.742 585 E HN 0.415 nan 8.360 nan 0.000 0.466 586 S N 0.557 116.314 115.700 0.094 0.000 2.474 586 S HA -0.045 4.438 4.470 0.023 0.000 0.235 586 S C 1.822 176.435 174.600 0.022 0.000 0.997 586 S CA 0.545 58.768 58.200 0.039 0.000 0.949 586 S CB -0.135 63.071 63.200 0.009 0.000 0.766 586 S HN 0.249 nan 8.310 nan 0.000 0.517 587 R N 0.231 120.755 120.500 0.040 0.000 2.362 587 R HA 0.328 4.682 4.340 0.023 0.000 0.227 587 R C 1.358 177.626 176.300 -0.052 0.000 0.905 587 R CA 0.429 56.532 56.100 0.005 0.000 1.067 587 R CB 0.371 30.698 30.300 0.045 0.000 1.078 587 R HN 0.558 nan 8.270 nan 0.000 0.516 588 G N 0.459 109.221 108.800 -0.064 0.000 2.179 588 G HA2 -0.267 3.707 3.960 0.023 0.000 0.220 588 G HA3 -0.267 3.707 3.960 0.023 0.000 0.220 588 G C 0.237 175.025 174.900 -0.186 0.000 0.990 588 G CA -0.177 44.870 45.100 -0.089 0.000 0.646 588 G HN 0.439 nan 8.290 nan 0.000 0.517 589 A N 0.253 122.882 122.820 -0.317 0.000 2.546 589 A HA 0.523 4.857 4.320 0.023 0.000 0.243 589 A C 0.735 178.248 177.584 -0.118 0.000 1.063 589 A CA 0.764 52.489 52.037 -0.521 0.000 0.757 589 A CB 0.509 19.238 19.000 -0.450 0.000 0.991 589 A HN 1.209 nan 8.150 nan 0.000 0.503 590 V N 4.587 124.545 119.914 0.073 0.000 2.385 590 V HA 0.149 4.282 4.120 0.023 0.000 0.269 590 V C 0.758 176.916 176.094 0.105 0.000 1.043 590 V CA -0.452 61.912 62.300 0.106 0.000 0.906 590 V CB 0.928 32.836 31.823 0.141 0.000 0.995 590 V HN 0.928 nan 8.190 nan 0.000 0.467 591 K N 4.682 125.111 120.400 0.047 0.000 2.416 591 K HA 0.175 4.509 4.320 0.023 0.000 0.283 591 K C 0.581 177.165 176.600 -0.027 0.000 1.037 591 K CA -0.088 56.217 56.287 0.031 0.000 0.995 591 K CB 0.396 32.909 32.500 0.021 0.000 0.938 591 K HN 0.524 nan 8.250 nan 0.000 0.475 592 K N 3.173 123.534 120.400 -0.064 0.000 2.502 592 K HA 0.099 4.433 4.320 0.023 0.000 0.211 592 K C -0.743 175.449 176.600 -0.680 0.000 1.259 592 K CA 0.241 56.324 56.287 -0.341 0.000 0.983 592 K CB 0.618 32.912 32.500 -0.344 0.000 1.054 592 K HN 0.505 nan 8.250 nan 0.000 0.572 593 W N 0.916 122.212 121.300 -0.008 0.000 2.950 593 W HA 0.314 4.987 4.660 0.022 0.000 0.340 593 W C -0.921 175.609 176.519 0.018 0.000 1.139 593 W CA -0.753 56.615 57.345 0.037 0.000 1.188 593 W CB 1.177 30.665 29.460 0.046 0.000 1.426 593 W HN -0.157 nan 8.180 nan 0.000 0.531 594 D N 1.003 121.567 120.400 0.274 0.000 2.549 594 D HA 0.122 4.776 4.640 0.023 0.000 0.251 594 D C 0.749 177.066 176.300 0.028 0.000 1.153 594 D CA -0.456 53.595 54.000 0.085 0.000 0.861 594 D CB 1.929 42.734 40.800 0.008 0.000 1.207 594 D HN 0.322 nan 8.370 nan 0.000 0.543 595 Q N 3.567 123.240 119.800 -0.211 0.000 2.170 595 Q HA -0.084 4.269 4.340 0.023 0.000 0.203 595 Q C 1.666 177.353 176.000 -0.523 0.000 0.976 595 Q CA 2.099 57.603 55.803 -0.498 0.000 0.858 595 Q CB -0.272 27.685 28.738 -1.301 0.000 0.907 595 Q HN 0.608 nan 8.270 nan 0.000 0.433 596 A N 0.502 123.047 122.820 -0.458 0.000 2.024 596 A HA -0.233 4.101 4.320 0.023 0.000 0.220 596 A C 2.020 179.538 177.584 -0.109 0.000 1.164 596 A CA 1.738 53.727 52.037 -0.081 0.000 0.643 596 A CB -0.627 18.454 19.000 0.135 0.000 0.806 596 A HN 0.422 nan 8.150 nan 0.000 0.451 597 K N -1.697 118.526 120.400 -0.296 0.000 2.283 597 K HA -0.121 4.213 4.320 0.023 0.000 0.202 597 K C 0.629 176.832 176.600 -0.661 0.000 1.048 597 K CA 1.408 57.368 56.287 -0.546 0.000 0.948 597 K CB -0.129 31.860 32.500 -0.853 0.000 0.742 597 K HN 0.676 nan 8.250 nan 0.000 0.458 598 Y N -1.135 119.143 120.300 -0.037 0.000 2.500 598 Y HA 0.398 4.962 4.550 0.023 0.000 0.246 598 Y C 0.413 176.324 175.900 0.017 0.000 1.146 598 Y CA -0.600 57.485 58.100 -0.026 0.000 1.230 598 Y CB 0.598 39.017 38.460 -0.067 0.000 1.214 598 Y HN -0.036 nan 8.280 nan 0.000 0.526 599 A N 0.770 123.683 122.820 0.155 0.000 2.269 599 A HA 0.648 4.982 4.320 0.023 0.000 0.319 599 A C -0.231 177.501 177.584 0.247 0.000 1.110 599 A CA -0.663 51.526 52.037 0.253 0.000 0.847 599 A CB 0.455 19.688 19.000 0.387 0.000 1.161 599 A HN 0.253 nan 8.150 nan 0.000 0.497 600 L N 1.053 122.451 121.223 0.291 0.000 2.467 600 L HA 0.140 4.494 4.340 0.023 0.000 0.270 600 L C 1.100 178.103 176.870 0.221 0.000 1.205 600 L CA -0.285 54.689 54.840 0.223 0.000 0.828 600 L CB 0.417 42.611 42.059 0.224 0.000 1.101 600 L HN 0.780 nan 8.230 nan 0.000 0.479 601 S N 0.687 116.474 115.700 0.147 0.000 2.572 601 S HA 0.147 4.631 4.470 0.023 0.000 0.262 601 S C 0.102 174.778 174.600 0.127 0.000 1.375 601 S CA 0.061 58.337 58.200 0.126 0.000 0.996 601 S CB 0.385 63.633 63.200 0.079 0.000 0.892 601 S HN 0.873 nan 8.310 nan 0.000 0.562 602 T N 0.000 114.615 114.554 0.101 0.000 3.816 602 T HA 0.000 4.364 4.350 0.023 0.000 0.228 602 T CA 0.000 62.140 62.100 0.066 0.000 1.349 602 T CB 0.000 68.891 68.868 0.038 0.000 0.612 602 T HN 0.000 nan 8.240 nan 0.000 0.658