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 3hn3_1_B DATA FIRST_RESID 22 DATA SEQUENCE GLQGGMLYPQ ESPSRECKEL DGLWSFRADF SDNRRRGFEE QWYRRPLWES DATA SEQUENCE GPTVDMPVPS SFNDISQDWR LRHFVGWVWY EREVILPERW TQDLRTRVVL DATA SEQUENCE RIGSAHSYAI VWVNGVDTLE HEGGYLPFEA DISNLVQVGX XXSRLRITIA DATA SEQUENCE INNTLTPTTL PPGTIQYLTD TSKYPKGYFV QNTYFDFFNY AGLQRSVLLY DATA SEQUENCE TTPTTYIDDI TVTTSVEQDS GLVNYQISVK GSNLFKLEVR LLDAENKVVA DATA SEQUENCE NGTGTQGQLK VPGVSLWWPY LMHERPAYLY SLEVQLTAQT SLGPVSDFYT DATA SEQUENCE LPVGIRTVAV TKSQFLINGK PFYFHGVNKH EDADIRGKGF DWPLLVKDFN DATA SEQUENCE LLRWLGANAF RTSHYPYAEE VMQMCDRYGI VVIDECPGVG LALPQFFNNV DATA SEQUENCE SLHHHMQVME EVVRRDKNHP AVVMWSVANE PASHLESAGY YLKMVIAHTK DATA SEQUENCE SLDPSRPVTF VSNSNYAADK GAPYVDVICL NSYYSWYHDY GHLELIQLQL DATA SEQUENCE ATQFENWYKK YQKPIIQSEY GAETIAGFHQ DPPLMFTEEY QKSLLEQYHL DATA SEQUENCE GLDQKRRKYV VGELIWNFAD FMTEQSPTRV LGNKKGIFTR QRQPKSAAFL DATA SEQUENCE LRERYWKIAN ET 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 22 G HA2 0.000 nan 3.960 nan 0.000 0.244 22 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 22 G C 0.000 174.897 174.900 -0.005 0.000 0.946 22 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 23 L N 0.931 122.153 121.223 -0.002 0.000 2.131 23 L HA 0.457 4.797 4.340 0.000 0.000 0.210 23 L C 1.873 178.745 176.870 0.003 0.000 1.092 23 L CA 2.737 57.575 54.840 -0.002 0.000 0.759 23 L CB -1.376 40.686 42.059 0.005 0.000 0.903 23 L HN 0.460 nan 8.230 nan 0.000 0.435 24 Q N 0.822 120.630 119.800 0.013 0.000 2.780 24 Q HA 0.448 4.788 4.340 0.000 0.000 0.234 24 Q C 0.646 176.660 176.000 0.023 0.000 1.355 24 Q CA 0.813 56.627 55.803 0.019 0.000 0.919 24 Q CB -1.130 27.625 28.738 0.028 0.000 1.645 24 Q HN 1.206 nan 8.270 nan 0.000 0.568 25 G N 1.152 109.959 108.800 0.012 0.000 2.782 25 G HA2 -0.102 3.858 3.960 0.000 0.000 0.228 25 G HA3 -0.102 3.858 3.960 0.000 0.000 0.228 25 G C 0.151 175.058 174.900 0.011 0.000 1.372 25 G CA -0.722 44.386 45.100 0.013 0.000 0.862 25 G HN 0.902 nan 8.290 nan 0.000 0.547 26 G N -1.963 106.844 108.800 0.012 0.000 2.547 26 G HA2 0.688 4.648 3.960 0.000 0.000 0.291 26 G HA3 0.688 4.648 3.960 0.000 0.000 0.291 26 G C 0.071 174.980 174.900 0.016 0.000 1.211 26 G CA 0.246 45.344 45.100 -0.004 0.000 0.950 26 G HN 1.484 nan 8.290 nan 0.000 0.504 27 M N 0.705 120.306 119.600 0.001 0.000 4.012 27 M HA 0.369 4.849 4.480 0.000 0.000 0.458 27 M C -0.799 175.503 176.300 0.003 0.000 2.038 27 M CA -0.271 55.041 55.300 0.020 0.000 0.479 27 M CB 0.218 32.842 32.600 0.041 0.000 1.517 27 M HN 0.284 nan 8.290 nan 0.000 0.525 28 L N 1.521 122.708 121.223 -0.059 0.000 2.426 28 L HA 0.209 4.549 4.340 0.000 0.000 0.271 28 L C -0.148 176.732 176.870 0.017 0.000 1.169 28 L CA -0.500 54.289 54.840 -0.085 0.000 0.836 28 L CB 0.283 42.099 42.059 -0.405 0.000 1.112 28 L HN 0.409 nan 8.230 nan 0.000 0.465 29 Y N 5.239 125.557 120.300 0.031 0.000 2.569 29 Y HA 0.124 4.674 4.550 0.000 0.000 0.332 29 Y C -1.949 173.952 175.900 0.002 0.000 1.120 29 Y CA -2.158 55.952 58.100 0.018 0.000 1.416 29 Y CB 0.208 38.703 38.460 0.058 0.000 1.210 29 Y HN 0.344 nan 8.280 nan 0.000 0.528 30 P HA 0.075 nan 4.420 nan 0.000 0.268 30 P C -1.547 175.448 177.300 -0.508 0.000 1.205 30 P CA 0.082 62.744 63.100 -0.730 0.000 0.771 30 P CB 0.503 31.616 31.700 -0.977 0.000 0.858 31 Q N -0.029 119.605 119.800 -0.277 0.000 2.418 31 Q HA 0.559 4.899 4.340 0.000 0.000 0.282 31 Q C -1.172 174.756 176.000 -0.119 0.000 1.044 31 Q CA -1.109 54.586 55.803 -0.179 0.000 0.813 31 Q CB 1.463 30.071 28.738 -0.217 0.000 1.428 31 Q HN 0.166 nan 8.270 nan 0.000 0.402 32 E N 1.043 121.199 120.200 -0.074 0.000 2.366 32 E HA 0.476 4.826 4.350 0.000 0.000 0.266 32 E C -0.694 175.877 176.600 -0.047 0.000 1.051 32 E CA 0.209 56.590 56.400 -0.031 0.000 0.884 32 E CB 1.305 30.998 29.700 -0.011 0.000 1.006 32 E HN 0.654 nan 8.360 nan 0.000 0.417 33 S N 0.962 116.654 115.700 -0.013 0.000 2.656 33 S HA 0.431 4.901 4.470 0.000 0.000 0.273 33 S C -2.302 172.289 174.600 -0.015 0.000 1.168 33 S CA -1.303 56.883 58.200 -0.023 0.000 0.817 33 S CB 1.131 64.358 63.200 0.044 0.000 1.146 33 S HN 0.154 nan 8.310 nan 0.000 0.475 34 P HA -0.089 nan 4.420 nan 0.000 0.218 34 P C 1.113 178.462 177.300 0.082 0.000 1.146 34 P CA 1.907 64.947 63.100 -0.101 0.000 0.820 34 P CB -0.078 31.359 31.700 -0.439 0.000 0.778 35 S N -3.178 112.646 115.700 0.207 0.000 2.539 35 S HA 0.244 4.714 4.470 0.000 0.000 0.221 35 S C 0.599 175.262 174.600 0.105 0.000 0.987 35 S CA -0.494 57.821 58.200 0.190 0.000 0.929 35 S CB 0.059 63.414 63.200 0.258 0.000 0.832 35 S HN 0.003 nan 8.310 nan 0.000 0.492 36 R N 0.783 121.335 120.500 0.086 0.000 2.621 36 R HA 0.546 4.886 4.340 0.000 0.000 0.284 36 R C -1.271 175.061 176.300 0.052 0.000 0.998 36 R CA -0.447 55.688 56.100 0.058 0.000 0.895 36 R CB 1.851 32.199 30.300 0.081 0.000 1.195 36 R HN 0.320 nan 8.270 nan 0.000 0.450 37 E N 1.342 121.571 120.200 0.049 0.000 2.235 37 E HA 0.525 4.875 4.350 0.000 0.000 0.265 37 E C -0.853 175.836 176.600 0.149 0.000 0.940 37 E CA -0.847 55.630 56.400 0.129 0.000 0.819 37 E CB 2.128 31.991 29.700 0.271 0.000 1.206 37 E HN 0.454 nan 8.360 nan 0.000 0.409 38 C N 1.217 120.627 119.300 0.182 0.000 2.626 38 C HA 0.542 5.002 4.460 0.000 0.000 0.310 38 C C -0.506 174.628 174.990 0.240 0.000 1.191 38 C CA -0.873 58.261 59.018 0.194 0.000 1.517 38 C CB 1.021 28.806 27.740 0.074 0.000 2.102 38 C HN 0.711 nan 8.230 nan 0.000 0.479 39 K N 1.891 122.458 120.400 0.277 0.000 2.579 39 K HA 0.428 4.748 4.320 0.000 0.000 0.250 39 K C -0.816 175.886 176.600 0.171 0.000 0.952 39 K CA -0.094 56.318 56.287 0.209 0.000 0.857 39 K CB 0.783 33.411 32.500 0.213 0.000 1.123 39 K HN 0.747 nan 8.250 nan 0.000 0.433 40 E N 3.262 123.545 120.200 0.138 0.000 2.360 40 E HA 0.096 4.446 4.350 0.000 0.000 0.269 40 E C -0.232 176.463 176.600 0.158 0.000 1.022 40 E CA 0.022 56.509 56.400 0.145 0.000 0.887 40 E CB 0.792 30.579 29.700 0.146 0.000 0.990 40 E HN 0.466 nan 8.360 nan 0.000 0.426 41 L N 3.094 124.442 121.223 0.209 0.000 3.084 41 L HA 0.258 4.598 4.340 0.000 0.000 0.238 41 L C -0.457 176.657 176.870 0.407 0.000 1.327 41 L CA -0.499 54.505 54.840 0.273 0.000 1.094 41 L CB -0.167 42.098 42.059 0.343 0.000 1.477 41 L HN 0.395 nan 8.230 nan 0.000 0.514 42 D N 0.651 121.223 120.400 0.287 0.000 2.354 42 D HA 0.640 5.280 4.640 0.000 0.000 0.247 42 D C 0.844 177.317 176.300 0.288 0.000 1.138 42 D CA 0.690 54.861 54.000 0.285 0.000 0.958 42 D CB 1.744 42.672 40.800 0.213 0.000 1.144 42 D HN 0.315 nan 8.370 nan 0.000 0.458 43 G N -0.674 108.297 108.800 0.285 0.000 2.408 43 G HA2 -0.127 3.833 3.960 0.000 0.000 0.204 43 G HA3 -0.127 3.833 3.960 0.000 0.000 0.204 43 G C -1.085 174.021 174.900 0.343 0.000 1.186 43 G CA -0.780 44.468 45.100 0.247 0.000 1.139 43 G HN 0.439 nan 8.290 nan 0.000 0.563 44 L N -0.027 121.361 121.223 0.275 0.000 2.305 44 L HA 0.606 4.946 4.340 0.000 0.000 0.281 44 L C -0.349 176.759 176.870 0.397 0.000 1.085 44 L CA -0.389 54.633 54.840 0.302 0.000 0.813 44 L CB 0.799 42.961 42.059 0.171 0.000 1.157 44 L HN 0.513 nan 8.230 nan 0.000 0.436 45 W N 1.156 122.573 121.300 0.194 0.000 2.719 45 W HA 0.446 5.106 4.660 0.000 0.000 0.352 45 W C 0.104 176.759 176.519 0.228 0.000 1.085 45 W CA -0.449 57.045 57.345 0.250 0.000 1.187 45 W CB 1.675 31.379 29.460 0.406 0.000 1.417 45 W HN 0.285 nan 8.180 nan 0.000 0.557 46 S N 1.801 117.757 115.700 0.425 0.000 2.584 46 S HA 0.581 5.051 4.470 0.000 0.000 0.273 46 S C -1.204 173.614 174.600 0.363 0.000 1.311 46 S CA -0.202 58.185 58.200 0.312 0.000 1.034 46 S CB 0.349 63.683 63.200 0.225 0.000 0.939 46 S HN 0.289 nan 8.310 nan 0.000 0.513 47 F N 1.967 121.942 119.950 0.042 0.000 2.608 47 F HA 0.637 5.164 4.527 0.000 0.000 0.309 47 F C -0.647 175.099 175.800 -0.091 0.000 1.103 47 F CA -0.703 57.230 58.000 -0.112 0.000 0.954 47 F CB 1.319 40.157 39.000 -0.269 0.000 1.267 47 F HN 0.522 nan 8.300 nan 0.000 0.444 48 R N 4.333 124.387 120.500 -0.743 0.000 2.535 48 R HA 0.771 5.111 4.340 0.000 0.000 0.274 48 R C -1.833 173.985 176.300 -0.802 0.000 1.090 48 R CA -0.699 55.056 56.100 -0.575 0.000 0.930 48 R CB 1.774 31.864 30.300 -0.350 0.000 1.223 48 R HN 0.892 nan 8.270 nan 0.000 0.441 49 A N 2.505 124.872 122.820 -0.755 0.000 2.327 49 A HA 0.219 4.539 4.320 0.000 0.000 0.283 49 A C -0.620 176.662 177.584 -0.502 0.000 1.127 49 A CA -0.418 51.062 52.037 -0.929 0.000 0.810 49 A CB 0.940 18.906 19.000 -1.724 0.000 1.066 49 A HN 0.698 nan 8.150 nan 0.000 0.492 50 D N 2.047 122.374 120.400 -0.121 0.000 2.441 50 D HA 0.305 4.945 4.640 0.000 0.000 0.221 50 D C -0.458 175.990 176.300 0.246 0.000 1.156 50 D CA -0.220 53.925 54.000 0.242 0.000 0.896 50 D CB -0.274 40.766 40.800 0.399 0.000 1.028 50 D HN 0.318 nan 8.370 nan 0.000 0.509 51 F N 1.348 121.489 119.950 0.318 0.000 2.731 51 F HA 0.055 4.582 4.527 0.000 0.000 0.304 51 F C 1.432 177.410 175.800 0.297 0.000 1.133 51 F CA -0.348 57.873 58.000 0.367 0.000 1.380 51 F CB -0.370 38.771 39.000 0.236 0.000 1.079 51 F HN 0.178 nan 8.300 nan 0.000 0.550 52 S N -0.542 115.394 115.700 0.393 0.000 2.558 52 S HA -0.078 4.392 4.470 0.000 0.000 0.288 52 S C 1.156 175.921 174.600 0.276 0.000 1.318 52 S CA -0.589 57.780 58.200 0.282 0.000 1.056 52 S CB 0.762 64.083 63.200 0.202 0.000 0.853 52 S HN 0.212 nan 8.310 nan 0.000 0.505 53 D N 2.188 122.723 120.400 0.226 0.000 2.123 53 D HA -0.152 4.488 4.640 0.000 0.000 0.196 53 D C 1.604 178.014 176.300 0.183 0.000 0.992 53 D CA 1.790 55.922 54.000 0.219 0.000 0.833 53 D CB -0.411 40.491 40.800 0.169 0.000 0.954 53 D HN 0.889 nan 8.370 nan 0.000 0.455 54 N N 0.146 118.931 118.700 0.141 0.000 2.398 54 N HA -0.080 4.660 4.740 0.000 0.000 0.188 54 N C 0.189 175.788 175.510 0.148 0.000 1.122 54 N CA 0.079 53.192 53.050 0.105 0.000 0.866 54 N CB 0.107 38.632 38.487 0.064 0.000 0.970 54 N HN -0.134 nan 8.380 nan 0.000 0.462 55 R N -0.811 119.816 120.500 0.211 0.000 3.946 55 R HA -0.198 4.142 4.340 0.000 0.000 0.329 55 R C 0.372 176.891 176.300 0.367 0.000 1.209 55 R CA 0.886 57.168 56.100 0.304 0.000 0.909 55 R CB -2.224 28.237 30.300 0.268 0.000 1.355 55 R HN 0.520 nan 8.270 nan 0.000 0.539 56 R N 0.034 120.668 120.500 0.224 0.000 2.509 56 R HA 0.214 4.554 4.340 0.000 0.000 0.297 56 R C 1.888 178.205 176.300 0.027 0.000 0.951 56 R CA 0.132 56.352 56.100 0.200 0.000 1.103 56 R CB 0.306 30.685 30.300 0.130 0.000 1.283 56 R HN 0.179 nan 8.270 nan 0.000 0.534 57 R N -0.133 120.320 120.500 -0.079 0.000 2.103 57 R HA -0.112 4.228 4.340 0.000 0.000 0.242 57 R C 1.708 177.546 176.300 -0.770 0.000 1.142 57 R CA 2.048 58.003 56.100 -0.243 0.000 0.960 57 R CB -0.417 29.842 30.300 -0.069 0.000 0.858 57 R HN 0.287 nan 8.270 nan 0.000 0.439 58 G N -0.515 107.437 108.800 -1.412 0.000 2.432 58 G HA2 -0.218 3.742 3.960 0.000 0.000 0.219 58 G HA3 -0.218 3.742 3.960 0.000 0.000 0.219 58 G C 1.028 175.065 174.900 -1.439 0.000 1.135 58 G CA 0.517 43.962 45.100 -2.757 0.000 0.767 58 G HN 0.290 nan 8.290 nan 0.000 0.550 59 F N 0.793 120.453 119.950 -0.483 0.000 2.149 59 F HA 0.154 4.681 4.527 -0.000 0.000 0.294 59 F C 2.683 178.361 175.800 -0.204 0.000 1.095 59 F CA 1.136 59.038 58.000 -0.163 0.000 1.276 59 F CB -0.351 38.595 39.000 -0.090 0.000 1.023 59 F HN 0.142 nan 8.300 nan 0.000 0.480 60 E N 0.306 120.469 120.200 -0.062 0.000 2.097 60 E HA -0.237 4.113 4.350 0.000 0.000 0.196 60 E C 1.598 178.110 176.600 -0.147 0.000 1.000 60 E CA 1.696 58.050 56.400 -0.077 0.000 0.804 60 E CB -0.309 29.350 29.700 -0.069 0.000 0.740 60 E HN 0.531 nan 8.360 nan 0.000 0.454 61 E N 0.226 120.254 120.200 -0.286 0.000 2.489 61 E HA -0.018 4.332 4.350 0.000 0.000 0.193 61 E C -0.430 175.975 176.600 -0.325 0.000 1.057 61 E CA -0.087 56.170 56.400 -0.238 0.000 0.866 61 E CB 0.236 29.872 29.700 -0.106 0.000 0.916 61 E HN 0.207 nan 8.360 nan 0.000 0.500 62 Q N -0.770 118.740 119.800 -0.483 0.000 2.452 62 Q HA -0.208 4.133 4.340 0.000 0.000 0.318 62 Q C -0.088 175.343 176.000 -0.948 0.000 1.386 62 Q CA 0.125 55.429 55.803 -0.832 0.000 0.872 62 Q CB -1.424 26.954 28.738 -0.599 0.000 1.151 62 Q HN 0.482 nan 8.270 nan 0.000 0.417 63 W N -0.381 120.339 121.300 -0.965 0.000 2.325 63 W HA -0.225 4.435 4.660 -0.000 0.000 0.299 63 W C 2.047 178.114 176.519 -0.752 0.000 1.215 63 W CA 1.793 58.623 57.345 -0.858 0.000 1.244 63 W CB -1.313 27.494 29.460 -1.089 0.000 1.140 63 W HN 0.736 nan 8.180 nan 0.000 0.523 64 Y N -0.175 119.883 120.300 -0.402 0.000 2.384 64 Y HA -0.035 4.515 4.550 0.000 0.000 0.289 64 Y C 2.085 177.801 175.900 -0.307 0.000 1.152 64 Y CA 0.941 58.743 58.100 -0.495 0.000 1.258 64 Y CB -1.332 36.269 38.460 -1.431 0.000 0.979 64 Y HN -0.246 nan 8.280 nan 0.000 0.549 65 R N 0.781 120.986 120.500 -0.493 0.000 2.235 65 R HA 0.119 4.459 4.340 0.000 0.000 0.213 65 R C 0.123 176.325 176.300 -0.164 0.000 1.059 65 R CA 0.501 56.471 56.100 -0.217 0.000 0.997 65 R CB -0.179 29.963 30.300 -0.263 0.000 0.884 65 R HN 0.322 nan 8.270 nan 0.000 0.462 66 R N -0.222 120.143 120.500 -0.225 0.000 2.867 66 R HA 0.431 4.771 4.340 0.000 0.000 0.268 66 R C -2.637 173.517 176.300 -0.243 0.000 1.014 66 R CA -2.912 53.051 56.100 -0.228 0.000 0.946 66 R CB 0.451 30.567 30.300 -0.306 0.000 1.208 66 R HN -0.212 nan 8.270 nan 0.000 0.477 67 P HA -0.045 nan 4.420 nan 0.000 0.264 67 P C 0.968 178.034 177.300 -0.391 0.000 1.183 67 P CA -0.079 62.884 63.100 -0.228 0.000 0.763 67 P CB 0.479 32.076 31.700 -0.173 0.000 0.807 68 L N 5.250 126.362 121.223 -0.186 0.000 2.081 68 L HA -0.147 4.194 4.340 0.000 0.000 0.212 68 L C 1.916 178.589 176.870 -0.329 0.000 1.080 68 L CA 1.679 56.374 54.840 -0.242 0.000 0.754 68 L CB -1.199 40.828 42.059 -0.054 0.000 0.893 68 L HN 0.592 nan 8.230 nan 0.000 0.433 69 W N -0.584 120.604 121.300 -0.187 0.000 2.392 69 W HA -0.145 4.515 4.660 0.000 0.000 0.279 69 W C 1.559 177.950 176.519 -0.215 0.000 1.225 69 W CA 0.894 58.126 57.345 -0.188 0.000 1.233 69 W CB -1.020 28.371 29.460 -0.114 0.000 1.122 69 W HN 0.292 nan 8.180 nan 0.000 0.561 70 E N 1.313 120.867 120.200 -1.076 0.000 2.153 70 E HA -0.170 4.180 4.350 0.000 0.000 0.194 70 E C 2.208 178.483 176.600 -0.541 0.000 0.988 70 E CA 2.061 57.865 56.400 -0.994 0.000 0.811 70 E CB -0.226 28.849 29.700 -1.041 0.000 0.746 70 E HN 0.310 nan 8.360 nan 0.000 0.466 71 S N -0.537 114.809 115.700 -0.590 0.000 2.605 71 S HA 0.347 4.817 4.470 0.000 0.000 0.217 71 S C 0.615 174.860 174.600 -0.591 0.000 0.958 71 S CA 0.007 57.828 58.200 -0.633 0.000 0.919 71 S CB 0.938 63.517 63.200 -1.034 0.000 0.780 71 S HN 0.310 nan 8.310 nan 0.000 0.507 72 G N 0.837 109.389 108.800 -0.413 0.000 2.369 72 G HA2 0.308 4.268 3.960 0.000 0.000 0.295 72 G HA3 0.308 4.268 3.960 0.000 0.000 0.295 72 G C -3.515 171.274 174.900 -0.186 0.000 1.298 72 G CA -1.099 43.835 45.100 -0.277 0.000 0.940 72 G HN 0.096 nan 8.290 nan 0.000 0.536 73 P HA 0.361 nan 4.420 nan 0.000 0.267 73 P C 0.267 177.521 177.300 -0.077 0.000 1.200 73 P CA 0.516 63.581 63.100 -0.059 0.000 0.772 73 P CB 0.777 32.454 31.700 -0.037 0.000 0.855 74 T N -1.221 113.324 114.554 -0.015 0.000 2.887 74 T HA 0.756 5.106 4.350 0.000 0.000 0.292 74 T C -0.233 174.507 174.700 0.067 0.000 1.087 74 T CA -0.789 61.320 62.100 0.014 0.000 1.009 74 T CB 1.237 70.131 68.868 0.043 0.000 1.203 74 T HN 0.276 nan 8.240 nan 0.000 0.518 75 V N -2.071 117.921 119.914 0.129 0.000 3.141 75 V HA 0.693 4.813 4.120 0.000 0.000 0.312 75 V C -1.197 174.988 176.094 0.151 0.000 1.157 75 V CA -1.226 61.150 62.300 0.127 0.000 1.041 75 V CB 1.768 33.673 31.823 0.136 0.000 1.071 75 V HN 0.897 nan 8.190 nan 0.000 0.441 76 D N 2.049 122.516 120.400 0.111 0.000 2.350 76 D HA 0.533 5.173 4.640 0.000 0.000 0.249 76 D C -0.503 175.848 176.300 0.085 0.000 1.119 76 D CA 0.360 54.433 54.000 0.123 0.000 0.886 76 D CB 1.466 42.324 40.800 0.095 0.000 1.195 76 D HN 0.607 nan 8.370 nan 0.000 0.437 77 M N 3.828 123.502 119.600 0.125 0.000 2.259 77 M HA 0.335 4.815 4.480 0.000 0.000 0.304 77 M C -2.737 173.676 176.300 0.189 0.000 1.019 77 M CA -2.474 52.846 55.300 0.032 0.000 0.922 77 M CB 2.515 34.993 32.600 -0.202 0.000 1.600 77 M HN -0.015 nan 8.290 nan 0.000 0.433 78 P HA 0.282 nan 4.420 nan 0.000 0.275 78 P C -1.270 176.116 177.300 0.143 0.000 1.227 78 P CA -0.257 62.938 63.100 0.157 0.000 0.781 78 P CB 0.810 32.568 31.700 0.097 0.000 0.906 79 V N 4.834 124.831 119.914 0.139 0.000 2.638 79 V HA 0.371 4.491 4.120 0.000 0.000 0.306 79 V C -2.241 173.896 176.094 0.072 0.000 1.052 79 V CA -2.059 60.242 62.300 0.000 0.000 0.885 79 V CB 2.269 33.901 31.823 -0.319 0.000 0.999 79 V HN 0.549 nan 8.190 nan 0.000 0.424 80 P HA 0.461 nan 4.420 nan 0.000 0.279 80 P C -0.648 176.650 177.300 -0.003 0.000 1.239 80 P CA -0.076 63.014 63.100 -0.017 0.000 0.789 80 P CB 1.775 33.487 31.700 0.021 0.000 0.933 81 S N 1.286 116.971 115.700 -0.025 0.000 2.622 81 S HA 0.334 4.804 4.470 0.000 0.000 0.275 81 S C -0.969 173.621 174.600 -0.017 0.000 1.112 81 S CA -0.540 57.646 58.200 -0.024 0.000 0.837 81 S CB 0.463 63.668 63.200 0.009 0.000 1.082 81 S HN 0.325 nan 8.310 nan 0.000 0.456 82 S N 2.108 117.763 115.700 -0.074 0.000 2.580 82 S HA 0.347 4.817 4.470 0.000 0.000 0.274 82 S C 0.855 175.460 174.600 0.008 0.000 1.329 82 S CA -0.235 57.920 58.200 -0.075 0.000 1.036 82 S CB 0.179 63.266 63.200 -0.187 0.000 0.919 82 S HN 0.690 nan 8.310 nan 0.000 0.515 83 F N 1.337 121.362 119.950 0.125 0.000 2.743 83 F HA 0.249 4.776 4.527 0.000 0.000 0.297 83 F C 1.056 176.902 175.800 0.076 0.000 1.131 83 F CA 0.003 57.996 58.000 -0.012 0.000 1.426 83 F CB -1.088 37.801 39.000 -0.185 0.000 1.116 83 F HN 0.380 nan 8.300 nan 0.000 0.583 84 N N 0.726 119.479 118.700 0.088 0.000 2.188 84 N HA -0.122 4.618 4.740 0.000 0.000 0.184 84 N C 0.701 176.349 175.510 0.230 0.000 1.018 84 N CA 1.501 54.705 53.050 0.256 0.000 0.858 84 N CB -0.288 38.371 38.487 0.286 0.000 0.989 84 N HN 0.254 nan 8.380 nan 0.000 0.426 85 D N -0.513 120.001 120.400 0.191 0.000 2.363 85 D HA 0.137 4.777 4.640 0.000 0.000 0.214 85 D C 1.137 177.482 176.300 0.074 0.000 1.093 85 D CA -0.048 54.019 54.000 0.111 0.000 0.837 85 D CB 0.346 41.209 40.800 0.106 0.000 0.948 85 D HN 0.161 nan 8.370 nan 0.000 0.507 86 I N 0.469 121.090 120.570 0.086 0.000 2.500 86 I HA -0.060 4.110 4.170 0.000 0.000 0.252 86 I C 1.462 177.613 176.117 0.057 0.000 1.142 86 I CA 0.764 62.096 61.300 0.053 0.000 1.451 86 I CB -0.653 37.365 38.000 0.030 0.000 1.093 86 I HN -0.073 nan 8.210 nan 0.000 0.430 87 S N 0.439 116.189 115.700 0.084 0.000 2.786 87 S HA 0.370 4.840 4.470 0.000 0.000 0.307 87 S C 0.319 174.980 174.600 0.101 0.000 1.121 87 S CA -0.573 57.682 58.200 0.092 0.000 0.975 87 S CB 1.943 65.210 63.200 0.113 0.000 1.220 87 S HN 0.114 nan 8.310 nan 0.000 0.550 88 Q N 0.996 120.868 119.800 0.120 0.000 2.225 88 Q HA 0.362 4.702 4.340 0.000 0.000 0.259 88 Q C -1.070 175.087 176.000 0.263 0.000 0.872 88 Q CA -0.040 55.850 55.803 0.146 0.000 1.042 88 Q CB -0.293 28.527 28.738 0.137 0.000 1.142 88 Q HN 0.669 nan 8.270 nan 0.000 0.463 89 D N -0.581 119.974 120.400 0.258 0.000 2.412 89 D HA 0.072 4.712 4.640 0.000 0.000 0.224 89 D C 0.240 176.783 176.300 0.405 0.000 1.093 89 D CA -0.534 53.663 54.000 0.330 0.000 0.850 89 D CB 0.416 41.355 40.800 0.232 0.000 1.046 89 D HN -0.043 nan 8.370 nan 0.000 0.507 90 W N 3.427 124.801 121.300 0.123 0.000 2.338 90 W HA -0.095 4.565 4.660 0.000 0.000 0.304 90 W C 2.048 178.717 176.519 0.250 0.000 1.212 90 W CA 0.463 57.909 57.345 0.169 0.000 1.264 90 W CB -0.572 28.972 29.460 0.141 0.000 1.142 90 W HN 0.454 nan 8.180 nan 0.000 0.512 91 R N -0.554 120.217 120.500 0.453 0.000 2.193 91 R HA -0.034 4.306 4.340 0.000 0.000 0.213 91 R C 2.027 178.691 176.300 0.606 0.000 1.055 91 R CA 0.819 57.182 56.100 0.439 0.000 0.995 91 R CB -0.747 29.685 30.300 0.221 0.000 0.893 91 R HN 0.102 nan 8.270 nan 0.000 0.459 92 L N 1.053 122.596 121.223 0.533 0.000 2.095 92 L HA -0.024 4.316 4.340 0.000 0.000 0.204 92 L C 2.303 179.502 176.870 0.548 0.000 1.080 92 L CA 1.605 56.779 54.840 0.556 0.000 0.759 92 L CB -0.413 41.901 42.059 0.425 0.000 0.914 92 L HN -0.020 nan 8.230 nan 0.000 0.439 93 R N -1.206 119.499 120.500 0.342 0.000 2.105 93 R HA -0.188 4.152 4.340 0.000 0.000 0.239 93 R C 1.010 177.347 176.300 0.061 0.000 1.135 93 R CA 1.947 58.117 56.100 0.117 0.000 0.967 93 R CB -0.241 29.927 30.300 -0.220 0.000 0.861 93 R HN 0.559 nan 8.270 nan 0.000 0.442 94 H N -1.683 117.631 119.070 0.406 0.000 2.505 94 H HA 0.109 4.665 4.556 0.000 0.000 0.286 94 H C -0.692 174.797 175.328 0.269 0.000 1.072 94 H CA -0.677 55.555 56.048 0.307 0.000 1.141 94 H CB 0.091 29.973 29.762 0.200 0.000 1.550 94 H HN 0.068 nan 8.280 nan 0.000 0.547 95 F N 1.989 122.135 119.950 0.328 0.000 2.572 95 F HA 0.228 4.755 4.527 0.000 0.000 0.370 95 F C -0.252 175.654 175.800 0.177 0.000 1.103 95 F CA -0.324 57.832 58.000 0.259 0.000 1.286 95 F CB 0.538 39.678 39.000 0.232 0.000 1.105 95 F HN -0.181 nan 8.300 nan 0.000 0.583 96 V N 6.300 125.758 119.914 -0.760 0.000 2.482 96 V HA 0.821 4.941 4.120 0.000 0.000 0.295 96 V C 0.141 175.729 176.094 -0.843 0.000 1.026 96 V CA 0.202 62.167 62.300 -0.559 0.000 0.856 96 V CB 0.539 32.297 31.823 -0.108 0.000 1.001 96 V HN 1.270 nan 8.190 nan 0.000 0.424 97 G N 4.019 112.397 108.800 -0.704 0.000 2.347 97 G HA2 0.050 4.010 3.960 0.000 0.000 0.224 97 G HA3 0.050 4.010 3.960 0.000 0.000 0.224 97 G C -2.033 172.806 174.900 -0.100 0.000 1.318 97 G CA -0.780 44.074 45.100 -0.411 0.000 1.016 97 G HN 0.476 nan 8.290 nan 0.000 0.469 98 W N 1.187 122.670 121.300 0.306 0.000 2.361 98 W HA 0.584 5.244 4.660 0.000 0.000 0.309 98 W C 0.635 177.378 176.519 0.373 0.000 1.122 98 W CA -0.373 57.164 57.345 0.319 0.000 1.208 98 W CB 1.748 31.409 29.460 0.334 0.000 1.246 98 W HN 0.565 nan 8.180 nan 0.000 0.490 99 V N 0.869 121.033 119.914 0.416 0.000 2.732 99 V HA 0.679 4.799 4.120 0.000 0.000 0.310 99 V C -1.418 174.726 176.094 0.082 0.000 1.053 99 V CA -1.342 61.000 62.300 0.069 0.000 0.957 99 V CB 1.331 33.034 31.823 -0.200 0.000 1.018 99 V HN 0.549 nan 8.190 nan 0.000 0.452 100 W N 2.105 123.289 121.300 -0.193 0.000 2.619 100 W HA 0.737 5.397 4.660 0.000 0.000 0.327 100 W C -1.079 175.429 176.519 -0.019 0.000 1.027 100 W CA -0.452 56.927 57.345 0.057 0.000 1.233 100 W CB 1.484 31.003 29.460 0.099 0.000 1.370 100 W HN 0.601 nan 8.180 nan 0.000 0.453 101 Y N 1.674 122.229 120.300 0.426 0.000 2.468 101 Y HA 0.516 5.066 4.550 0.000 0.000 0.342 101 Y C 0.084 176.364 175.900 0.633 0.000 1.021 101 Y CA -1.058 57.360 58.100 0.531 0.000 1.079 101 Y CB 2.316 41.029 38.460 0.423 0.000 1.226 101 Y HN 0.377 nan 8.280 nan 0.000 0.460 102 E N 2.177 122.869 120.200 0.820 0.000 2.343 102 E HA 0.582 4.932 4.350 0.000 0.000 0.278 102 E C -1.770 174.963 176.600 0.221 0.000 0.910 102 E CA -1.020 55.706 56.400 0.543 0.000 0.757 102 E CB 1.888 31.791 29.700 0.339 0.000 1.218 102 E HN 0.615 nan 8.360 nan 0.000 0.435 103 R N 2.248 122.611 120.500 -0.228 0.000 2.621 103 R HA 0.319 4.659 4.340 0.000 0.000 0.284 103 R C -1.420 174.703 176.300 -0.295 0.000 0.998 103 R CA -0.425 55.307 56.100 -0.612 0.000 0.895 103 R CB 1.495 30.749 30.300 -1.744 0.000 1.195 103 R HN 0.441 nan 8.270 nan 0.000 0.450 104 E N 2.994 123.080 120.200 -0.190 0.000 2.191 104 E HA 0.426 4.776 4.350 0.000 0.000 0.278 104 E C -0.791 175.737 176.600 -0.121 0.000 0.972 104 E CA -0.992 55.348 56.400 -0.101 0.000 0.804 104 E CB 2.225 31.904 29.700 -0.036 0.000 1.110 104 E HN 0.287 nan 8.360 nan 0.000 0.394 105 V N 3.618 123.482 119.914 -0.083 0.000 2.656 105 V HA 0.403 4.523 4.120 0.000 0.000 0.307 105 V C -0.102 175.954 176.094 -0.063 0.000 1.051 105 V CA -0.807 61.446 62.300 -0.079 0.000 0.893 105 V CB 1.811 33.597 31.823 -0.062 0.000 0.999 105 V HN 0.599 nan 8.190 nan 0.000 0.426 106 I N 4.894 125.415 120.570 -0.082 0.000 2.304 106 I HA 0.371 4.541 4.170 0.000 0.000 0.291 106 I C -0.418 175.605 176.117 -0.157 0.000 1.018 106 I CA -0.216 61.029 61.300 -0.093 0.000 1.260 106 I CB 1.091 39.041 38.000 -0.084 0.000 1.390 106 I HN 0.367 nan 8.210 nan 0.000 0.475 107 L N 7.992 129.118 121.223 -0.162 0.000 2.334 107 L HA 0.451 4.791 4.340 0.000 0.000 0.277 107 L C -2.065 174.595 176.870 -0.350 0.000 1.075 107 L CA -1.951 52.706 54.840 -0.306 0.000 0.804 107 L CB 0.519 42.504 42.059 -0.124 0.000 1.174 107 L HN 0.295 nan 8.230 nan 0.000 0.438 108 P HA -0.025 nan 4.420 nan 0.000 0.265 108 P C 0.299 177.474 177.300 -0.208 0.000 1.187 108 P CA 0.050 62.880 63.100 -0.450 0.000 0.766 108 P CB 0.490 31.763 31.700 -0.712 0.000 0.820 109 E N 2.217 122.363 120.200 -0.091 0.000 2.153 109 E HA -0.224 4.126 4.350 0.000 0.000 0.194 109 E C 1.798 178.434 176.600 0.059 0.000 0.988 109 E CA 0.908 57.303 56.400 -0.009 0.000 0.811 109 E CB -0.094 29.603 29.700 -0.006 0.000 0.746 109 E HN 0.395 nan 8.360 nan 0.000 0.466 110 R N 0.196 120.747 120.500 0.085 0.000 2.120 110 R HA -0.150 4.190 4.340 0.000 0.000 0.234 110 R C 1.760 178.236 176.300 0.293 0.000 1.123 110 R CA 1.326 57.528 56.100 0.170 0.000 0.975 110 R CB -0.087 30.325 30.300 0.187 0.000 0.866 110 R HN 0.170 nan 8.270 nan 0.000 0.446 111 W N -0.314 120.987 121.300 0.002 0.000 2.402 111 W HA -0.047 4.613 4.660 -0.000 0.000 0.286 111 W C 2.302 178.818 176.519 -0.005 0.000 1.221 111 W CA 1.666 59.008 57.345 -0.004 0.000 1.257 111 W CB -0.981 28.474 29.460 -0.008 0.000 1.120 111 W HN 0.242 nan 8.180 nan 0.000 0.551 112 T N -3.611 111.083 114.554 0.232 0.000 3.037 112 T HA 0.008 4.358 4.350 0.000 0.000 0.252 112 T C 1.457 176.210 174.700 0.089 0.000 1.073 112 T CA 0.677 62.857 62.100 0.133 0.000 1.091 112 T CB 0.093 69.019 68.868 0.096 0.000 0.935 112 T HN -0.069 nan 8.240 nan 0.000 0.488 113 Q N 0.806 120.660 119.800 0.089 0.000 2.394 113 Q HA 0.232 4.572 4.340 0.000 0.000 0.218 113 Q C 0.278 176.313 176.000 0.059 0.000 0.907 113 Q CA 0.446 56.286 55.803 0.062 0.000 0.919 113 Q CB -0.052 28.718 28.738 0.053 0.000 1.051 113 Q HN 0.478 nan 8.270 nan 0.000 0.538 114 D N 1.363 121.806 120.400 0.072 0.000 2.393 114 D HA 0.113 4.753 4.640 0.000 0.000 0.232 114 D C 0.800 177.124 176.300 0.040 0.000 1.192 114 D CA -0.060 53.974 54.000 0.056 0.000 0.882 114 D CB 0.657 41.498 40.800 0.067 0.000 1.038 114 D HN 0.065 nan 8.370 nan 0.000 0.499 115 L N 3.322 124.563 121.223 0.030 0.000 2.622 115 L HA 0.004 4.344 4.340 0.000 0.000 0.233 115 L C 2.016 178.891 176.870 0.009 0.000 1.156 115 L CA 0.383 55.234 54.840 0.019 0.000 0.866 115 L CB -0.080 41.991 42.059 0.020 0.000 0.980 115 L HN 0.172 nan 8.230 nan 0.000 0.448 116 R N -0.702 119.804 120.500 0.011 0.000 2.323 116 R HA 0.024 4.364 4.340 0.000 0.000 0.198 116 R C 0.303 176.589 176.300 -0.022 0.000 0.988 116 R CA 0.262 56.364 56.100 0.004 0.000 1.041 116 R CB -0.232 30.077 30.300 0.015 0.000 0.926 116 R HN 0.170 nan 8.270 nan 0.000 0.476 117 T N 1.367 115.896 114.554 -0.040 0.000 2.749 117 T HA 0.174 4.524 4.350 0.000 0.000 0.295 117 T C -0.121 174.493 174.700 -0.143 0.000 0.936 117 T CA -0.459 61.572 62.100 -0.114 0.000 1.060 117 T CB 1.378 70.167 68.868 -0.132 0.000 0.904 117 T HN 0.140 nan 8.240 nan 0.000 0.500 118 R N 2.983 123.364 120.500 -0.198 0.000 2.221 118 R HA 0.502 4.842 4.340 0.000 0.000 0.327 118 R C -1.251 174.827 176.300 -0.371 0.000 1.033 118 R CA -0.441 55.512 56.100 -0.244 0.000 0.887 118 R CB 0.462 30.602 30.300 -0.268 0.000 1.057 118 R HN 0.426 nan 8.270 nan 0.000 0.455 119 V N 5.790 125.504 119.914 -0.334 0.000 2.398 119 V HA 0.379 4.499 4.120 0.000 0.000 0.286 119 V C -0.418 175.446 176.094 -0.383 0.000 1.026 119 V CA -0.696 61.364 62.300 -0.399 0.000 0.868 119 V CB 1.693 33.384 31.823 -0.220 0.000 0.982 119 V HN 0.531 nan 8.190 nan 0.000 0.443 120 V N 5.799 125.376 119.914 -0.561 0.000 2.604 120 V HA 0.485 4.605 4.120 0.000 0.000 0.305 120 V C -0.533 175.319 176.094 -0.403 0.000 1.043 120 V CA -0.735 61.216 62.300 -0.582 0.000 0.888 120 V CB 1.943 33.125 31.823 -1.068 0.000 0.995 120 V HN 0.672 nan 8.190 nan 0.000 0.429 121 L N 5.212 126.312 121.223 -0.206 0.000 2.272 121 L HA 0.730 5.071 4.340 0.000 0.000 0.289 121 L C -0.294 176.522 176.870 -0.090 0.000 1.032 121 L CA -0.268 54.522 54.840 -0.084 0.000 0.810 121 L CB 1.027 43.077 42.059 -0.015 0.000 1.205 121 L HN 0.752 nan 8.230 nan 0.000 0.422 122 R N 5.767 126.239 120.500 -0.047 0.000 2.437 122 R HA 0.631 4.971 4.340 0.000 0.000 0.310 122 R C -1.587 174.588 176.300 -0.209 0.000 0.955 122 R CA -0.500 55.549 56.100 -0.085 0.000 0.851 122 R CB 0.785 31.132 30.300 0.078 0.000 1.161 122 R HN 0.569 nan 8.270 nan 0.000 0.446 123 I N 5.168 125.442 120.570 -0.493 0.000 2.330 123 I HA 0.301 4.471 4.170 0.000 0.000 0.289 123 I C 1.350 177.122 176.117 -0.574 0.000 1.001 123 I CA -0.556 60.353 61.300 -0.653 0.000 1.193 123 I CB 0.852 38.120 38.000 -1.221 0.000 1.345 123 I HN 0.972 nan 8.210 nan 0.000 0.461 124 G N 5.113 113.726 108.800 -0.312 0.000 2.422 124 G HA2 -0.037 3.924 3.960 0.000 0.000 0.218 124 G HA3 -0.037 3.924 3.960 0.000 0.000 0.218 124 G C 0.496 175.304 174.900 -0.152 0.000 1.146 124 G CA 1.021 46.008 45.100 -0.188 0.000 0.769 124 G HN 0.686 nan 8.290 nan 0.000 0.547 125 S N -2.973 112.630 115.700 -0.161 0.000 2.595 125 S HA 0.766 5.236 4.470 0.000 0.000 0.270 125 S C -0.469 174.137 174.600 0.009 0.000 1.145 125 S CA 0.124 58.295 58.200 -0.048 0.000 0.825 125 S CB 1.452 64.608 63.200 -0.074 0.000 1.107 125 S HN 1.104 nan 8.310 nan 0.000 0.461 126 A N 0.877 123.751 122.820 0.089 0.000 2.770 126 A HA 0.921 5.241 4.320 0.000 0.000 0.183 126 A C -0.060 177.524 177.584 0.000 0.000 1.077 126 A CA 0.165 52.261 52.037 0.100 0.000 1.468 126 A CB -0.277 18.878 19.000 0.258 0.000 2.037 126 A HN 1.245 nan 8.150 nan 0.000 0.730 127 H N -3.118 115.918 119.070 -0.057 0.000 3.619 127 H HA 0.371 4.927 4.556 0.000 0.000 0.314 127 H C 1.296 176.568 175.328 -0.093 0.000 1.587 127 H CA 0.271 56.253 56.048 -0.111 0.000 1.172 127 H CB 0.433 30.158 29.762 -0.063 0.000 1.730 127 H HN 0.341 nan 8.280 nan 0.000 0.780 128 S N -0.732 115.107 115.700 0.232 0.000 2.370 128 S HA -0.090 4.380 4.470 0.000 0.000 0.226 128 S C -0.304 174.304 174.600 0.013 0.000 1.033 128 S CA 1.604 59.843 58.200 0.065 0.000 1.011 128 S CB 0.001 63.227 63.200 0.044 0.000 0.852 128 S HN 0.328 nan 8.310 nan 0.000 0.457 129 Y N -0.577 119.635 120.300 -0.147 0.000 2.534 129 Y HA 0.587 5.137 4.550 0.000 0.000 0.345 129 Y C -0.992 174.889 175.900 -0.033 0.000 1.031 129 Y CA -0.986 57.032 58.100 -0.137 0.000 1.022 129 Y CB 1.532 39.898 38.460 -0.157 0.000 1.292 129 Y HN 0.030 nan 8.280 nan 0.000 0.459 130 A N 5.397 128.098 122.820 -0.198 0.000 2.455 130 A HA 0.809 5.129 4.320 0.000 0.000 0.300 130 A C -1.861 175.698 177.584 -0.041 0.000 1.040 130 A CA -0.539 51.518 52.037 0.033 0.000 0.697 130 A CB 0.928 19.931 19.000 0.006 0.000 1.265 130 A HN 0.632 nan 8.150 nan 0.000 0.407 131 I N 1.911 122.519 120.570 0.063 0.000 2.509 131 I HA 0.546 4.716 4.170 0.000 0.000 0.293 131 I C -0.859 175.000 176.117 -0.429 0.000 1.020 131 I CA -1.064 60.070 61.300 -0.277 0.000 1.088 131 I CB 2.228 39.940 38.000 -0.479 0.000 1.267 131 I HN 0.325 nan 8.210 nan 0.000 0.430 132 V N 4.839 124.489 119.914 -0.440 0.000 2.487 132 V HA 0.422 4.542 4.120 0.000 0.000 0.298 132 V C -0.802 175.110 176.094 -0.303 0.000 1.028 132 V CA -0.567 61.632 62.300 -0.169 0.000 0.860 132 V CB 1.871 33.731 31.823 0.062 0.000 0.991 132 V HN 0.596 nan 8.190 nan 0.000 0.427 133 W N 2.936 124.302 121.300 0.110 0.000 2.627 133 W HA 0.721 5.381 4.660 0.000 0.000 0.339 133 W C -0.953 175.644 176.519 0.130 0.000 1.058 133 W CA -0.739 56.664 57.345 0.097 0.000 1.223 133 W CB 2.155 31.683 29.460 0.113 0.000 1.389 133 W HN 0.262 nan 8.180 nan 0.000 0.541 134 V N 3.732 123.838 119.914 0.320 0.000 2.407 134 V HA 0.106 4.226 4.120 0.000 0.000 0.291 134 V C 0.085 176.306 176.094 0.211 0.000 1.018 134 V CA -0.889 61.547 62.300 0.227 0.000 0.842 134 V CB 1.113 33.026 31.823 0.149 0.000 0.996 134 V HN 0.674 nan 8.190 nan 0.000 0.426 135 N N 4.246 123.059 118.700 0.188 0.000 2.727 135 N HA -0.221 4.519 4.740 0.000 0.000 0.249 135 N C 1.214 176.829 175.510 0.175 0.000 1.048 135 N CA 1.569 54.708 53.050 0.150 0.000 0.714 135 N CB -1.061 37.493 38.487 0.111 0.000 0.959 135 N HN 1.507 nan 8.380 nan 0.000 0.544 136 G N -2.972 105.975 108.800 0.244 0.000 2.179 136 G HA2 -0.329 3.631 3.960 0.000 0.000 0.260 136 G HA3 -0.329 3.631 3.960 0.000 0.000 0.260 136 G C 0.012 175.150 174.900 0.397 0.000 0.977 136 G CA 0.367 45.637 45.100 0.283 0.000 0.641 136 G HN 0.519 nan 8.290 nan 0.000 0.533 137 V N 3.358 123.487 119.914 0.359 0.000 2.370 137 V HA 0.404 4.524 4.120 0.000 0.000 0.279 137 V C 0.299 176.572 176.094 0.299 0.000 1.029 137 V CA -0.684 61.800 62.300 0.307 0.000 0.870 137 V CB 1.545 33.477 31.823 0.181 0.000 0.984 137 V HN 0.476 nan 8.190 nan 0.000 0.451 138 D N 2.728 123.265 120.400 0.228 0.000 2.417 138 D HA 0.008 4.648 4.640 0.000 0.000 0.250 138 D C 0.419 176.663 176.300 -0.093 0.000 1.166 138 D CA 0.016 53.912 54.000 -0.173 0.000 0.881 138 D CB 2.203 42.808 40.800 -0.325 0.000 1.164 138 D HN 0.491 nan 8.370 nan 0.000 0.467 139 T N 1.713 116.191 114.554 -0.127 0.000 3.009 139 T HA 0.190 4.540 4.350 0.000 0.000 0.267 139 T C -0.577 174.094 174.700 -0.049 0.000 0.942 139 T CA -0.220 61.853 62.100 -0.046 0.000 0.883 139 T CB 0.040 68.912 68.868 0.008 0.000 1.192 139 T HN 0.395 nan 8.240 nan 0.000 0.524 140 L N 1.581 122.748 121.223 -0.095 0.000 2.592 140 L HA 0.628 4.968 4.340 0.000 0.000 0.258 140 L C -1.932 174.884 176.870 -0.090 0.000 0.926 140 L CA -0.331 54.492 54.840 -0.027 0.000 0.885 140 L CB 2.157 44.263 42.059 0.078 0.000 1.380 140 L HN 0.021 nan 8.230 nan 0.000 0.415 141 E N 3.097 123.234 120.200 -0.105 0.000 2.367 141 E HA 0.533 4.883 4.350 0.000 0.000 0.273 141 E C -1.769 174.585 176.600 -0.411 0.000 0.903 141 E CA -0.911 55.338 56.400 -0.251 0.000 0.764 141 E CB 2.561 32.174 29.700 -0.146 0.000 1.252 141 E HN 0.616 nan 8.360 nan 0.000 0.446 142 H N 1.272 119.791 119.070 -0.919 0.000 3.086 142 H HA 0.153 4.709 4.556 0.000 0.000 0.353 142 H C -1.634 173.123 175.328 -0.952 0.000 1.134 142 H CA -0.460 55.005 56.048 -0.972 0.000 1.248 142 H CB 2.092 30.857 29.762 -1.661 0.000 1.878 142 H HN 0.434 nan 8.280 nan 0.000 0.527 143 E N 2.687 122.210 120.200 -1.128 0.000 2.113 143 E HA 0.474 4.824 4.350 0.000 0.000 0.273 143 E C -0.240 176.038 176.600 -0.536 0.000 0.924 143 E CA 0.232 56.236 56.400 -0.661 0.000 0.764 143 E CB 0.860 30.349 29.700 -0.350 0.000 1.104 143 E HN 1.001 nan 8.360 nan 0.000 0.406 144 G N 2.336 111.004 108.800 -0.221 0.000 2.617 144 G HA2 0.110 4.070 3.960 0.000 0.000 0.686 144 G HA3 0.110 4.070 3.960 0.000 0.000 0.686 144 G C -0.041 174.886 174.900 0.045 0.000 1.214 144 G CA -0.538 44.554 45.100 -0.014 0.000 0.796 144 G HN 0.650 nan 8.290 nan 0.000 0.654 145 G N -1.088 107.670 108.800 -0.069 0.000 2.535 145 G HA2 0.711 4.671 3.960 0.000 0.000 0.303 145 G HA3 0.711 4.671 3.960 0.000 0.000 0.303 145 G C 0.362 175.198 174.900 -0.107 0.000 1.237 145 G CA 0.391 45.298 45.100 -0.321 0.000 0.986 145 G HN 1.866 nan 8.290 nan 0.000 0.494 146 Y N -3.059 117.235 120.300 -0.010 0.000 4.907 146 Y HA -0.172 4.378 4.550 0.000 0.000 0.246 146 Y C 0.345 176.289 175.900 0.073 0.000 0.968 146 Y CA 0.412 58.526 58.100 0.023 0.000 1.961 146 Y CB -2.281 36.211 38.460 0.053 0.000 1.487 146 Y HN 0.326 nan 8.280 nan 0.000 0.575 147 L N 1.247 122.562 121.223 0.154 0.000 2.422 147 L HA 0.590 4.930 4.340 0.000 0.000 0.264 147 L C -2.408 174.485 176.870 0.040 0.000 0.984 147 L CA -1.975 52.944 54.840 0.132 0.000 0.819 147 L CB 3.018 45.190 42.059 0.189 0.000 1.330 147 L HN -0.362 nan 8.230 nan 0.000 0.410 148 P HA 0.394 nan 4.420 nan 0.000 0.276 148 P C -1.402 175.889 177.300 -0.016 0.000 1.244 148 P CA -0.197 62.867 63.100 -0.059 0.000 0.801 148 P CB 0.937 32.617 31.700 -0.033 0.000 1.006 149 F N -1.866 117.935 119.950 -0.249 0.000 2.631 149 F HA 0.773 5.300 4.527 0.000 0.000 0.308 149 F C -0.841 174.905 175.800 -0.090 0.000 1.097 149 F CA -1.235 56.648 58.000 -0.195 0.000 0.952 149 F CB 1.673 40.471 39.000 -0.336 0.000 1.307 149 F HN 0.465 nan 8.300 nan 0.000 0.450 150 E N 1.602 121.835 120.200 0.055 0.000 2.430 150 E HA 0.871 5.221 4.350 0.000 0.000 0.279 150 E C -2.064 174.547 176.600 0.018 0.000 1.003 150 E CA -1.536 54.853 56.400 -0.018 0.000 0.801 150 E CB 2.282 31.975 29.700 -0.011 0.000 1.313 150 E HN 1.215 nan 8.360 nan 0.000 0.459 151 A N 1.321 124.121 122.820 -0.033 0.000 2.486 151 A HA 0.410 4.730 4.320 0.000 0.000 0.300 151 A C -1.449 176.075 177.584 -0.099 0.000 1.048 151 A CA -0.802 51.214 52.037 -0.035 0.000 0.696 151 A CB 1.778 20.776 19.000 -0.003 0.000 1.278 151 A HN 0.664 nan 8.150 nan 0.000 0.405 152 D N 2.375 122.716 120.400 -0.099 0.000 2.344 152 D HA 0.190 4.830 4.640 0.000 0.000 0.253 152 D C 0.760 177.010 176.300 -0.083 0.000 1.255 152 D CA -0.090 53.829 54.000 -0.136 0.000 0.894 152 D CB 0.322 41.054 40.800 -0.113 0.000 1.067 152 D HN 0.514 nan 8.370 nan 0.000 0.492 153 I N 0.740 121.257 120.570 -0.088 0.000 3.891 153 I HA 0.119 4.289 4.170 0.000 0.000 0.331 153 I C 1.155 177.257 176.117 -0.025 0.000 1.406 153 I CA -0.557 60.723 61.300 -0.033 0.000 1.139 153 I CB 0.219 38.216 38.000 -0.006 0.000 1.056 153 I HN -0.009 nan 8.210 nan 0.000 0.399 154 S N 3.117 118.785 115.700 -0.054 0.000 2.365 154 S HA -0.220 4.250 4.470 0.000 0.000 0.225 154 S C 1.912 176.510 174.600 -0.002 0.000 1.039 154 S CA 2.241 60.417 58.200 -0.039 0.000 1.033 154 S CB -0.621 62.542 63.200 -0.062 0.000 0.887 154 S HN 0.807 nan 8.310 nan 0.000 0.447 155 N N 2.043 120.744 118.700 0.002 0.000 2.289 155 N HA -0.091 4.649 4.740 0.000 0.000 0.184 155 N C 1.396 176.923 175.510 0.029 0.000 1.016 155 N CA 1.033 54.092 53.050 0.016 0.000 0.872 155 N CB -0.723 37.773 38.487 0.016 0.000 0.973 155 N HN 0.418 nan 8.380 nan 0.000 0.433 156 L N 0.321 121.564 121.223 0.034 0.000 2.307 156 L HA 0.092 4.432 4.340 0.000 0.000 0.211 156 L C 2.133 179.036 176.870 0.055 0.000 1.099 156 L CA 0.315 55.185 54.840 0.049 0.000 0.816 156 L CB -0.009 42.086 42.059 0.059 0.000 0.952 156 L HN 0.125 nan 8.230 nan 0.000 0.455 157 V N -4.081 115.866 119.914 0.055 0.000 3.471 157 V HA 0.026 4.146 4.120 0.000 0.000 0.258 157 V C 1.194 177.328 176.094 0.066 0.000 1.192 157 V CA 0.263 62.604 62.300 0.070 0.000 1.116 157 V CB -0.190 31.692 31.823 0.097 0.000 0.792 157 V HN 0.381 nan 8.190 nan 0.000 0.459 158 Q N 0.742 120.574 119.800 0.053 0.000 2.375 158 Q HA 0.602 4.942 4.340 0.000 0.000 0.316 158 Q C -0.567 175.457 176.000 0.039 0.000 0.927 158 Q CA 0.052 55.883 55.803 0.048 0.000 1.029 158 Q CB 1.327 30.088 28.738 0.039 0.000 1.202 158 Q HN 0.498 nan 8.270 nan 0.000 0.431 159 V N -1.188 118.750 119.914 0.041 0.000 3.120 159 V HA 0.806 4.926 4.120 0.000 0.000 0.303 159 V C -0.604 175.512 176.094 0.037 0.000 1.238 159 V CA -0.633 61.690 62.300 0.037 0.000 1.008 159 V CB 2.157 34.002 31.823 0.037 0.000 1.064 159 V HN 0.358 nan 8.190 nan 0.000 0.434 165 R N 0.305 120.812 120.500 0.011 0.000 2.580 165 R HA 0.564 4.905 4.340 0.000 0.000 0.267 165 R C -0.928 175.384 176.300 0.021 0.000 1.125 165 R CA -0.468 55.635 56.100 0.005 0.000 1.188 165 R CB 0.298 30.599 30.300 0.002 0.000 1.155 165 R HN 0.468 nan 8.270 nan 0.000 0.586 166 L N 0.985 122.218 121.223 0.017 0.000 2.305 166 L HA 0.345 4.685 4.340 0.000 0.000 0.284 166 L C -0.501 176.389 176.870 0.033 0.000 1.013 166 L CA -0.108 54.755 54.840 0.038 0.000 0.819 166 L CB 1.154 43.240 42.059 0.046 0.000 1.227 166 L HN 0.405 nan 8.230 nan 0.000 0.417 167 R N 5.871 126.410 120.500 0.064 0.000 2.246 167 R HA 0.572 4.912 4.340 0.000 0.000 0.332 167 R C -1.262 175.118 176.300 0.133 0.000 0.974 167 R CA -0.432 55.714 56.100 0.076 0.000 0.837 167 R CB 0.556 30.909 30.300 0.087 0.000 1.145 167 R HN 0.748 nan 8.270 nan 0.000 0.467 168 I N 4.078 124.723 120.570 0.124 0.000 2.321 168 I HA 0.247 4.417 4.170 0.000 0.000 0.291 168 I C -0.340 175.997 176.117 0.368 0.000 0.998 168 I CA -0.415 61.025 61.300 0.234 0.000 1.227 168 I CB 2.093 40.219 38.000 0.209 0.000 1.368 168 I HN 0.550 nan 8.210 nan 0.000 0.466 169 T N 7.193 122.035 114.554 0.480 0.000 2.807 169 T HA 0.659 5.009 4.350 0.000 0.000 0.279 169 T C -0.257 174.861 174.700 0.698 0.000 0.993 169 T CA -0.418 62.046 62.100 0.608 0.000 0.970 169 T CB 1.469 70.690 68.868 0.589 0.000 0.950 169 T HN 0.267 nan 8.240 nan 0.000 0.441 170 I N 2.163 123.113 120.570 0.634 0.000 2.478 170 I HA 0.638 4.808 4.170 0.000 0.000 0.287 170 I C -0.207 176.127 176.117 0.361 0.000 1.042 170 I CA -1.153 60.420 61.300 0.456 0.000 1.067 170 I CB 1.799 39.990 38.000 0.319 0.000 1.233 170 I HN 0.686 nan 8.210 nan 0.000 0.431 171 A N 7.862 130.793 122.820 0.185 0.000 2.288 171 A HA 0.864 5.184 4.320 0.000 0.000 0.320 171 A C -0.674 177.130 177.584 0.366 0.000 1.217 171 A CA -0.414 51.562 52.037 -0.102 0.000 0.840 171 A CB 0.647 19.155 19.000 -0.819 0.000 1.179 171 A HN 0.689 nan 8.150 nan 0.000 0.504 172 I N 2.858 123.676 120.570 0.412 0.000 2.436 172 I HA 0.275 4.445 4.170 0.000 0.000 0.289 172 I C -0.369 175.839 176.117 0.151 0.000 1.010 172 I CA -0.678 60.820 61.300 0.330 0.000 1.098 172 I CB 1.893 40.087 38.000 0.323 0.000 1.266 172 I HN 0.638 nan 8.210 nan 0.000 0.434 173 N N 5.504 124.044 118.700 -0.267 0.000 2.419 173 N HA 0.173 4.913 4.740 0.000 0.000 0.277 173 N C -0.129 175.166 175.510 -0.359 0.000 1.006 173 N CA -0.249 52.406 53.050 -0.658 0.000 0.923 173 N CB 1.226 38.899 38.487 -1.357 0.000 1.140 173 N HN 0.646 nan 8.380 nan 0.000 0.488 174 N N 1.422 119.895 118.700 -0.378 0.000 2.214 174 N HA 0.016 4.756 4.740 0.000 0.000 0.214 174 N C -0.629 174.673 175.510 -0.346 0.000 1.132 174 N CA -0.281 52.400 53.050 -0.616 0.000 0.856 174 N CB -0.081 38.017 38.487 -0.647 0.000 1.020 174 N HN 0.193 nan 8.380 nan 0.000 0.509 175 T N 1.802 116.197 114.554 -0.266 0.000 2.870 175 T HA 0.271 4.621 4.350 0.000 0.000 0.300 175 T C 0.310 174.956 174.700 -0.089 0.000 0.989 175 T CA -0.187 61.808 62.100 -0.175 0.000 1.139 175 T CB 0.906 69.651 68.868 -0.204 0.000 0.920 175 T HN 0.121 nan 8.240 nan 0.000 0.537 176 L N 3.770 124.970 121.223 -0.039 0.000 2.309 176 L HA 0.661 5.001 4.340 0.000 0.000 0.282 176 L C 0.906 177.758 176.870 -0.030 0.000 1.036 176 L CA -0.758 54.078 54.840 -0.007 0.000 0.806 176 L CB 1.490 43.586 42.059 0.062 0.000 1.220 176 L HN 0.793 nan 8.230 nan 0.000 0.429 177 T N -1.382 113.139 114.554 -0.055 0.000 2.838 177 T HA 0.434 4.784 4.350 0.000 0.000 0.292 177 T C -2.490 172.178 174.700 -0.053 0.000 1.113 177 T CA -1.822 60.260 62.100 -0.030 0.000 1.008 177 T CB 1.964 70.806 68.868 -0.042 0.000 1.259 177 T HN 0.186 nan 8.240 nan 0.000 0.520 178 P HA 0.039 nan 4.420 nan 0.000 0.229 178 P C 1.089 178.404 177.300 0.025 0.000 1.150 178 P CA 1.054 64.249 63.100 0.158 0.000 0.765 178 P CB -0.158 31.708 31.700 0.276 0.000 0.783 179 T N -6.735 107.797 114.554 -0.036 0.000 3.040 179 T HA 0.127 4.477 4.350 0.000 0.000 0.266 179 T C 0.643 175.267 174.700 -0.127 0.000 1.005 179 T CA -0.225 61.846 62.100 -0.048 0.000 0.906 179 T CB -0.815 68.030 68.868 -0.038 0.000 1.082 179 T HN 0.055 nan 8.240 nan 0.000 0.531 180 T N 0.741 115.209 114.554 -0.143 0.000 2.874 180 T HA 0.673 5.023 4.350 0.000 0.000 0.281 180 T C -0.282 174.367 174.700 -0.084 0.000 0.994 180 T CA -0.947 61.070 62.100 -0.138 0.000 1.015 180 T CB 1.217 70.030 68.868 -0.092 0.000 1.028 180 T HN 0.210 nan 8.240 nan 0.000 0.523 181 L N 2.801 124.032 121.223 0.014 0.000 2.388 181 L HA 0.398 4.738 4.340 0.000 0.000 0.267 181 L C -2.278 174.586 176.870 -0.009 0.000 0.995 181 L CA -2.242 52.584 54.840 -0.024 0.000 0.864 181 L CB 2.276 44.312 42.059 -0.038 0.000 1.216 181 L HN 0.601 nan 8.230 nan 0.000 0.430 182 P HA 0.279 nan 4.420 nan 0.000 0.274 182 P C -2.747 174.471 177.300 -0.136 0.000 1.231 182 P CA -1.490 61.511 63.100 -0.165 0.000 0.790 182 P CB 0.459 31.888 31.700 -0.452 0.000 0.951 183 P HA 0.339 nan 4.420 nan 0.000 0.276 183 P C -0.042 177.093 177.300 -0.274 0.000 1.252 183 P CA 0.196 62.991 63.100 -0.508 0.000 0.802 183 P CB 0.911 31.780 31.700 -1.385 0.000 1.035 184 G N -0.602 108.072 108.800 -0.209 0.000 2.663 184 G HA2 0.672 4.632 3.960 0.000 0.000 0.299 184 G HA3 0.672 4.632 3.960 0.000 0.000 0.299 184 G C -1.429 173.575 174.900 0.174 0.000 1.372 184 G CA -0.548 44.586 45.100 0.057 0.000 0.781 184 G HN 0.707 nan 8.290 nan 0.000 0.491 185 T N -1.960 112.717 114.554 0.206 0.000 2.909 185 T HA 0.713 5.063 4.350 0.000 0.000 0.299 185 T C -0.879 173.868 174.700 0.077 0.000 1.073 185 T CA -0.730 61.478 62.100 0.179 0.000 0.999 185 T CB 1.881 70.902 68.868 0.254 0.000 1.098 185 T HN 0.463 nan 8.240 nan 0.000 0.477 186 I N 2.679 123.278 120.570 0.048 0.000 2.377 186 I HA 0.378 4.548 4.170 0.000 0.000 0.293 186 I C -0.470 175.655 176.117 0.013 0.000 0.987 186 I CA -0.693 60.609 61.300 0.003 0.000 1.185 186 I CB 1.909 39.873 38.000 -0.060 0.000 1.341 186 I HN 0.723 nan 8.210 nan 0.000 0.455 187 Q N 6.773 126.562 119.800 -0.018 0.000 2.309 187 Q HA 0.380 4.720 4.340 0.000 0.000 0.270 187 Q C -1.387 174.593 176.000 -0.035 0.000 1.023 187 Q CA -0.704 55.108 55.803 0.014 0.000 0.758 187 Q CB 1.991 30.739 28.738 0.018 0.000 1.247 187 Q HN 0.394 nan 8.270 nan 0.000 0.455 188 Y N 1.865 122.203 120.300 0.063 0.000 2.359 188 Y HA 0.278 4.828 4.550 0.000 0.000 0.334 188 Y C 0.328 176.265 175.900 0.061 0.000 1.058 188 Y CA -0.216 57.939 58.100 0.092 0.000 1.244 188 Y CB 0.926 39.417 38.460 0.053 0.000 1.187 188 Y HN 0.422 nan 8.280 nan 0.000 0.510 189 L N 4.081 125.410 121.223 0.176 0.000 2.294 189 L HA 0.281 4.621 4.340 0.000 0.000 0.283 189 L C 0.766 177.724 176.870 0.147 0.000 1.015 189 L CA -0.370 54.492 54.840 0.038 0.000 0.831 189 L CB 1.288 43.107 42.059 -0.400 0.000 1.217 189 L HN 0.745 nan 8.230 nan 0.000 0.420 190 T N -3.339 111.311 114.554 0.161 0.000 3.086 190 T HA 0.001 4.351 4.350 0.000 0.000 0.250 190 T C 0.501 175.296 174.700 0.159 0.000 1.074 190 T CA -0.352 61.846 62.100 0.163 0.000 0.988 190 T CB -0.106 68.834 68.868 0.120 0.000 0.988 190 T HN 0.366 nan 8.240 nan 0.000 0.530 191 D N 3.343 123.861 120.400 0.197 0.000 2.359 191 D HA 0.080 4.720 4.640 0.000 0.000 0.250 191 D C 1.423 177.814 176.300 0.152 0.000 1.264 191 D CA 0.091 54.190 54.000 0.165 0.000 0.911 191 D CB 1.048 41.953 40.800 0.174 0.000 1.056 191 D HN 0.367 nan 8.370 nan 0.000 0.499 192 T N -0.389 114.223 114.554 0.098 0.000 3.118 192 T HA -0.112 4.238 4.350 0.000 0.000 0.260 192 T C 1.696 176.405 174.700 0.016 0.000 1.139 192 T CA 0.657 62.800 62.100 0.072 0.000 1.085 192 T CB -0.196 68.712 68.868 0.067 0.000 0.934 192 T HN 0.273 nan 8.240 nan 0.000 0.518 193 S N 0.915 116.612 115.700 -0.004 0.000 2.527 193 S HA 0.152 4.622 4.470 0.000 0.000 0.222 193 S C 1.667 176.195 174.600 -0.120 0.000 0.985 193 S CA -0.068 58.105 58.200 -0.045 0.000 0.921 193 S CB -0.161 63.021 63.200 -0.031 0.000 0.772 193 S HN 0.583 nan 8.310 nan 0.000 0.529 194 K N -0.971 119.315 120.400 -0.191 0.000 2.474 194 K HA 0.290 4.610 4.320 0.000 0.000 0.202 194 K C -0.920 175.205 176.600 -0.790 0.000 1.248 194 K CA 0.172 56.162 56.287 -0.496 0.000 0.946 194 K CB 0.780 32.906 32.500 -0.624 0.000 1.102 194 K HN 0.384 nan 8.250 nan 0.000 0.541 195 Y N 1.333 121.539 120.300 -0.156 0.000 2.492 195 Y HA 0.307 4.857 4.550 0.000 0.000 0.346 195 Y C -2.526 173.326 175.900 -0.080 0.000 0.997 195 Y CA -2.715 55.229 58.100 -0.261 0.000 1.025 195 Y CB 1.529 39.755 38.460 -0.390 0.000 1.263 195 Y HN -0.103 nan 8.280 nan 0.000 0.454 196 P HA 0.051 nan 4.420 nan 0.000 0.274 196 P C -0.818 176.615 177.300 0.221 0.000 1.231 196 P CA -0.614 62.579 63.100 0.155 0.000 0.790 196 P CB 1.104 32.899 31.700 0.157 0.000 0.951 197 K N 0.954 121.459 120.400 0.175 0.000 2.511 197 K HA 0.128 4.449 4.320 0.000 0.000 0.280 197 K C 1.069 177.813 176.600 0.239 0.000 1.008 197 K CA 1.081 57.479 56.287 0.185 0.000 1.050 197 K CB -0.861 31.718 32.500 0.132 0.000 0.889 197 K HN 0.807 nan 8.250 nan 0.000 0.484 198 G N 3.009 111.983 108.800 0.290 0.000 2.175 198 G HA2 -0.325 3.635 3.960 0.000 0.000 0.244 198 G HA3 -0.325 3.635 3.960 0.000 0.000 0.244 198 G C -0.195 174.989 174.900 0.475 0.000 0.982 198 G CA 0.261 45.586 45.100 0.375 0.000 0.641 198 G HN 0.761 nan 8.290 nan 0.000 0.527 199 Y N 1.286 121.737 120.300 0.251 0.000 2.717 199 Y HA 0.415 4.965 4.550 0.000 0.000 0.330 199 Y C 0.530 176.488 175.900 0.096 0.000 1.217 199 Y CA 0.753 58.928 58.100 0.124 0.000 1.506 199 Y CB -0.068 38.438 38.460 0.078 0.000 1.268 199 Y HN 0.623 nan 8.280 nan 0.000 0.561 200 F N 4.859 124.418 119.950 -0.652 0.000 2.645 200 F HA 0.726 5.253 4.527 0.000 0.000 0.310 200 F C -1.894 173.445 175.800 -0.769 0.000 1.102 200 F CA -1.325 56.224 58.000 -0.751 0.000 0.952 200 F CB 0.616 38.898 39.000 -1.197 0.000 1.326 200 F HN 0.333 nan 8.300 nan 0.000 0.456 201 V N -0.274 119.374 119.914 -0.442 0.000 3.078 201 V HA 0.693 4.813 4.120 0.000 0.000 0.311 201 V C -1.225 174.788 176.094 -0.136 0.000 1.138 201 V CA -0.926 61.136 62.300 -0.397 0.000 1.007 201 V CB 1.567 33.210 31.823 -0.300 0.000 1.045 201 V HN 1.105 nan 8.190 nan 0.000 0.432 202 Q N 2.249 121.962 119.800 -0.145 0.000 2.296 202 Q HA 0.455 4.795 4.340 0.000 0.000 0.257 202 Q C -0.551 175.365 176.000 -0.140 0.000 0.942 202 Q CA 0.408 56.154 55.803 -0.095 0.000 0.939 202 Q CB 0.698 29.374 28.738 -0.103 0.000 1.198 202 Q HN 0.909 nan 8.270 nan 0.000 0.429 203 N N 1.854 120.481 118.700 -0.121 0.000 2.443 203 N HA 0.612 5.352 4.740 0.000 0.000 0.295 203 N C -1.102 174.222 175.510 -0.310 0.000 1.076 203 N CA -0.443 52.474 53.050 -0.222 0.000 0.919 203 N CB 1.467 39.864 38.487 -0.150 0.000 1.176 203 N HN 0.726 nan 8.380 nan 0.000 0.487 204 T N -1.759 112.442 114.554 -0.588 0.000 2.896 204 T HA 0.378 4.728 4.350 0.000 0.000 0.297 204 T C -0.916 173.211 174.700 -0.955 0.000 1.108 204 T CA -0.603 61.090 62.100 -0.680 0.000 1.004 204 T CB 0.941 69.179 68.868 -1.051 0.000 1.159 204 T HN 0.424 nan 8.240 nan 0.000 0.499 205 Y N 0.773 120.950 120.300 -0.205 0.000 2.715 205 Y HA 0.463 5.013 4.550 0.000 0.000 0.255 205 Y C -0.342 175.572 175.900 0.024 0.000 1.139 205 Y CA -1.360 56.718 58.100 -0.037 0.000 1.151 205 Y CB 0.183 38.723 38.460 0.132 0.000 1.201 205 Y HN 0.715 nan 8.280 nan 0.000 0.556 206 F N -2.548 117.386 119.950 -0.027 0.000 2.577 206 F HA 0.617 5.144 4.527 0.000 0.000 0.318 206 F C -0.210 175.538 175.800 -0.088 0.000 1.065 206 F CA -1.772 56.188 58.000 -0.067 0.000 0.929 206 F CB 1.249 40.134 39.000 -0.191 0.000 1.237 206 F HN -0.224 nan 8.300 nan 0.000 0.468 207 D N 2.596 123.194 120.400 0.330 0.000 3.168 207 D HA 0.266 4.906 4.640 0.000 0.000 0.255 207 D C -1.272 175.480 176.300 0.755 0.000 1.314 207 D CA -0.029 54.205 54.000 0.390 0.000 0.900 207 D CB -0.479 40.549 40.800 0.381 0.000 1.072 207 D HN 0.463 nan 8.370 nan 0.000 0.487 208 F N -1.669 118.636 119.950 0.592 0.000 2.654 208 F HA 0.458 4.985 4.527 0.000 0.000 0.308 208 F C -1.226 174.849 175.800 0.459 0.000 1.108 208 F CA -1.864 56.462 58.000 0.544 0.000 0.957 208 F CB 0.541 39.739 39.000 0.330 0.000 1.309 208 F HN -0.206 nan 8.300 nan 0.000 0.446 209 F N 2.821 122.990 119.950 0.364 0.000 2.495 209 F HA 0.284 4.811 4.527 0.000 0.000 0.365 209 F C 0.831 176.732 175.800 0.168 0.000 1.090 209 F CA -0.270 57.765 58.000 0.060 0.000 1.235 209 F CB 0.640 39.488 39.000 -0.253 0.000 1.119 209 F HN 0.699 nan 8.300 nan 0.000 0.562 210 N N 5.430 123.754 118.700 -0.626 0.000 3.254 210 N HA 0.003 4.743 4.740 0.000 0.000 0.308 210 N C -1.044 174.263 175.510 -0.337 0.000 1.281 210 N CA -0.051 52.867 53.050 -0.219 0.000 1.212 210 N CB -0.785 37.639 38.487 -0.106 0.000 1.478 210 N HN 0.413 nan 8.380 nan 0.000 0.548 211 Y N 0.639 120.879 120.300 -0.100 0.000 2.757 211 Y HA 0.196 4.746 4.550 0.000 0.000 0.344 211 Y C 1.055 176.935 175.900 -0.033 0.000 1.263 211 Y CA 0.448 58.533 58.100 -0.024 0.000 1.493 211 Y CB 0.431 38.960 38.460 0.115 0.000 1.342 211 Y HN 0.374 nan 8.280 nan 0.000 0.627 212 A N 0.664 123.436 122.820 -0.079 0.000 2.564 212 A HA 0.925 5.245 4.320 0.000 0.000 0.288 212 A C -0.052 177.475 177.584 -0.095 0.000 1.164 212 A CA -0.090 51.937 52.037 -0.016 0.000 0.712 212 A CB 1.549 20.541 19.000 -0.013 0.000 1.303 212 A HN 1.434 nan 8.150 nan 0.000 0.418 213 G N -1.528 107.445 108.800 0.289 0.000 2.315 213 G HA2 0.348 4.308 3.960 0.000 0.000 0.296 213 G HA3 0.348 4.308 3.960 0.000 0.000 0.296 213 G C -1.283 173.649 174.900 0.054 0.000 1.289 213 G CA -0.564 44.801 45.100 0.442 0.000 0.996 213 G HN 1.163 nan 8.290 nan 0.000 0.487 214 L N 1.384 122.458 121.223 -0.249 0.000 2.358 214 L HA 0.296 4.636 4.340 0.000 0.000 0.274 214 L C 1.599 178.341 176.870 -0.212 0.000 1.136 214 L CA -0.116 54.487 54.840 -0.395 0.000 0.970 214 L CB 0.716 42.290 42.059 -0.809 0.000 1.314 214 L HN 0.663 nan 8.230 nan 0.000 0.427 215 Q N 1.397 121.120 119.800 -0.129 0.000 2.432 215 Q HA 0.127 4.467 4.340 0.000 0.000 0.205 215 Q C 0.197 176.161 176.000 -0.059 0.000 0.945 215 Q CA 0.595 56.349 55.803 -0.081 0.000 0.924 215 Q CB 0.475 29.170 28.738 -0.072 0.000 1.016 215 Q HN 0.546 nan 8.270 nan 0.000 0.503 216 R N -0.465 119.976 120.500 -0.099 0.000 2.888 216 R HA 0.448 4.788 4.340 0.000 0.000 0.266 216 R C -0.599 175.624 176.300 -0.129 0.000 1.020 216 R CA -0.659 55.379 56.100 -0.104 0.000 0.963 216 R CB 1.720 31.952 30.300 -0.113 0.000 1.197 216 R HN -0.102 nan 8.270 nan 0.000 0.481 217 S N 0.732 116.356 115.700 -0.128 0.000 2.560 217 S HA 0.115 4.585 4.470 0.000 0.000 0.284 217 S C -0.116 174.438 174.600 -0.077 0.000 1.327 217 S CA -0.373 57.786 58.200 -0.068 0.000 1.055 217 S CB 0.651 63.828 63.200 -0.038 0.000 0.868 217 S HN 0.208 nan 8.310 nan 0.000 0.506 218 V N 5.304 125.204 119.914 -0.022 0.000 2.483 218 V HA 0.668 4.788 4.120 0.000 0.000 0.295 218 V C -0.023 176.136 176.094 0.108 0.000 1.035 218 V CA -0.632 61.676 62.300 0.013 0.000 0.896 218 V CB 0.784 32.654 31.823 0.079 0.000 0.986 218 V HN 0.770 nan 8.190 nan 0.000 0.447 219 L N 2.867 124.143 121.223 0.089 0.000 2.479 219 L HA 0.805 5.145 4.340 0.000 0.000 0.255 219 L C -1.469 175.492 176.870 0.151 0.000 1.026 219 L CA -0.975 53.945 54.840 0.134 0.000 0.842 219 L CB 2.245 44.368 42.059 0.107 0.000 1.444 219 L HN 0.366 nan 8.230 nan 0.000 0.409 220 L N 1.961 123.302 121.223 0.196 0.000 2.325 220 L HA 0.669 5.009 4.340 0.000 0.000 0.278 220 L C -0.923 176.084 176.870 0.228 0.000 1.023 220 L CA -0.653 54.299 54.840 0.187 0.000 0.811 220 L CB 1.661 43.913 42.059 0.321 0.000 1.249 220 L HN 0.747 nan 8.230 nan 0.000 0.431 221 Y N 0.236 120.488 120.300 -0.080 0.000 2.615 221 Y HA 0.831 5.381 4.550 0.000 0.000 0.341 221 Y C -0.541 175.119 175.900 -0.399 0.000 1.089 221 Y CA -1.095 56.895 58.100 -0.184 0.000 1.049 221 Y CB 1.651 40.033 38.460 -0.131 0.000 1.296 221 Y HN 0.544 nan 8.280 nan 0.000 0.470 222 T N -0.510 113.869 114.554 -0.292 0.000 2.908 222 T HA 0.829 5.179 4.350 0.000 0.000 0.290 222 T C -0.454 174.144 174.700 -0.171 0.000 1.034 222 T CA -0.093 61.732 62.100 -0.459 0.000 1.010 222 T CB 1.651 70.085 68.868 -0.723 0.000 1.068 222 T HN 1.322 nan 8.240 nan 0.000 0.481 223 T N -1.156 113.262 114.554 -0.228 0.000 2.812 223 T HA 0.773 5.123 4.350 0.000 0.000 0.294 223 T C -3.169 171.463 174.700 -0.112 0.000 1.159 223 T CA -1.927 60.103 62.100 -0.117 0.000 1.008 223 T CB 1.158 69.933 68.868 -0.156 0.000 1.289 223 T HN 0.470 nan 8.240 nan 0.000 0.514 224 P HA 0.200 nan 4.420 nan 0.000 0.273 224 P C 1.301 178.628 177.300 0.046 0.000 1.250 224 P CA -0.184 62.920 63.100 0.008 0.000 0.793 224 P CB 0.197 31.920 31.700 0.039 0.000 1.011 225 T N -4.013 110.574 114.554 0.056 0.000 2.951 225 T HA -0.013 4.337 4.350 0.000 0.000 0.268 225 T C 0.602 175.428 174.700 0.211 0.000 1.073 225 T CA 1.099 63.260 62.100 0.103 0.000 1.134 225 T CB -0.862 68.037 68.868 0.051 0.000 0.884 225 T HN 0.288 nan 8.240 nan 0.000 0.479 226 T N 2.648 117.283 114.554 0.136 0.000 2.771 226 T HA 0.607 4.957 4.350 0.000 0.000 0.281 226 T C -1.203 173.526 174.700 0.050 0.000 0.982 226 T CA -0.717 61.401 62.100 0.031 0.000 0.978 226 T CB 0.721 69.572 68.868 -0.028 0.000 0.930 226 T HN 0.566 nan 8.240 nan 0.000 0.447 227 Y N 0.315 120.533 120.300 -0.136 0.000 2.638 227 Y HA 0.679 5.229 4.550 0.000 0.000 0.335 227 Y C -1.227 174.567 175.900 -0.177 0.000 1.155 227 Y CA -1.846 56.174 58.100 -0.133 0.000 1.046 227 Y CB 0.568 38.981 38.460 -0.077 0.000 1.303 227 Y HN 0.454 nan 8.280 nan 0.000 0.460 228 I N 2.377 122.934 120.570 -0.023 0.000 2.421 228 I HA 0.093 4.263 4.170 0.000 0.000 0.291 228 I C 0.051 176.153 176.117 -0.026 0.000 1.089 228 I CA 0.575 61.801 61.300 -0.123 0.000 1.354 228 I CB 0.732 38.675 38.000 -0.095 0.000 1.413 228 I HN 0.834 nan 8.210 nan 0.000 0.513 229 D N 3.566 123.885 120.400 -0.134 0.000 2.324 229 D HA 0.001 4.641 4.640 0.000 0.000 0.212 229 D C 0.036 176.294 176.300 -0.070 0.000 0.984 229 D CA 0.774 54.764 54.000 -0.017 0.000 0.885 229 D CB 0.565 41.303 40.800 -0.104 0.000 0.996 229 D HN 0.505 nan 8.370 nan 0.000 0.505 230 D N -0.900 119.429 120.400 -0.119 0.000 2.655 230 D HA 0.412 5.052 4.640 0.000 0.000 0.229 230 D C -1.401 174.833 176.300 -0.110 0.000 1.229 230 D CA -0.537 53.396 54.000 -0.111 0.000 0.807 230 D CB 1.690 42.448 40.800 -0.071 0.000 1.514 230 D HN -0.004 nan 8.370 nan 0.000 0.444 231 I N 1.100 121.610 120.570 -0.099 0.000 2.607 231 I HA 0.341 4.511 4.170 0.000 0.000 0.290 231 I C -0.713 175.386 176.117 -0.030 0.000 1.129 231 I CA -0.506 60.763 61.300 -0.052 0.000 1.042 231 I CB 2.604 40.573 38.000 -0.052 0.000 1.242 231 I HN 0.136 nan 8.210 nan 0.000 0.421 232 T N 5.020 119.573 114.554 -0.001 0.000 2.847 232 T HA 0.492 4.842 4.350 0.000 0.000 0.291 232 T C -0.553 174.158 174.700 0.018 0.000 0.998 232 T CA -0.452 61.646 62.100 -0.003 0.000 0.967 232 T CB 1.697 70.555 68.868 -0.015 0.000 0.954 232 T HN 0.146 nan 8.240 nan 0.000 0.441 233 V N 4.138 124.058 119.914 0.009 0.000 2.459 233 V HA 0.790 4.910 4.120 0.000 0.000 0.295 233 V C 0.361 176.448 176.094 -0.012 0.000 1.029 233 V CA -0.691 61.619 62.300 0.017 0.000 0.874 233 V CB 1.940 33.773 31.823 0.016 0.000 0.985 233 V HN 1.070 nan 8.190 nan 0.000 0.438 234 T N 0.302 114.846 114.554 -0.016 0.000 2.906 234 T HA 0.812 5.162 4.350 0.000 0.000 0.295 234 T C -0.425 174.248 174.700 -0.044 0.000 1.061 234 T CA -0.607 61.472 62.100 -0.036 0.000 1.000 234 T CB 2.020 70.867 68.868 -0.035 0.000 1.103 234 T HN 0.806 nan 8.240 nan 0.000 0.486 235 T N -0.996 113.520 114.554 -0.063 0.000 2.893 235 T HA 0.826 5.176 4.350 0.000 0.000 0.291 235 T C -0.238 174.418 174.700 -0.074 0.000 1.028 235 T CA -0.556 61.502 62.100 -0.069 0.000 0.995 235 T CB 1.601 70.419 68.868 -0.082 0.000 1.051 235 T HN 1.286 nan 8.240 nan 0.000 0.470 236 S N 0.672 116.331 115.700 -0.070 0.000 2.732 236 S HA 0.855 5.325 4.470 0.000 0.000 0.293 236 S C -1.201 173.359 174.600 -0.066 0.000 1.159 236 S CA -0.834 57.326 58.200 -0.067 0.000 0.847 236 S CB 1.404 64.572 63.200 -0.054 0.000 1.169 236 S HN 0.858 nan 8.310 nan 0.000 0.501 237 V N 0.901 120.781 119.914 -0.057 0.000 2.680 237 V HA 0.656 4.776 4.120 0.000 0.000 0.309 237 V C -0.664 175.411 176.094 -0.031 0.000 1.052 237 V CA -0.486 61.786 62.300 -0.048 0.000 0.908 237 V CB 1.564 33.359 31.823 -0.048 0.000 1.001 237 V HN 0.998 nan 8.190 nan 0.000 0.431 238 E N 3.700 123.885 120.200 -0.024 0.000 2.325 238 E HA 0.452 4.802 4.350 0.000 0.000 0.248 238 E C -0.117 176.479 176.600 -0.006 0.000 0.912 238 E CA -0.153 56.238 56.400 -0.015 0.000 0.782 238 E CB 1.007 30.696 29.700 -0.018 0.000 1.264 238 E HN 0.822 nan 8.360 nan 0.000 0.417 239 Q N 1.682 121.483 119.800 0.003 0.000 1.881 239 Q HA -0.292 4.048 4.340 0.000 0.000 0.372 239 Q C 0.024 176.035 176.000 0.017 0.000 0.737 239 Q CA 2.085 57.895 55.803 0.012 0.000 0.914 239 Q CB -1.099 27.645 28.738 0.010 0.000 2.970 239 Q HN 0.770 nan 8.270 nan 0.000 0.753 240 D N 0.337 120.747 120.400 0.016 0.000 2.463 240 D HA 0.262 4.902 4.640 0.000 0.000 0.224 240 D C -0.471 175.833 176.300 0.006 0.000 1.174 240 D CA 0.082 54.094 54.000 0.021 0.000 0.829 240 D CB 0.485 41.302 40.800 0.028 0.000 0.993 240 D HN 0.137 nan 8.370 nan 0.000 0.497 241 S N -0.568 115.128 115.700 -0.006 0.000 2.537 241 S HA 0.746 5.216 4.470 0.000 0.000 0.301 241 S C 0.176 174.752 174.600 -0.039 0.000 1.092 241 S CA -0.678 57.510 58.200 -0.021 0.000 1.048 241 S CB 1.899 65.088 63.200 -0.019 0.000 1.053 241 S HN 0.373 nan 8.310 nan 0.000 0.501 242 G N 1.185 109.945 108.800 -0.066 0.000 2.400 242 G HA2 0.679 4.639 3.960 0.000 0.000 0.333 242 G HA3 0.679 4.639 3.960 0.000 0.000 0.333 242 G C -1.333 173.512 174.900 -0.092 0.000 1.143 242 G CA -0.612 44.433 45.100 -0.092 0.000 0.914 242 G HN 0.589 nan 8.290 nan 0.000 0.480 243 L N 1.360 122.535 121.223 -0.080 0.000 2.356 243 L HA 0.489 4.829 4.340 0.000 0.000 0.277 243 L C -0.678 176.156 176.870 -0.060 0.000 0.996 243 L CA -1.051 53.752 54.840 -0.062 0.000 0.822 243 L CB 2.414 44.444 42.059 -0.048 0.000 1.256 243 L HN 0.176 nan 8.230 nan 0.000 0.413 244 V N 2.781 122.673 119.914 -0.037 0.000 2.325 244 V HA 0.308 4.428 4.120 0.000 0.000 0.280 244 V C -0.203 175.926 176.094 0.058 0.000 1.016 244 V CA -0.821 61.476 62.300 -0.006 0.000 0.818 244 V CB 1.222 33.035 31.823 -0.017 0.000 1.019 244 V HN 0.666 nan 8.190 nan 0.000 0.434 245 N N 4.458 123.167 118.700 0.015 0.000 2.488 245 N HA 0.397 5.137 4.740 0.000 0.000 0.274 245 N C -0.822 174.719 175.510 0.050 0.000 1.111 245 N CA -0.090 52.942 53.050 -0.029 0.000 0.974 245 N CB 1.645 40.092 38.487 -0.068 0.000 1.089 245 N HN 0.761 nan 8.380 nan 0.000 0.465 246 Y N -0.707 119.576 120.300 -0.029 0.000 2.446 246 Y HA 0.554 5.104 4.550 0.000 0.000 0.345 246 Y C -0.581 175.306 175.900 -0.022 0.000 0.984 246 Y CA -1.082 57.004 58.100 -0.024 0.000 1.058 246 Y CB 1.455 39.905 38.460 -0.016 0.000 1.220 246 Y HN 0.158 nan 8.280 nan 0.000 0.455 247 Q N 4.063 123.917 119.800 0.089 0.000 2.292 247 Q HA 0.554 4.894 4.340 0.000 0.000 0.270 247 Q C -1.464 174.579 176.000 0.073 0.000 1.024 247 Q CA -0.493 55.333 55.803 0.038 0.000 0.768 247 Q CB 2.948 31.677 28.738 -0.014 0.000 1.250 247 Q HN 0.939 nan 8.270 nan 0.000 0.447 248 I N 0.894 121.513 120.570 0.082 0.000 2.498 248 I HA 0.356 4.526 4.170 0.000 0.000 0.290 248 I C -0.106 176.002 176.117 -0.015 0.000 1.032 248 I CA -0.707 60.613 61.300 0.033 0.000 1.073 248 I CB 2.264 40.296 38.000 0.054 0.000 1.251 248 I HN 0.328 nan 8.210 nan 0.000 0.426 249 S N 5.477 121.133 115.700 -0.073 0.000 2.449 249 S HA 0.687 5.157 4.470 0.000 0.000 0.310 249 S C -0.856 173.616 174.600 -0.213 0.000 1.096 249 S CA -0.460 57.678 58.200 -0.104 0.000 1.095 249 S CB 1.135 64.283 63.200 -0.087 0.000 1.007 249 S HN 0.332 nan 8.310 nan 0.000 0.474 250 V N 6.104 125.842 119.914 -0.293 0.000 2.513 250 V HA 0.592 4.712 4.120 0.000 0.000 0.299 250 V C -0.262 175.569 176.094 -0.438 0.000 1.035 250 V CA -0.801 61.191 62.300 -0.513 0.000 0.889 250 V CB 1.905 33.120 31.823 -1.014 0.000 0.988 250 V HN 0.768 nan 8.190 nan 0.000 0.440 251 K N 2.273 122.286 120.400 -0.644 0.000 2.267 251 K HA 0.819 5.139 4.320 0.000 0.000 0.246 251 K C 0.534 176.842 176.600 -0.487 0.000 0.954 251 K CA 0.324 56.271 56.287 -0.567 0.000 0.824 251 K CB 2.010 34.070 32.500 -0.734 0.000 1.167 251 K HN 0.998 nan 8.250 nan 0.000 0.431 252 G N 1.082 109.760 108.800 -0.205 0.000 2.846 252 G HA2 -0.263 3.697 3.960 0.000 0.000 0.225 252 G HA3 -0.263 3.697 3.960 0.000 0.000 0.225 252 G C -0.241 174.649 174.900 -0.017 0.000 1.285 252 G CA -0.012 45.044 45.100 -0.073 0.000 1.055 252 G HN 0.578 nan 8.290 nan 0.000 0.579 253 S N 1.636 117.345 115.700 0.015 0.000 2.560 253 S HA 0.304 4.774 4.470 0.000 0.000 0.284 253 S C 1.677 176.380 174.600 0.171 0.000 1.327 253 S CA 0.863 59.108 58.200 0.074 0.000 1.055 253 S CB 0.476 63.727 63.200 0.084 0.000 0.868 253 S HN 1.287 nan 8.310 nan 0.000 0.506 254 N N 3.804 122.578 118.700 0.124 0.000 2.412 254 N HA 0.008 4.748 4.740 0.000 0.000 0.184 254 N C -0.087 175.403 175.510 -0.033 0.000 1.101 254 N CA 0.038 53.153 53.050 0.108 0.000 0.881 254 N CB -0.397 38.101 38.487 0.018 0.000 0.969 254 N HN 0.449 nan 8.380 nan 0.000 0.459 255 L N 1.515 122.755 121.223 0.028 0.000 2.272 255 L HA 0.491 4.831 4.340 0.000 0.000 0.284 255 L C -1.150 175.753 176.870 0.054 0.000 1.045 255 L CA -0.887 53.918 54.840 -0.059 0.000 0.842 255 L CB -0.445 41.603 42.059 -0.020 0.000 1.224 255 L HN 0.192 nan 8.230 nan 0.000 0.430 256 F N 1.946 121.875 119.950 -0.035 0.000 2.779 256 F HA 0.741 5.268 4.527 0.000 0.000 0.316 256 F C -1.360 174.419 175.800 -0.035 0.000 1.164 256 F CA -1.198 56.778 58.000 -0.040 0.000 0.924 256 F CB 1.351 40.319 39.000 -0.054 0.000 1.348 256 F HN 0.087 nan 8.300 nan 0.000 0.467 257 K N 1.690 122.268 120.400 0.298 0.000 2.422 257 K HA 0.703 5.023 4.320 0.000 0.000 0.251 257 K C -1.790 174.932 176.600 0.204 0.000 0.933 257 K CA -0.721 55.677 56.287 0.186 0.000 0.798 257 K CB 2.950 35.490 32.500 0.068 0.000 1.238 257 K HN 0.626 nan 8.250 nan 0.000 0.428 258 L N 2.266 123.592 121.223 0.171 0.000 2.346 258 L HA 0.435 4.775 4.340 0.000 0.000 0.276 258 L C -0.653 176.239 176.870 0.037 0.000 1.006 258 L CA -0.592 54.298 54.840 0.084 0.000 0.817 258 L CB 1.949 44.076 42.059 0.112 0.000 1.272 258 L HN 0.578 nan 8.230 nan 0.000 0.421 259 E N 2.250 122.442 120.200 -0.013 0.000 2.222 259 E HA 0.580 4.930 4.350 0.000 0.000 0.267 259 E C -1.303 175.253 176.600 -0.073 0.000 0.884 259 E CA -0.711 55.675 56.400 -0.025 0.000 0.764 259 E CB 3.011 32.708 29.700 -0.006 0.000 1.169 259 E HN 0.333 nan 8.360 nan 0.000 0.413 260 V N 0.046 119.884 119.914 -0.126 0.000 2.656 260 V HA 0.695 4.815 4.120 0.000 0.000 0.307 260 V C -0.689 175.325 176.094 -0.132 0.000 1.051 260 V CA -0.910 61.267 62.300 -0.205 0.000 0.893 260 V CB 1.785 33.288 31.823 -0.532 0.000 0.999 260 V HN 0.604 nan 8.190 nan 0.000 0.426 261 R N 3.162 123.615 120.500 -0.078 0.000 2.621 261 R HA 0.689 5.030 4.340 0.000 0.000 0.292 261 R C -1.704 174.588 176.300 -0.014 0.000 0.969 261 R CA -0.849 55.234 56.100 -0.029 0.000 0.887 261 R CB 2.590 32.896 30.300 0.011 0.000 1.180 261 R HN 0.749 nan 8.270 nan 0.000 0.450 262 L N 3.716 124.943 121.223 0.006 0.000 2.280 262 L HA 0.392 4.732 4.340 0.000 0.000 0.287 262 L C -1.413 175.526 176.870 0.115 0.000 1.023 262 L CA -0.606 54.262 54.840 0.046 0.000 0.819 262 L CB 1.082 43.139 42.059 -0.003 0.000 1.212 262 L HN 0.377 nan 8.230 nan 0.000 0.420 263 L N 4.320 125.634 121.223 0.151 0.000 2.309 263 L HA 0.458 4.798 4.340 0.000 0.000 0.282 263 L C 0.080 177.100 176.870 0.251 0.000 1.036 263 L CA -0.525 54.407 54.840 0.154 0.000 0.806 263 L CB 1.282 43.388 42.059 0.078 0.000 1.220 263 L HN 0.690 nan 8.230 nan 0.000 0.429 264 D N 1.720 122.250 120.400 0.216 0.000 2.398 264 D HA 0.237 4.877 4.640 0.000 0.000 0.264 264 D C 0.941 177.196 176.300 -0.076 0.000 1.263 264 D CA 0.053 54.106 54.000 0.088 0.000 1.037 264 D CB 0.511 41.402 40.800 0.151 0.000 1.101 264 D HN 0.491 nan 8.370 nan 0.000 0.551 265 A N -0.912 121.784 122.820 -0.205 0.000 2.119 265 A HA -0.061 4.259 4.320 0.000 0.000 0.217 265 A C 1.375 178.872 177.584 -0.144 0.000 1.153 265 A CA 0.909 52.755 52.037 -0.317 0.000 0.692 265 A CB -0.571 18.048 19.000 -0.636 0.000 0.799 265 A HN 0.518 nan 8.150 nan 0.000 0.458 266 E N 0.270 120.435 120.200 -0.058 0.000 2.437 266 E HA 0.135 4.485 4.350 0.000 0.000 0.195 266 E C -0.045 176.546 176.600 -0.015 0.000 1.029 266 E CA -0.132 56.250 56.400 -0.030 0.000 0.948 266 E CB -0.041 29.657 29.700 -0.004 0.000 1.082 266 E HN 0.483 nan 8.360 nan 0.000 0.456 267 N N 0.370 119.061 118.700 -0.015 0.000 2.850 267 N HA -0.223 4.517 4.740 0.000 0.000 0.249 267 N C -0.145 175.377 175.510 0.021 0.000 1.060 267 N CA 0.801 53.850 53.050 -0.001 0.000 0.825 267 N CB -0.965 37.514 38.487 -0.014 0.000 1.132 267 N HN 0.257 nan 8.380 nan 0.000 0.564 268 K N 1.471 121.894 120.400 0.039 0.000 2.227 268 K HA 0.377 4.697 4.320 0.000 0.000 0.280 268 K C 0.107 176.752 176.600 0.075 0.000 1.041 268 K CA -0.390 55.928 56.287 0.050 0.000 0.905 268 K CB 1.097 33.628 32.500 0.053 0.000 1.068 268 K HN -0.114 nan 8.250 nan 0.000 0.470 269 V N 5.955 125.906 119.914 0.062 0.000 2.485 269 V HA -0.052 4.068 4.120 0.000 0.000 0.287 269 V C 1.118 177.257 176.094 0.075 0.000 1.022 269 V CA 0.156 62.495 62.300 0.066 0.000 1.067 269 V CB 0.780 32.630 31.823 0.045 0.000 0.967 269 V HN 0.775 nan 8.190 nan 0.000 0.479 270 V N 2.015 121.986 119.914 0.095 0.000 3.645 270 V HA 0.800 4.920 4.120 0.000 0.000 0.275 270 V C 0.528 176.648 176.094 0.044 0.000 1.356 270 V CA 0.631 62.983 62.300 0.088 0.000 1.051 270 V CB 0.040 31.955 31.823 0.153 0.000 0.828 270 V HN 0.989 nan 8.190 nan 0.000 0.441 271 A N 1.469 124.308 122.820 0.032 0.000 2.599 271 A HA 0.725 5.045 4.320 0.000 0.000 0.294 271 A C -1.210 176.379 177.584 0.009 0.000 1.055 271 A CA -0.121 51.924 52.037 0.013 0.000 0.683 271 A CB 1.226 20.221 19.000 -0.009 0.000 1.278 271 A HN 0.654 nan 8.150 nan 0.000 0.412 272 N N 0.259 118.965 118.700 0.011 0.000 2.708 272 N HA 0.758 5.498 4.740 0.000 0.000 0.257 272 N C -0.341 175.180 175.510 0.019 0.000 1.373 272 N CA 0.027 53.076 53.050 -0.001 0.000 0.843 272 N CB 1.714 40.204 38.487 0.004 0.000 1.503 272 N HN 1.576 nan 8.380 nan 0.000 0.504 273 G N -0.792 108.010 108.800 0.004 0.000 2.634 273 G HA2 0.692 4.652 3.960 0.000 0.000 0.309 273 G HA3 0.692 4.652 3.960 0.000 0.000 0.309 273 G C -1.379 173.548 174.900 0.045 0.000 1.299 273 G CA -0.082 45.058 45.100 0.066 0.000 0.798 273 G HN 1.002 nan 8.290 nan 0.000 0.490 274 T N -3.797 110.832 114.554 0.126 0.000 2.778 274 T HA 0.868 5.218 4.350 0.000 0.000 0.293 274 T C 0.485 175.308 174.700 0.206 0.000 1.144 274 T CA 0.428 62.594 62.100 0.109 0.000 1.010 274 T CB 1.440 70.352 68.868 0.073 0.000 1.325 274 T HN 2.719 nan 8.240 nan 0.000 0.515 275 G N 0.166 109.067 108.800 0.168 0.000 2.756 275 G HA2 -0.005 3.955 3.960 0.000 0.000 0.678 275 G HA3 -0.005 3.955 3.960 0.000 0.000 0.678 275 G C 0.644 175.699 174.900 0.258 0.000 1.349 275 G CA 0.618 45.826 45.100 0.181 0.000 0.847 275 G HN 1.996 nan 8.290 nan 0.000 0.548 276 T N -2.386 112.288 114.554 0.201 0.000 3.023 276 T HA 0.275 4.625 4.350 0.000 0.000 0.266 276 T C 0.904 175.685 174.700 0.135 0.000 1.093 276 T CA 2.030 64.242 62.100 0.186 0.000 1.129 276 T CB -0.199 68.758 68.868 0.149 0.000 0.899 276 T HN 1.529 nan 8.240 nan 0.000 0.491 277 Q N -0.482 119.330 119.800 0.020 0.000 2.340 277 Q HA 0.686 5.026 4.340 0.000 0.000 0.276 277 Q C -0.595 175.104 176.000 -0.501 0.000 1.048 277 Q CA -1.238 54.413 55.803 -0.255 0.000 0.832 277 Q CB 2.074 30.718 28.738 -0.157 0.000 1.373 277 Q HN 0.287 nan 8.270 nan 0.000 0.409 278 G N 0.666 108.855 108.800 -1.017 0.000 2.335 278 G HA2 0.314 4.274 3.960 0.000 0.000 0.291 278 G HA3 0.314 4.274 3.960 0.000 0.000 0.291 278 G C -2.111 172.352 174.900 -0.728 0.000 1.261 278 G CA -0.577 44.061 45.100 -0.770 0.000 0.871 278 G HN 0.641 nan 8.290 nan 0.000 0.491 279 Q N -0.280 119.372 119.800 -0.247 0.000 2.268 279 Q HA 0.597 4.937 4.340 0.000 0.000 0.266 279 Q C -1.505 174.556 176.000 0.101 0.000 1.006 279 Q CA -0.644 55.129 55.803 -0.049 0.000 0.824 279 Q CB 1.956 30.652 28.738 -0.070 0.000 1.306 279 Q HN 0.550 nan 8.270 nan 0.000 0.424 280 L N 2.945 124.253 121.223 0.142 0.000 2.309 280 L HA 0.588 4.928 4.340 0.000 0.000 0.282 280 L C -0.274 176.600 176.870 0.006 0.000 1.036 280 L CA -0.694 54.196 54.840 0.082 0.000 0.806 280 L CB 1.568 43.668 42.059 0.068 0.000 1.220 280 L HN 0.467 nan 8.230 nan 0.000 0.429 281 K N 1.990 122.385 120.400 -0.008 0.000 2.206 281 K HA 0.563 4.883 4.320 0.000 0.000 0.264 281 K C -1.326 175.245 176.600 -0.048 0.000 0.967 281 K CA -0.575 55.693 56.287 -0.031 0.000 0.844 281 K CB 1.781 34.271 32.500 -0.017 0.000 1.099 281 K HN 0.355 nan 8.250 nan 0.000 0.441 282 V N 6.668 126.535 119.914 -0.079 0.000 2.284 282 V HA 0.278 4.398 4.120 0.000 0.000 0.274 282 V C -2.324 173.742 176.094 -0.048 0.000 1.023 282 V CA -2.074 60.168 62.300 -0.096 0.000 0.808 282 V CB 0.793 32.472 31.823 -0.240 0.000 1.035 282 V HN 0.778 nan 8.190 nan 0.000 0.445 283 P HA 0.234 nan 4.420 nan 0.000 0.271 283 P C 0.875 178.183 177.300 0.012 0.000 1.216 283 P CA 0.711 63.811 63.100 0.000 0.000 0.776 283 P CB 0.801 32.507 31.700 0.009 0.000 0.881 284 G N 1.677 110.484 108.800 0.012 0.000 2.350 284 G HA2 -0.203 3.757 3.960 0.000 0.000 0.298 284 G HA3 -0.203 3.757 3.960 0.000 0.000 0.298 284 G C 0.165 175.076 174.900 0.018 0.000 1.037 284 G CA -0.018 45.093 45.100 0.018 0.000 1.074 284 G HN 0.626 nan 8.290 nan 0.000 0.511 285 V N 0.031 119.951 119.914 0.010 0.000 2.963 285 V HA 0.534 4.654 4.120 0.000 0.000 0.306 285 V C 0.909 176.994 176.094 -0.015 0.000 1.077 285 V CA 0.593 62.906 62.300 0.021 0.000 1.124 285 V CB 1.441 33.247 31.823 -0.028 0.000 0.987 285 V HN 0.596 nan 8.190 nan 0.000 0.487 286 S N 7.072 122.726 115.700 -0.075 0.000 2.423 286 S HA 0.482 4.952 4.470 0.000 0.000 0.317 286 S C -0.263 174.260 174.600 -0.128 0.000 1.065 286 S CA -0.442 57.572 58.200 -0.309 0.000 1.111 286 S CB 0.309 62.835 63.200 -1.123 0.000 0.968 286 S HN 0.578 nan 8.310 nan 0.000 0.474 287 L N 2.319 123.491 121.223 -0.084 0.000 2.467 287 L HA 0.195 4.535 4.340 0.000 0.000 0.270 287 L C 0.280 177.040 176.870 -0.183 0.000 1.205 287 L CA -0.366 54.360 54.840 -0.190 0.000 0.828 287 L CB 0.378 42.144 42.059 -0.489 0.000 1.101 287 L HN 0.694 nan 8.230 nan 0.000 0.479 288 W N 2.620 123.742 121.300 -0.297 0.000 2.388 288 W HA 0.250 4.910 4.660 0.000 0.000 0.308 288 W C -1.065 175.225 176.519 -0.381 0.000 1.263 288 W CA -0.445 56.792 57.345 -0.180 0.000 1.286 288 W CB 0.363 29.769 29.460 -0.090 0.000 1.294 288 W HN 0.296 nan 8.180 nan 0.000 0.493 289 W N 8.408 129.500 121.300 -0.346 0.000 2.606 289 W HA 0.394 5.054 4.660 0.000 0.000 0.332 289 W C -1.790 174.316 176.519 -0.689 0.000 1.052 289 W CA -2.453 54.704 57.345 -0.315 0.000 1.223 289 W CB 0.734 30.100 29.460 -0.157 0.000 1.383 289 W HN 0.202 nan 8.180 nan 0.000 0.524 290 P HA -0.163 nan 4.420 nan 0.000 0.267 290 P C -0.545 176.739 177.300 -0.026 0.000 1.201 290 P CA 0.058 63.043 63.100 -0.191 0.000 0.775 290 P CB 0.240 31.928 31.700 -0.020 0.000 0.854 291 Y N 4.112 124.342 120.300 -0.118 0.000 2.895 291 Y HA -0.092 4.458 4.550 0.000 0.000 0.334 291 Y C 1.390 177.277 175.900 -0.022 0.000 1.261 291 Y CA 0.575 58.651 58.100 -0.040 0.000 1.560 291 Y CB -0.526 37.944 38.460 0.017 0.000 1.253 291 Y HN 0.381 nan 8.280 nan 0.000 0.582 292 L N 3.347 124.307 121.223 -0.437 0.000 5.081 292 L HA -0.387 3.953 4.340 0.000 0.000 0.423 292 L C 1.555 178.315 176.870 -0.184 0.000 1.019 292 L CA 1.179 55.752 54.840 -0.444 0.000 1.223 292 L CB -1.383 40.254 42.059 -0.703 0.000 1.940 292 L HN 0.748 nan 8.230 nan 0.000 0.675 293 M N -0.957 118.602 119.600 -0.068 0.000 2.510 293 M HA 0.092 4.572 4.480 0.000 0.000 0.256 293 M C 0.612 176.812 176.300 -0.167 0.000 1.132 293 M CA 1.041 56.321 55.300 -0.033 0.000 1.105 293 M CB 0.382 33.076 32.600 0.157 0.000 1.375 293 M HN 0.331 nan 8.290 nan 0.000 0.477 294 H N -0.637 118.293 119.070 -0.233 0.000 3.046 294 H HA 0.127 4.683 4.556 0.000 0.000 0.363 294 H C -0.627 174.618 175.328 -0.139 0.000 1.203 294 H CA -0.164 55.695 56.048 -0.314 0.000 1.169 294 H CB 1.519 30.969 29.762 -0.521 0.000 1.851 294 H HN 0.075 nan 8.280 nan 0.000 0.546 295 E N 2.216 122.300 120.200 -0.194 0.000 2.204 295 E HA -0.057 4.293 4.350 0.000 0.000 0.195 295 E C -0.080 176.613 176.600 0.154 0.000 0.990 295 E CA 0.809 57.196 56.400 -0.022 0.000 0.821 295 E CB 0.375 30.008 29.700 -0.112 0.000 0.750 295 E HN 0.319 nan 8.360 nan 0.000 0.477 296 R N 1.217 121.953 120.500 0.393 0.000 2.477 296 R HA 0.257 4.597 4.340 0.000 0.000 0.285 296 R C -2.433 173.964 176.300 0.161 0.000 1.415 296 R CA -1.622 54.622 56.100 0.240 0.000 1.446 296 R CB 1.308 31.739 30.300 0.219 0.000 1.110 296 R HN 0.114 nan 8.270 nan 0.000 0.590 297 P HA 0.126 nan 4.420 nan 0.000 0.278 297 P C -0.023 177.154 177.300 -0.205 0.000 1.266 297 P CA -0.147 62.935 63.100 -0.031 0.000 0.807 297 P CB 1.100 32.806 31.700 0.009 0.000 1.094 298 A N -1.331 121.124 122.820 -0.608 0.000 2.872 298 A HA -0.260 4.060 4.320 0.000 0.000 0.273 298 A C 0.084 177.511 177.584 -0.261 0.000 1.442 298 A CA 0.463 51.995 52.037 -0.841 0.000 0.801 298 A CB -3.036 15.748 19.000 -0.360 0.000 1.031 298 A HN 0.563 nan 8.150 nan 0.000 0.582 299 Y N -0.554 119.612 120.300 -0.223 0.000 2.650 299 Y HA 0.433 4.983 4.550 0.000 0.000 0.331 299 Y C 0.385 176.348 175.900 0.105 0.000 1.165 299 Y CA 0.715 58.775 58.100 -0.066 0.000 1.473 299 Y CB 0.197 38.606 38.460 -0.084 0.000 1.224 299 Y HN 0.385 nan 8.280 nan 0.000 0.533 300 L N 7.798 128.916 121.223 -0.175 0.000 2.333 300 L HA 0.359 4.699 4.340 0.000 0.000 0.280 300 L C -0.731 176.039 176.870 -0.168 0.000 1.004 300 L CA -0.849 54.011 54.840 0.034 0.000 0.820 300 L CB 1.008 43.098 42.059 0.052 0.000 1.247 300 L HN 0.598 nan 8.230 nan 0.000 0.416 301 Y N 0.719 121.098 120.300 0.132 0.000 2.282 301 Y HA 0.402 4.952 4.550 0.000 0.000 0.335 301 Y C 0.825 176.749 175.900 0.039 0.000 1.335 301 Y CA -0.244 57.919 58.100 0.105 0.000 1.529 301 Y CB 1.336 39.881 38.460 0.141 0.000 1.429 301 Y HN 0.548 nan 8.280 nan 0.000 0.563 302 S N 0.842 116.664 115.700 0.203 0.000 2.557 302 S HA 0.491 4.961 4.470 0.000 0.000 0.291 302 S C -1.531 173.124 174.600 0.093 0.000 1.116 302 S CA -0.905 57.358 58.200 0.105 0.000 0.992 302 S CB 1.452 64.677 63.200 0.041 0.000 1.028 302 S HN 0.520 nan 8.310 nan 0.000 0.484 303 L N 2.522 123.783 121.223 0.063 0.000 2.268 303 L HA 0.466 4.806 4.340 0.000 0.000 0.289 303 L C 0.154 177.042 176.870 0.030 0.000 1.064 303 L CA 0.042 54.899 54.840 0.029 0.000 0.824 303 L CB 0.474 42.542 42.059 0.015 0.000 1.202 303 L HN 0.928 nan 8.230 nan 0.000 0.433 304 E N 4.219 124.433 120.200 0.022 0.000 2.130 304 E HA 0.362 4.712 4.350 0.000 0.000 0.284 304 E C -1.405 175.215 176.600 0.034 0.000 1.018 304 E CA -0.568 55.860 56.400 0.047 0.000 0.817 304 E CB 0.989 30.723 29.700 0.057 0.000 1.078 304 E HN 0.484 nan 8.360 nan 0.000 0.396 305 V N 5.432 125.384 119.914 0.064 0.000 2.370 305 V HA 0.207 4.327 4.120 0.000 0.000 0.283 305 V C -0.217 175.879 176.094 0.002 0.000 1.023 305 V CA -0.575 61.731 62.300 0.010 0.000 0.857 305 V CB 1.305 33.140 31.823 0.020 0.000 0.985 305 V HN 0.702 nan 8.190 nan 0.000 0.443 306 Q N 4.309 124.066 119.800 -0.072 0.000 2.341 306 Q HA 0.595 4.936 4.340 0.000 0.000 0.268 306 Q C -1.489 174.365 176.000 -0.243 0.000 1.013 306 Q CA -0.743 54.916 55.803 -0.241 0.000 0.798 306 Q CB 1.860 30.512 28.738 -0.142 0.000 1.253 306 Q HN 0.704 nan 8.270 nan 0.000 0.457 307 L N 3.663 124.691 121.223 -0.325 0.000 2.289 307 L HA 0.572 4.912 4.340 0.000 0.000 0.285 307 L C -1.126 175.619 176.870 -0.209 0.000 1.049 307 L CA 0.360 55.066 54.840 -0.222 0.000 0.804 307 L CB 1.988 43.901 42.059 -0.242 0.000 1.195 307 L HN 0.624 nan 8.230 nan 0.000 0.428 308 T N 5.045 119.550 114.554 -0.082 0.000 2.815 308 T HA 0.836 5.186 4.350 0.000 0.000 0.289 308 T C -0.514 174.213 174.700 0.045 0.000 1.000 308 T CA -0.348 61.729 62.100 -0.038 0.000 0.958 308 T CB 1.292 70.150 68.868 -0.017 0.000 0.944 308 T HN 0.823 nan 8.240 nan 0.000 0.442 309 A N 3.176 126.018 122.820 0.036 0.000 2.413 309 A HA 0.771 5.091 4.320 0.000 0.000 0.307 309 A C -0.824 176.796 177.584 0.060 0.000 1.087 309 A CA -0.972 51.120 52.037 0.092 0.000 0.750 309 A CB 1.223 20.260 19.000 0.062 0.000 1.296 309 A HN 0.549 nan 8.150 nan 0.000 0.423 310 Q N 1.563 121.404 119.800 0.068 0.000 2.303 310 Q HA 0.469 4.809 4.340 0.000 0.000 0.257 310 Q C 0.129 176.154 176.000 0.041 0.000 0.941 310 Q CA -0.149 55.679 55.803 0.042 0.000 0.931 310 Q CB 1.301 30.057 28.738 0.029 0.000 1.215 310 Q HN 0.894 nan 8.270 nan 0.000 0.437 311 T N -2.444 112.130 114.554 0.032 0.000 2.927 311 T HA 0.343 4.693 4.350 0.000 0.000 0.286 311 T C 1.104 175.818 174.700 0.024 0.000 1.040 311 T CA -0.183 61.935 62.100 0.030 0.000 1.010 311 T CB 1.193 70.079 68.868 0.029 0.000 1.177 311 T HN 0.425 nan 8.240 nan 0.000 0.546 312 S N 0.079 115.793 115.700 0.022 0.000 2.515 312 S HA 0.022 4.492 4.470 0.000 0.000 0.231 312 S C 1.131 175.742 174.600 0.018 0.000 0.987 312 S CA 0.253 58.464 58.200 0.019 0.000 0.936 312 S CB -0.534 62.677 63.200 0.018 0.000 0.766 312 S HN 0.491 nan 8.310 nan 0.000 0.528 313 L N 1.732 122.967 121.223 0.020 0.000 2.965 313 L HA 0.549 4.889 4.340 0.000 0.000 0.254 313 L C 1.122 178.005 176.870 0.021 0.000 1.220 313 L CA 0.564 55.416 54.840 0.020 0.000 1.023 313 L CB -0.295 41.776 42.059 0.021 0.000 1.355 313 L HN 0.594 nan 8.230 nan 0.000 0.545 314 G N -0.560 108.253 108.800 0.021 0.000 2.592 314 G HA2 -0.112 3.848 3.960 0.000 0.000 0.684 314 G HA3 -0.112 3.848 3.960 0.000 0.000 0.684 314 G C -2.897 172.017 174.900 0.024 0.000 1.291 314 G CA -1.232 43.881 45.100 0.022 0.000 0.891 314 G HN -0.053 nan 8.290 nan 0.000 0.544 315 P HA 0.419 nan 4.420 nan 0.000 0.266 315 P C 0.175 177.490 177.300 0.025 0.000 1.195 315 P CA 0.340 63.455 63.100 0.025 0.000 0.768 315 P CB 1.110 32.825 31.700 0.024 0.000 0.838 316 V N -0.352 119.574 119.914 0.019 0.000 2.925 316 V HA 0.698 4.818 4.120 0.000 0.000 0.311 316 V C -0.605 175.479 176.094 -0.016 0.000 1.104 316 V CA -0.687 61.621 62.300 0.015 0.000 0.954 316 V CB 2.273 34.106 31.823 0.017 0.000 1.022 316 V HN 0.329 nan 8.190 nan 0.000 0.427 317 S N 2.067 117.755 115.700 -0.019 0.000 2.509 317 S HA 0.728 5.198 4.470 0.000 0.000 0.297 317 S C -0.980 173.525 174.600 -0.158 0.000 1.118 317 S CA -0.307 57.813 58.200 -0.134 0.000 1.074 317 S CB 1.468 64.627 63.200 -0.068 0.000 1.038 317 S HN 1.046 nan 8.310 nan 0.000 0.498 318 D N 0.652 120.845 120.400 -0.344 0.000 2.780 318 D HA 0.592 5.232 4.640 0.000 0.000 0.242 318 D C -1.653 174.386 176.300 -0.434 0.000 1.135 318 D CA -0.395 53.480 54.000 -0.207 0.000 0.859 318 D CB 0.818 41.573 40.800 -0.075 0.000 1.530 318 D HN 0.260 nan 8.370 nan 0.000 0.493 319 F N 2.572 122.555 119.950 0.056 0.000 2.540 319 F HA 0.531 5.058 4.527 0.000 0.000 0.317 319 F C -0.885 174.986 175.800 0.118 0.000 1.104 319 F CA -0.916 57.118 58.000 0.057 0.000 0.913 319 F CB 1.772 40.783 39.000 0.019 0.000 1.170 319 F HN 0.212 nan 8.300 nan 0.000 0.450 320 Y N 0.759 121.142 120.300 0.138 0.000 2.479 320 Y HA 0.574 5.124 4.550 0.000 0.000 0.338 320 Y C -1.090 174.844 175.900 0.057 0.000 1.055 320 Y CA -0.665 57.478 58.100 0.072 0.000 1.023 320 Y CB 2.165 40.640 38.460 0.025 0.000 1.287 320 Y HN 0.566 nan 8.280 nan 0.000 0.447 321 T N 6.903 121.253 114.554 -0.339 0.000 2.812 321 T HA 0.519 4.869 4.350 0.000 0.000 0.282 321 T C -1.727 172.866 174.700 -0.179 0.000 0.990 321 T CA -0.471 61.541 62.100 -0.146 0.000 0.960 321 T CB 1.171 69.964 68.868 -0.125 0.000 0.948 321 T HN 0.511 nan 8.240 nan 0.000 0.438 322 L N 5.976 127.227 121.223 0.048 0.000 2.325 322 L HA 0.596 4.936 4.340 0.000 0.000 0.281 322 L C -2.692 174.211 176.870 0.054 0.000 1.004 322 L CA -2.191 52.715 54.840 0.109 0.000 0.823 322 L CB 1.380 43.553 42.059 0.189 0.000 1.236 322 L HN 0.306 nan 8.230 nan 0.000 0.415 323 P HA 0.228 nan 4.420 nan 0.000 0.268 323 P C -1.352 175.976 177.300 0.046 0.000 1.205 323 P CA -0.118 63.010 63.100 0.047 0.000 0.771 323 P CB 0.952 32.680 31.700 0.048 0.000 0.858 324 V N 2.672 122.640 119.914 0.091 0.000 2.623 324 V HA 0.631 4.751 4.120 0.000 0.000 0.304 324 V C 0.394 176.584 176.094 0.159 0.000 1.054 324 V CA -0.528 61.821 62.300 0.082 0.000 0.882 324 V CB 2.057 33.936 31.823 0.093 0.000 1.002 324 V HN 0.706 nan 8.190 nan 0.000 0.424 325 G N 4.573 113.392 108.800 0.032 0.000 2.422 325 G HA2 0.675 4.635 3.960 0.000 0.000 0.317 325 G HA3 0.675 4.635 3.960 0.000 0.000 0.317 325 G C -0.600 174.309 174.900 0.015 0.000 1.210 325 G CA -0.549 44.607 45.100 0.093 0.000 0.930 325 G HN 0.670 nan 8.290 nan 0.000 0.468 326 I N 2.734 123.381 120.570 0.129 0.000 2.347 326 I HA 0.368 4.538 4.170 0.000 0.000 0.294 326 I C 0.398 176.481 176.117 -0.057 0.000 1.090 326 I CA -0.323 60.977 61.300 0.000 0.000 1.314 326 I CB 0.308 38.295 38.000 -0.022 0.000 1.423 326 I HN 0.650 nan 8.210 nan 0.000 0.503 327 R N 3.394 123.820 120.500 -0.123 0.000 2.690 327 R HA 0.680 5.020 4.340 0.000 0.000 0.269 327 R C -1.039 175.159 176.300 -0.169 0.000 1.037 327 R CA -0.873 55.121 56.100 -0.177 0.000 0.877 327 R CB 1.077 31.296 30.300 -0.136 0.000 1.255 327 R HN 0.397 nan 8.270 nan 0.000 0.467 328 T N -1.182 113.271 114.554 -0.168 0.000 2.924 328 T HA 0.797 5.147 4.350 0.000 0.000 0.291 328 T C -0.743 173.878 174.700 -0.132 0.000 1.045 328 T CA -0.832 61.187 62.100 -0.134 0.000 1.015 328 T CB 1.817 70.621 68.868 -0.107 0.000 1.103 328 T HN 0.400 nan 8.240 nan 0.000 0.496 329 V N 0.959 120.793 119.914 -0.132 0.000 2.709 329 V HA 0.908 5.028 4.120 0.000 0.000 0.308 329 V C -0.082 175.888 176.094 -0.207 0.000 1.062 329 V CA -0.694 61.505 62.300 -0.169 0.000 0.901 329 V CB 1.243 32.974 31.823 -0.153 0.000 1.003 329 V HN 1.467 nan 8.190 nan 0.000 0.425 330 A N 3.598 126.246 122.820 -0.287 0.000 2.606 330 A HA 0.950 5.270 4.320 0.000 0.000 0.293 330 A C -1.651 175.723 177.584 -0.349 0.000 1.082 330 A CA -0.602 51.288 52.037 -0.245 0.000 0.685 330 A CB 2.239 21.166 19.000 -0.122 0.000 1.284 330 A HN 0.734 nan 8.150 nan 0.000 0.408 331 V N 1.425 121.201 119.914 -0.230 0.000 2.638 331 V HA 0.688 4.809 4.120 0.000 0.000 0.306 331 V C 0.554 176.630 176.094 -0.029 0.000 1.052 331 V CA 0.164 62.364 62.300 -0.165 0.000 0.885 331 V CB 1.719 33.454 31.823 -0.147 0.000 0.999 331 V HN 1.336 nan 8.190 nan 0.000 0.424 332 T N 1.246 115.820 114.554 0.033 0.000 2.864 332 T HA 0.422 4.772 4.350 0.000 0.000 0.276 332 T C 0.826 175.592 174.700 0.110 0.000 1.006 332 T CA -0.557 61.583 62.100 0.066 0.000 0.970 332 T CB 1.177 70.090 68.868 0.076 0.000 1.420 332 T HN 0.474 nan 8.240 nan 0.000 0.601 333 K N 0.369 120.845 120.400 0.128 0.000 2.366 333 K HA 0.063 4.383 4.320 0.000 0.000 0.198 333 K C 1.656 178.434 176.600 0.296 0.000 1.044 333 K CA 1.090 57.483 56.287 0.175 0.000 0.973 333 K CB 0.036 32.621 32.500 0.142 0.000 0.767 333 K HN 0.682 nan 8.250 nan 0.000 0.475 334 S N -1.069 114.779 115.700 0.247 0.000 2.817 334 S HA 0.157 4.627 4.470 0.000 0.000 0.262 334 S C 0.200 174.923 174.600 0.205 0.000 1.051 334 S CA -0.663 57.688 58.200 0.253 0.000 1.185 334 S CB 0.580 63.902 63.200 0.204 0.000 1.152 334 S HN 0.027 nan 8.310 nan 0.000 0.653 335 Q N 0.245 120.162 119.800 0.196 0.000 2.423 335 Q HA 0.561 4.901 4.340 0.000 0.000 0.278 335 Q C -2.175 173.978 176.000 0.255 0.000 1.097 335 Q CA -0.674 55.255 55.803 0.209 0.000 0.809 335 Q CB 2.380 31.212 28.738 0.157 0.000 1.391 335 Q HN 0.368 nan 8.270 nan 0.000 0.428 336 F N 2.541 122.603 119.950 0.186 0.000 2.402 336 F HA 0.450 4.977 4.527 0.000 0.000 0.355 336 F C -1.371 174.552 175.800 0.205 0.000 1.123 336 F CA -0.588 57.542 58.000 0.217 0.000 1.021 336 F CB 0.640 39.841 39.000 0.335 0.000 1.160 336 F HN 0.312 nan 8.300 nan 0.000 0.451 337 L N 7.620 128.893 121.223 0.084 0.000 2.287 337 L HA 0.519 4.859 4.340 0.000 0.000 0.287 337 L C -0.610 176.309 176.870 0.082 0.000 1.022 337 L CA -0.629 54.286 54.840 0.126 0.000 0.814 337 L CB 1.665 43.748 42.059 0.039 0.000 1.217 337 L HN 0.504 nan 8.230 nan 0.000 0.420 338 I N 4.325 124.991 120.570 0.159 0.000 2.362 338 I HA 0.271 4.441 4.170 0.000 0.000 0.289 338 I C -0.120 176.019 176.117 0.037 0.000 0.994 338 I CA -0.547 60.774 61.300 0.034 0.000 1.158 338 I CB 1.364 39.320 38.000 -0.074 0.000 1.315 338 I HN 0.677 nan 8.210 nan 0.000 0.451 339 N N 5.004 123.644 118.700 -0.100 0.000 2.735 339 N HA -0.203 4.537 4.740 0.000 0.000 0.248 339 N C 0.920 176.460 175.510 0.051 0.000 1.083 339 N CA 1.294 54.260 53.050 -0.139 0.000 0.703 339 N CB -1.177 36.981 38.487 -0.550 0.000 1.005 339 N HN 1.160 nan 8.380 nan 0.000 0.550 340 G N -1.489 107.345 108.800 0.058 0.000 2.184 340 G HA2 -0.360 3.600 3.960 0.000 0.000 0.264 340 G HA3 -0.360 3.600 3.960 0.000 0.000 0.264 340 G C -0.039 174.945 174.900 0.139 0.000 0.975 340 G CA 0.936 46.088 45.100 0.086 0.000 0.642 340 G HN 0.530 nan 8.290 nan 0.000 0.536 341 K N 0.838 121.364 120.400 0.209 0.000 2.221 341 K HA 0.474 4.794 4.320 0.000 0.000 0.258 341 K C -2.755 173.989 176.600 0.240 0.000 0.944 341 K CA -2.199 54.225 56.287 0.228 0.000 0.823 341 K CB 2.176 34.862 32.500 0.311 0.000 1.113 341 K HN -0.086 nan 8.250 nan 0.000 0.431 342 P HA -0.072 nan 4.420 nan 0.000 0.262 342 P C -1.090 176.386 177.300 0.294 0.000 1.182 342 P CA 0.257 63.490 63.100 0.221 0.000 0.761 342 P CB 0.206 31.990 31.700 0.140 0.000 0.795 343 F N 4.729 124.777 119.950 0.164 0.000 2.522 343 F HA 0.582 5.109 4.527 0.000 0.000 0.324 343 F C -1.358 174.492 175.800 0.083 0.000 1.077 343 F CA -1.156 56.891 58.000 0.079 0.000 0.944 343 F CB 1.279 40.297 39.000 0.030 0.000 1.175 343 F HN 0.228 nan 8.300 nan 0.000 0.468 344 Y N 5.659 125.326 120.300 -1.055 0.000 2.346 344 Y HA 0.477 5.027 4.550 0.000 0.000 0.332 344 Y C -1.475 173.694 175.900 -1.219 0.000 0.985 344 Y CA -1.140 56.496 58.100 -0.772 0.000 1.112 344 Y CB 0.855 39.106 38.460 -0.347 0.000 1.170 344 Y HN 0.498 nan 8.280 nan 0.000 0.447 345 F N 5.678 124.816 119.950 -1.354 0.000 2.506 345 F HA 0.174 4.701 4.527 0.000 0.000 0.371 345 F C 0.012 175.279 175.800 -0.888 0.000 1.078 345 F CA 0.213 57.616 58.000 -0.996 0.000 1.195 345 F CB 0.242 38.870 39.000 -0.620 0.000 1.099 345 F HN 0.554 nan 8.300 nan 0.000 0.548 346 H N 1.132 119.889 119.070 -0.522 0.000 2.953 346 H HA 0.759 5.315 4.556 0.000 0.000 0.290 346 H C -0.223 174.635 175.328 -0.784 0.000 1.113 346 H CA -0.950 54.645 56.048 -0.754 0.000 1.454 346 H CB 0.750 29.948 29.762 -0.940 0.000 1.525 346 H HN 0.652 nan 8.280 nan 0.000 0.505 347 G N 0.834 109.519 108.800 -0.191 0.000 2.846 347 G HA2 0.617 4.577 3.960 0.000 0.000 0.299 347 G HA3 0.617 4.577 3.960 0.000 0.000 0.299 347 G C -1.110 173.974 174.900 0.307 0.000 1.242 347 G CA -0.374 44.801 45.100 0.126 0.000 0.800 347 G HN 0.944 nan 8.290 nan 0.000 0.538 348 V N -2.551 117.504 119.914 0.234 0.000 3.160 348 V HA 0.719 4.839 4.120 0.000 0.000 0.310 348 V C -1.114 175.021 176.094 0.067 0.000 1.181 348 V CA -1.364 61.036 62.300 0.167 0.000 1.047 348 V CB 1.906 33.854 31.823 0.208 0.000 1.068 348 V HN 0.651 nan 8.190 nan 0.000 0.441 349 N N 1.283 119.948 118.700 -0.058 0.000 2.466 349 N HA 0.578 5.318 4.740 0.000 0.000 0.294 349 N C -0.798 174.454 175.510 -0.431 0.000 1.129 349 N CA -0.617 52.299 53.050 -0.223 0.000 0.931 349 N CB 2.296 40.653 38.487 -0.217 0.000 1.193 349 N HN 0.689 nan 8.380 nan 0.000 0.500 350 K N 0.176 120.261 120.400 -0.524 0.000 2.208 350 K HA 0.532 4.852 4.320 0.000 0.000 0.241 350 K C -0.945 175.237 176.600 -0.697 0.000 1.087 350 K CA -0.696 55.259 56.287 -0.553 0.000 0.883 350 K CB 1.688 33.788 32.500 -0.666 0.000 1.360 350 K HN 0.442 nan 8.250 nan 0.000 0.496 351 H N 0.618 119.371 119.070 -0.528 0.000 3.042 351 H HA 0.147 4.703 4.556 0.000 0.000 0.346 351 H C -1.251 173.753 175.328 -0.542 0.000 1.294 351 H CA -0.544 55.179 56.048 -0.541 0.000 1.141 351 H CB 2.017 31.429 29.762 -0.583 0.000 1.872 351 H HN 0.517 nan 8.280 nan 0.000 0.541 352 E N 2.110 122.150 120.200 -0.266 0.000 1.996 352 E HA 0.179 4.529 4.350 0.000 0.000 0.280 352 E C -0.658 175.879 176.600 -0.105 0.000 1.092 352 E CA -0.033 56.206 56.400 -0.269 0.000 0.862 352 E CB 0.793 30.358 29.700 -0.226 0.000 1.066 352 E HN 0.323 nan 8.360 nan 0.000 0.396 353 D N 2.332 122.666 120.400 -0.111 0.000 2.812 353 D HA 0.443 5.083 4.640 0.000 0.000 0.210 353 D C -1.818 174.449 176.300 -0.054 0.000 1.260 353 D CA -0.365 53.610 54.000 -0.041 0.000 0.817 353 D CB 1.658 42.526 40.800 0.113 0.000 1.694 353 D HN 0.416 nan 8.370 nan 0.000 0.530 354 A N 2.852 125.619 122.820 -0.088 0.000 2.599 354 A HA 0.501 4.821 4.320 0.000 0.000 0.290 354 A C -1.166 176.376 177.584 -0.071 0.000 1.101 354 A CA -0.762 51.233 52.037 -0.070 0.000 0.674 354 A CB 1.247 20.185 19.000 -0.104 0.000 1.277 354 A HN 0.448 nan 8.150 nan 0.000 0.419 355 D N 0.908 121.282 120.400 -0.044 0.000 2.472 355 D HA 0.284 4.924 4.640 0.000 0.000 0.237 355 D C 1.384 177.652 176.300 -0.052 0.000 1.141 355 D CA 0.767 54.747 54.000 -0.033 0.000 0.875 355 D CB 0.429 41.213 40.800 -0.026 0.000 1.192 355 D HN 0.518 nan 8.370 nan 0.000 0.450 356 I N 0.634 121.182 120.570 -0.037 0.000 4.381 356 I HA -0.447 3.723 4.170 0.000 0.000 0.070 356 I C 1.946 178.023 176.117 -0.067 0.000 0.586 356 I CA 2.016 63.296 61.300 -0.034 0.000 1.055 356 I CB -1.562 36.423 38.000 -0.024 0.000 0.943 356 I HN 0.659 nan 8.210 nan 0.000 0.171 357 R N 2.735 123.171 120.500 -0.107 0.000 2.299 357 R HA 0.296 4.636 4.340 0.000 0.000 0.197 357 R C 1.506 177.635 176.300 -0.284 0.000 0.971 357 R CA 1.274 57.288 56.100 -0.142 0.000 1.030 357 R CB -0.130 30.097 30.300 -0.122 0.000 0.932 357 R HN 0.744 nan 8.270 nan 0.000 0.477 358 G N 2.380 110.906 108.800 -0.456 0.000 2.602 358 G HA2 -0.414 3.546 3.960 0.000 0.000 0.310 358 G HA3 -0.414 3.546 3.960 0.000 0.000 0.310 358 G C 0.305 174.832 174.900 -0.622 0.000 1.183 358 G CA 0.718 45.179 45.100 -1.064 0.000 0.979 358 G HN 0.400 nan 8.290 nan 0.000 0.545 359 K N 1.854 121.952 120.400 -0.504 0.000 2.410 359 K HA 0.363 4.684 4.320 0.000 0.000 0.200 359 K C 1.322 177.832 176.600 -0.149 0.000 1.023 359 K CA 0.338 56.495 56.287 -0.217 0.000 1.149 359 K CB 0.494 32.944 32.500 -0.082 0.000 0.859 359 K HN 0.673 nan 8.250 nan 0.000 0.514 360 G N 1.450 110.150 108.800 -0.168 0.000 2.380 360 G HA2 -0.020 3.940 3.960 0.000 0.000 0.242 360 G HA3 -0.020 3.940 3.960 0.000 0.000 0.242 360 G C -0.572 174.280 174.900 -0.080 0.000 1.298 360 G CA -0.344 44.699 45.100 -0.094 0.000 0.878 360 G HN 0.174 nan 8.290 nan 0.000 0.542 361 F N 1.437 121.283 119.950 -0.173 0.000 2.518 361 F HA 0.401 4.928 4.527 0.000 0.000 0.359 361 F C 0.208 175.869 175.800 -0.231 0.000 1.118 361 F CA -0.080 57.781 58.000 -0.231 0.000 1.287 361 F CB 1.324 40.163 39.000 -0.268 0.000 1.132 361 F HN 0.463 nan 8.300 nan 0.000 0.587 362 D N 4.262 123.913 120.400 -1.249 0.000 2.861 362 D HA 0.148 4.788 4.640 0.000 0.000 0.216 362 D C -0.309 175.442 176.300 -0.915 0.000 1.323 362 D CA -0.505 53.032 54.000 -0.772 0.000 0.917 362 D CB 0.486 41.062 40.800 -0.373 0.000 1.582 362 D HN 0.550 nan 8.370 nan 0.000 0.576 363 W N 2.884 123.905 121.300 -0.464 0.000 2.355 363 W HA 0.041 4.701 4.660 0.000 0.000 0.309 363 W C -0.874 175.531 176.519 -0.190 0.000 1.206 363 W CA 0.869 58.055 57.345 -0.264 0.000 1.284 363 W CB -1.003 28.433 29.460 -0.039 0.000 1.145 363 W HN 0.499 nan 8.180 nan 0.000 0.502 364 P HA -0.208 nan 4.420 nan 0.000 0.215 364 P C 1.587 178.864 177.300 -0.038 0.000 1.157 364 P CA 1.701 64.817 63.100 0.027 0.000 0.868 364 P CB -0.260 31.445 31.700 0.009 0.000 0.788 365 L N -1.668 119.487 121.223 -0.114 0.000 2.083 365 L HA -0.174 4.166 4.340 0.000 0.000 0.209 365 L C 2.376 179.157 176.870 -0.149 0.000 1.083 365 L CA 0.892 55.647 54.840 -0.143 0.000 0.752 365 L CB -0.896 41.051 42.059 -0.187 0.000 0.899 365 L HN 0.007 nan 8.230 nan 0.000 0.433 366 L N -0.546 120.562 121.223 -0.192 0.000 1.989 366 L HA -0.185 4.155 4.340 0.000 0.000 0.211 366 L C 2.371 179.282 176.870 0.068 0.000 1.071 366 L CA 1.813 56.592 54.840 -0.102 0.000 0.749 366 L CB -0.442 41.512 42.059 -0.175 0.000 0.890 366 L HN -0.075 nan 8.230 nan 0.000 0.431 367 V N -0.244 119.713 119.914 0.071 0.000 2.343 367 V HA -0.263 3.857 4.120 0.000 0.000 0.247 367 V C 2.660 178.798 176.094 0.073 0.000 1.051 367 V CA 1.921 64.276 62.300 0.092 0.000 1.036 367 V CB -0.781 31.106 31.823 0.107 0.000 0.654 367 V HN 0.474 nan 8.190 nan 0.000 0.451 368 K N 0.848 121.257 120.400 0.015 0.000 2.032 368 K HA -0.218 4.102 4.320 0.000 0.000 0.209 368 K C 1.719 178.289 176.600 -0.050 0.000 1.048 368 K CA 2.016 58.287 56.287 -0.027 0.000 0.927 368 K CB -0.685 31.775 32.500 -0.066 0.000 0.712 368 K HN 0.441 nan 8.250 nan 0.000 0.441 369 D N -0.636 119.716 120.400 -0.081 0.000 2.117 369 D HA -0.133 4.507 4.640 0.000 0.000 0.197 369 D C 1.724 177.855 176.300 -0.280 0.000 0.987 369 D CA 1.140 55.020 54.000 -0.200 0.000 0.829 369 D CB -0.234 40.299 40.800 -0.445 0.000 0.961 369 D HN 0.217 nan 8.370 nan 0.000 0.460 370 F N 0.929 120.751 119.950 -0.213 0.000 2.186 370 F HA -0.075 4.452 4.527 0.000 0.000 0.299 370 F C 2.205 177.990 175.800 -0.024 0.000 1.090 370 F CA 0.607 58.480 58.000 -0.211 0.000 1.307 370 F CB -0.209 38.465 39.000 -0.544 0.000 1.019 370 F HN -0.091 nan 8.300 nan 0.000 0.489 371 N N 0.493 119.295 118.700 0.170 0.000 2.149 371 N HA -0.152 4.588 4.740 0.000 0.000 0.188 371 N C 1.986 177.606 175.510 0.183 0.000 1.019 371 N CA 1.178 54.337 53.050 0.182 0.000 0.857 371 N CB -0.605 37.954 38.487 0.121 0.000 0.997 371 N HN 0.285 nan 8.380 nan 0.000 0.426 372 L N 0.476 121.745 121.223 0.076 0.000 2.056 372 L HA -0.071 4.269 4.340 0.000 0.000 0.207 372 L C 2.230 179.329 176.870 0.381 0.000 1.078 372 L CA 0.599 55.505 54.840 0.110 0.000 0.749 372 L CB -0.393 41.489 42.059 -0.296 0.000 0.901 372 L HN 0.109 nan 8.230 nan 0.000 0.433 373 L N -0.612 120.749 121.223 0.230 0.000 2.012 373 L HA -0.238 4.102 4.340 0.000 0.000 0.210 373 L C 2.881 179.951 176.870 0.333 0.000 1.073 373 L CA 1.453 56.438 54.840 0.241 0.000 0.748 373 L CB -0.495 41.535 42.059 -0.049 0.000 0.891 373 L HN 0.202 nan 8.230 nan 0.000 0.431 374 R N -1.194 119.462 120.500 0.259 0.000 2.075 374 R HA -0.223 4.117 4.340 0.000 0.000 0.232 374 R C 2.105 178.777 176.300 0.620 0.000 1.126 374 R CA 1.900 58.146 56.100 0.243 0.000 0.963 374 R CB -0.553 29.765 30.300 0.029 0.000 0.858 374 R HN 0.432 nan 8.270 nan 0.000 0.435 375 W N 1.453 122.983 121.300 0.383 0.000 2.335 375 W HA -0.224 4.436 4.660 0.000 0.000 0.311 375 W C 1.748 178.606 176.519 0.566 0.000 1.213 375 W CA 1.087 58.687 57.345 0.425 0.000 1.274 375 W CB -0.349 29.262 29.460 0.252 0.000 1.148 375 W HN 0.029 nan 8.180 nan 0.000 0.498 376 L N 1.609 123.184 121.223 0.585 0.000 2.265 376 L HA 0.131 4.471 4.340 0.000 0.000 0.215 376 L C 2.020 179.066 176.870 0.293 0.000 1.117 376 L CA 2.213 57.238 54.840 0.308 0.000 0.782 376 L CB -0.993 41.372 42.059 0.510 0.000 0.914 376 L HN 0.388 nan 8.230 nan 0.000 0.441 377 G N -1.705 107.266 108.800 0.285 0.000 2.136 377 G HA2 -0.232 3.728 3.960 0.000 0.000 0.242 377 G HA3 -0.232 3.728 3.960 0.000 0.000 0.242 377 G C 0.495 175.465 174.900 0.116 0.000 0.989 377 G CA 0.265 45.142 45.100 -0.371 0.000 0.682 377 G HN 0.904 nan 8.290 nan 0.000 0.522 378 A N 0.349 123.407 122.820 0.398 0.000 2.450 378 A HA 0.572 4.893 4.320 0.000 0.000 0.255 378 A C 1.157 178.886 177.584 0.243 0.000 1.096 378 A CA 0.673 52.922 52.037 0.353 0.000 0.778 378 A CB 0.237 19.480 19.000 0.405 0.000 1.031 378 A HN 1.080 nan 8.150 nan 0.000 0.494 379 N N 0.958 119.638 118.700 -0.034 0.000 2.203 379 N HA 0.431 5.171 4.740 0.000 0.000 0.207 379 N C -0.288 175.229 175.510 0.012 0.000 1.130 379 N CA 0.576 53.608 53.050 -0.029 0.000 0.861 379 N CB 0.519 38.798 38.487 -0.347 0.000 1.005 379 N HN 0.866 nan 8.380 nan 0.000 0.507 380 A N -0.223 122.617 122.820 0.034 0.000 2.605 380 A HA 0.655 4.975 4.320 0.000 0.000 0.294 380 A C -1.865 175.791 177.584 0.120 0.000 1.062 380 A CA -0.967 51.094 52.037 0.041 0.000 0.682 380 A CB 0.633 19.733 19.000 0.165 0.000 1.278 380 A HN 0.312 nan 8.150 nan 0.000 0.410 381 F N -0.809 119.129 119.950 -0.021 0.000 2.645 381 F HA 0.865 5.392 4.527 0.000 0.000 0.310 381 F C -0.655 175.058 175.800 -0.144 0.000 1.102 381 F CA -0.920 57.022 58.000 -0.097 0.000 0.952 381 F CB 1.459 40.351 39.000 -0.180 0.000 1.326 381 F HN 0.748 nan 8.300 nan 0.000 0.456 382 R N 0.630 121.179 120.500 0.081 0.000 2.428 382 R HA 0.459 4.799 4.340 0.000 0.000 0.294 382 R C -0.188 176.029 176.300 -0.138 0.000 1.000 382 R CA -0.157 55.895 56.100 -0.080 0.000 0.960 382 R CB 1.501 31.753 30.300 -0.080 0.000 1.076 382 R HN 0.963 nan 8.270 nan 0.000 0.475 383 T N 1.106 115.425 114.554 -0.392 0.000 4.309 383 T HA 0.075 4.425 4.350 0.000 0.000 0.242 383 T C -0.034 174.193 174.700 -0.788 0.000 1.142 383 T CA -0.580 60.928 62.100 -0.986 0.000 1.042 383 T CB -0.688 67.452 68.868 -1.214 0.000 1.366 383 T HN 0.529 nan 8.240 nan 0.000 0.942 384 S N 2.292 117.602 115.700 -0.649 0.000 2.525 384 S HA 0.071 4.541 4.470 0.000 0.000 0.285 384 S C -0.087 173.669 174.600 -1.407 0.000 1.283 384 S CA -0.621 57.001 58.200 -0.964 0.000 1.072 384 S CB -0.071 62.534 63.200 -0.991 0.000 0.867 384 S HN 0.693 nan 8.310 nan 0.000 0.492 385 H N 3.477 121.847 119.070 -1.167 0.000 2.471 385 H HA 0.343 4.899 4.556 0.000 0.000 0.234 385 H C -1.045 174.017 175.328 -0.444 0.000 1.388 385 H CA -0.348 55.399 56.048 -0.501 0.000 1.198 385 H CB -0.293 29.452 29.762 -0.029 0.000 1.714 385 H HN 0.889 nan 8.280 nan 0.000 0.536 386 Y N -2.979 117.198 120.300 -0.205 0.000 2.717 386 Y HA 0.358 4.909 4.550 0.000 0.000 0.345 386 Y C -3.372 172.426 175.900 -0.170 0.000 1.187 386 Y CA -2.944 54.978 58.100 -0.296 0.000 1.128 386 Y CB 0.097 37.998 38.460 -0.931 0.000 1.360 386 Y HN -0.095 nan 8.280 nan 0.000 0.467 387 P HA 0.118 nan 4.420 nan 0.000 0.268 387 P C -0.825 176.698 177.300 0.373 0.000 1.204 387 P CA 0.474 63.658 63.100 0.140 0.000 0.768 387 P CB 0.333 32.141 31.700 0.181 0.000 0.842 388 Y N 0.920 121.286 120.300 0.109 0.000 2.340 388 Y HA 0.474 5.024 4.550 0.000 0.000 0.327 388 Y C 1.245 177.198 175.900 0.088 0.000 1.321 388 Y CA -2.285 55.889 58.100 0.123 0.000 1.433 388 Y CB -0.296 38.204 38.460 0.067 0.000 1.373 388 Y HN 0.375 nan 8.280 nan 0.000 0.538 389 A N 0.824 123.778 122.820 0.224 0.000 2.561 389 A HA -0.023 4.297 4.320 0.000 0.000 0.234 389 A C 1.264 178.840 177.584 -0.012 0.000 1.055 389 A CA 0.043 52.109 52.037 0.048 0.000 0.756 389 A CB -0.184 18.793 19.000 -0.038 0.000 0.986 389 A HN 0.894 nan 8.150 nan 0.000 0.505 390 E N 1.228 121.372 120.200 -0.094 0.000 2.130 390 E HA -0.243 4.107 4.350 0.000 0.000 0.196 390 E C 1.524 177.947 176.600 -0.295 0.000 0.998 390 E CA 1.934 58.229 56.400 -0.175 0.000 0.806 390 E CB -0.103 29.459 29.700 -0.231 0.000 0.738 390 E HN 0.858 nan 8.360 nan 0.000 0.459 391 E N 0.169 120.153 120.200 -0.359 0.000 2.160 391 E HA -0.177 4.173 4.350 0.000 0.000 0.195 391 E C 2.020 178.568 176.600 -0.087 0.000 0.991 391 E CA 1.025 57.271 56.400 -0.258 0.000 0.810 391 E CB -0.080 29.392 29.700 -0.380 0.000 0.742 391 E HN 0.089 nan 8.360 nan 0.000 0.466 392 V N 0.540 120.456 119.914 0.003 0.000 2.358 392 V HA -0.255 3.865 4.120 0.000 0.000 0.246 392 V C 2.105 178.236 176.094 0.062 0.000 1.047 392 V CA 1.431 63.815 62.300 0.140 0.000 1.035 392 V CB -0.388 31.614 31.823 0.298 0.000 0.658 392 V HN 0.330 nan 8.190 nan 0.000 0.452 393 M N -0.351 119.184 119.600 -0.108 0.000 2.117 393 M HA -0.195 4.285 4.480 0.000 0.000 0.262 393 M C 2.250 178.326 176.300 -0.374 0.000 1.065 393 M CA 1.675 56.740 55.300 -0.392 0.000 1.114 393 M CB -1.266 30.829 32.600 -0.842 0.000 1.361 393 M HN 0.433 nan 8.290 nan 0.000 0.408 394 Q N -0.642 119.021 119.800 -0.228 0.000 2.124 394 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 394 Q C 2.156 178.121 176.000 -0.058 0.000 0.977 394 Q CA 1.107 56.874 55.803 -0.060 0.000 0.850 394 Q CB -0.122 28.585 28.738 -0.053 0.000 0.901 394 Q HN 0.461 nan 8.270 nan 0.000 0.429 395 M N -0.185 119.301 119.600 -0.190 0.000 2.132 395 M HA -0.175 4.305 4.480 0.000 0.000 0.263 395 M C 2.365 178.488 176.300 -0.295 0.000 1.065 395 M CA 0.993 56.021 55.300 -0.453 0.000 1.122 395 M CB -0.951 30.898 32.600 -1.252 0.000 1.365 395 M HN 0.380 nan 8.290 nan 0.000 0.411 396 C N 0.947 120.195 119.300 -0.087 0.000 2.413 396 C HA -0.183 4.277 4.460 0.000 0.000 0.276 396 C C 2.312 177.460 174.990 0.263 0.000 1.236 396 C CA 0.936 60.064 59.018 0.184 0.000 1.735 396 C CB -1.146 26.633 27.740 0.065 0.000 2.031 396 C HN 0.532 nan 8.230 nan 0.000 0.474 397 D N 0.218 120.733 120.400 0.190 0.000 2.149 397 D HA -0.112 4.528 4.640 0.000 0.000 0.198 397 D C 2.359 178.935 176.300 0.460 0.000 0.990 397 D CA 1.211 55.418 54.000 0.344 0.000 0.839 397 D CB -0.389 40.534 40.800 0.205 0.000 0.948 397 D HN 0.558 nan 8.370 nan 0.000 0.460 398 R N -1.002 119.668 120.500 0.283 0.000 2.161 398 R HA 0.006 4.346 4.340 0.000 0.000 0.213 398 R C 1.484 177.856 176.300 0.120 0.000 1.055 398 R CA 0.476 56.689 56.100 0.189 0.000 0.996 398 R CB 0.032 30.421 30.300 0.149 0.000 0.901 398 R HN 0.251 nan 8.270 nan 0.000 0.456 399 Y N -0.477 119.835 120.300 0.019 0.000 2.462 399 Y HA 0.263 4.813 4.550 0.000 0.000 0.261 399 Y C 1.439 177.349 175.900 0.017 0.000 1.146 399 Y CA 0.290 58.393 58.100 0.005 0.000 1.283 399 Y CB 0.645 39.140 38.460 0.057 0.000 1.090 399 Y HN 0.228 nan 8.280 nan 0.000 0.526 400 G N 0.762 109.675 108.800 0.189 0.000 2.160 400 G HA2 -0.239 3.722 3.960 0.000 0.000 0.244 400 G HA3 -0.239 3.722 3.960 0.000 0.000 0.244 400 G C -0.208 174.803 174.900 0.185 0.000 1.022 400 G CA -0.053 45.034 45.100 -0.022 0.000 0.741 400 G HN 0.122 nan 8.290 nan 0.000 0.508 401 I N 1.864 122.609 120.570 0.291 0.000 2.297 401 I HA 0.341 4.511 4.170 0.000 0.000 0.291 401 I C 1.318 177.479 176.117 0.073 0.000 1.033 401 I CA -1.059 60.360 61.300 0.199 0.000 1.253 401 I CB 0.579 38.730 38.000 0.252 0.000 1.396 401 I HN 0.237 nan 8.210 nan 0.000 0.476 402 V N 6.448 126.380 119.914 0.029 0.000 3.003 402 V HA 0.564 4.684 4.120 0.000 0.000 0.305 402 V C 0.045 175.988 176.094 -0.251 0.000 1.078 402 V CA -0.326 61.931 62.300 -0.071 0.000 1.083 402 V CB 1.694 33.428 31.823 -0.148 0.000 1.039 402 V HN 0.380 nan 8.190 nan 0.000 0.481 403 V N 4.784 124.523 119.914 -0.292 0.000 2.588 403 V HA 0.463 4.583 4.120 0.000 0.000 0.304 403 V C -0.090 175.839 176.094 -0.276 0.000 1.042 403 V CA -0.421 61.623 62.300 -0.426 0.000 0.877 403 V CB 1.665 33.179 31.823 -0.516 0.000 0.996 403 V HN 0.837 nan 8.190 nan 0.000 0.425 404 I N 3.756 124.181 120.570 -0.242 0.000 2.291 404 I HA 0.262 4.432 4.170 0.000 0.000 0.292 404 I C -0.206 175.784 176.117 -0.212 0.000 1.064 404 I CA -0.067 61.111 61.300 -0.204 0.000 1.269 404 I CB 0.751 38.634 38.000 -0.195 0.000 1.418 404 I HN 0.530 nan 8.210 nan 0.000 0.485 405 D N 7.062 127.340 120.400 -0.202 0.000 2.313 405 D HA 0.143 4.783 4.640 0.000 0.000 0.239 405 D C -0.388 175.946 176.300 0.058 0.000 1.142 405 D CA -0.003 53.929 54.000 -0.113 0.000 0.847 405 D CB 0.883 41.622 40.800 -0.101 0.000 1.082 405 D HN 0.497 nan 8.370 nan 0.000 0.480 406 E N 2.785 122.970 120.200 -0.025 0.000 2.187 406 E HA 0.352 4.702 4.350 0.000 0.000 0.268 406 E C -0.149 176.477 176.600 0.043 0.000 0.896 406 E CA -0.917 55.504 56.400 0.034 0.000 0.766 406 E CB 0.890 30.580 29.700 -0.017 0.000 1.142 406 E HN 0.621 nan 8.360 nan 0.000 0.408 407 C N 2.502 121.869 119.300 0.111 0.000 2.553 407 C HA 0.512 4.972 4.460 0.000 0.000 0.345 407 C C -1.583 173.451 174.990 0.073 0.000 1.369 407 C CA -1.438 57.636 59.018 0.092 0.000 2.447 407 C CB 0.142 27.943 27.740 0.101 0.000 2.358 407 C HN 0.624 nan 8.230 nan 0.000 0.676 408 P HA 0.183 nan 4.420 nan 0.000 0.269 408 P C 0.704 177.997 177.300 -0.011 0.000 1.461 408 P CA 0.739 63.877 63.100 0.064 0.000 0.809 408 P CB -0.797 30.977 31.700 0.123 0.000 1.503 409 G N 0.088 108.877 108.800 -0.018 0.000 3.284 409 G HA2 0.228 4.188 3.960 0.000 0.000 0.251 409 G HA3 0.228 4.188 3.960 0.000 0.000 0.251 409 G C -0.288 174.656 174.900 0.074 0.000 0.913 409 G CA 0.028 45.116 45.100 -0.020 0.000 1.947 409 G HN 0.314 nan 8.290 nan 0.000 0.635 410 V N -0.069 119.865 119.914 0.034 0.000 2.715 410 V HA 0.778 4.898 4.120 0.000 0.000 0.310 410 V C 0.960 177.101 176.094 0.078 0.000 1.054 410 V CA 0.673 63.007 62.300 0.057 0.000 0.928 410 V CB 1.521 33.399 31.823 0.092 0.000 1.007 410 V HN 1.199 nan 8.190 nan 0.000 0.437 411 G N 5.061 113.970 108.800 0.182 0.000 2.132 411 G HA2 -0.170 3.790 3.960 0.000 0.000 0.234 411 G HA3 -0.170 3.790 3.960 0.000 0.000 0.234 411 G C -0.233 174.797 174.900 0.216 0.000 0.989 411 G CA 0.165 45.447 45.100 0.303 0.000 0.676 411 G HN 0.878 nan 8.290 nan 0.000 0.522 412 L N 1.097 122.396 121.223 0.127 0.000 2.437 412 L HA 0.621 4.961 4.340 0.000 0.000 0.243 412 L C 1.760 178.758 176.870 0.213 0.000 1.346 412 L CA 0.980 55.854 54.840 0.056 0.000 1.233 412 L CB 0.109 42.057 42.059 -0.185 0.000 1.436 412 L HN 0.418 nan 8.230 nan 0.000 0.416 413 A N 1.437 124.406 122.820 0.247 0.000 2.169 413 A HA 0.357 4.677 4.320 0.000 0.000 0.210 413 A C 0.779 178.302 177.584 -0.103 0.000 1.168 413 A CA 0.288 52.370 52.037 0.075 0.000 0.813 413 A CB 0.234 19.226 19.000 -0.014 0.000 0.861 413 A HN 0.372 nan 8.150 nan 0.000 0.481 414 L N -0.693 120.321 121.223 -0.348 0.000 2.334 414 L HA 0.348 4.688 4.340 0.000 0.000 0.273 414 L C -1.842 174.828 176.870 -0.333 0.000 1.013 414 L CA -2.286 52.220 54.840 -0.558 0.000 0.816 414 L CB 1.753 43.132 42.059 -1.134 0.000 1.278 414 L HN -0.067 nan 8.230 nan 0.000 0.431 415 P HA -0.225 nan 4.420 nan 0.000 0.216 415 P C 1.217 178.511 177.300 -0.011 0.000 1.150 415 P CA 1.162 64.263 63.100 0.002 0.000 0.843 415 P CB 0.077 31.746 31.700 -0.052 0.000 0.787 416 Q N -1.806 117.868 119.800 -0.210 0.000 2.437 416 Q HA -0.115 4.225 4.340 0.000 0.000 0.210 416 Q C 1.086 177.080 176.000 -0.010 0.000 0.972 416 Q CA 1.092 56.814 55.803 -0.135 0.000 0.903 416 Q CB -0.787 27.841 28.738 -0.183 0.000 0.967 416 Q HN 0.160 nan 8.270 nan 0.000 0.486 417 F N -0.043 119.809 119.950 -0.163 0.000 2.710 417 F HA 0.207 4.734 4.527 0.000 0.000 0.298 417 F C 0.187 175.666 175.800 -0.535 0.000 1.137 417 F CA -0.644 57.144 58.000 -0.354 0.000 1.444 417 F CB -0.055 38.632 39.000 -0.522 0.000 1.111 417 F HN -0.046 nan 8.300 nan 0.000 0.580 418 F N 1.725 121.668 119.950 -0.013 0.000 2.395 418 F HA 0.255 4.782 4.527 0.000 0.000 0.347 418 F C 0.311 176.167 175.800 0.094 0.000 1.157 418 F CA -1.018 56.915 58.000 -0.113 0.000 1.272 418 F CB -0.698 38.167 39.000 -0.224 0.000 1.607 418 F HN -0.049 nan 8.300 nan 0.000 0.571 419 N N -1.587 117.278 118.700 0.276 0.000 2.545 419 N HA 0.297 5.038 4.740 0.000 0.000 0.289 419 N C 0.396 176.064 175.510 0.264 0.000 1.279 419 N CA -0.934 52.253 53.050 0.230 0.000 0.824 419 N CB 0.713 39.291 38.487 0.150 0.000 1.395 419 N HN 0.010 nan 8.380 nan 0.000 0.526 420 N N -0.700 118.109 118.700 0.183 0.000 2.270 420 N HA -0.059 4.681 4.740 0.000 0.000 0.181 420 N C 1.141 176.739 175.510 0.145 0.000 1.016 420 N CA 0.651 53.797 53.050 0.160 0.000 0.870 420 N CB 0.041 38.589 38.487 0.101 0.000 0.979 420 N HN 0.345 nan 8.380 nan 0.000 0.431 421 V N 0.715 120.702 119.914 0.122 0.000 2.307 421 V HA -0.172 3.948 4.120 0.000 0.000 0.245 421 V C 2.273 178.478 176.094 0.184 0.000 1.045 421 V CA 1.424 63.793 62.300 0.115 0.000 1.024 421 V CB -0.606 31.254 31.823 0.062 0.000 0.651 421 V HN 0.234 nan 8.190 nan 0.000 0.449 422 S N 0.144 115.965 115.700 0.201 0.000 2.359 422 S HA -0.197 4.273 4.470 0.000 0.000 0.224 422 S C 1.895 176.685 174.600 0.317 0.000 1.035 422 S CA 1.851 60.212 58.200 0.269 0.000 1.018 422 S CB -0.475 62.888 63.200 0.271 0.000 0.876 422 S HN 0.438 nan 8.310 nan 0.000 0.448 423 L N 2.034 123.423 121.223 0.276 0.000 1.989 423 L HA -0.160 4.180 4.340 0.000 0.000 0.211 423 L C 2.212 179.039 176.870 -0.072 0.000 1.071 423 L CA 2.082 56.869 54.840 -0.088 0.000 0.749 423 L CB -1.095 40.915 42.059 -0.082 0.000 0.890 423 L HN 0.446 nan 8.230 nan 0.000 0.431 424 H N -1.354 117.692 119.070 -0.040 0.000 2.352 424 H HA -0.249 4.307 4.556 0.000 0.000 0.299 424 H C 2.253 177.570 175.328 -0.019 0.000 1.097 424 H CA 2.186 58.199 56.048 -0.058 0.000 1.311 424 H CB -0.207 29.546 29.762 -0.016 0.000 1.377 424 H HN 0.652 nan 8.280 nan 0.000 0.504 425 H N -0.459 118.609 119.070 -0.003 0.000 2.353 425 H HA -0.156 4.401 4.556 0.000 0.000 0.300 425 H C 2.218 177.510 175.328 -0.061 0.000 1.090 425 H CA 1.630 57.646 56.048 -0.052 0.000 1.327 425 H CB -0.297 29.469 29.762 0.007 0.000 1.383 425 H HN 0.567 nan 8.280 nan 0.000 0.508 426 H N -0.074 118.844 119.070 -0.253 0.000 2.352 426 H HA -0.120 4.436 4.556 0.000 0.000 0.299 426 H C 2.583 177.726 175.328 -0.308 0.000 1.097 426 H CA 1.658 57.537 56.048 -0.282 0.000 1.311 426 H CB 0.147 29.799 29.762 -0.184 0.000 1.377 426 H HN 0.328 nan 8.280 nan 0.000 0.504 427 M N -0.021 119.462 119.600 -0.196 0.000 2.117 427 M HA -0.205 4.275 4.480 0.000 0.000 0.262 427 M C 2.355 178.538 176.300 -0.195 0.000 1.065 427 M CA 1.617 56.750 55.300 -0.278 0.000 1.114 427 M CB -0.107 32.136 32.600 -0.595 0.000 1.361 427 M HN 0.414 nan 8.290 nan 0.000 0.408 428 Q N -0.424 119.199 119.800 -0.296 0.000 2.124 428 Q HA -0.139 4.201 4.340 0.000 0.000 0.202 428 Q C 2.151 178.045 176.000 -0.177 0.000 0.977 428 Q CA 1.360 57.029 55.803 -0.224 0.000 0.850 428 Q CB -0.205 28.386 28.738 -0.245 0.000 0.901 428 Q HN 0.367 nan 8.270 nan 0.000 0.429 429 V N 0.632 120.389 119.914 -0.262 0.000 2.343 429 V HA -0.272 3.848 4.120 0.000 0.000 0.247 429 V C 2.220 178.258 176.094 -0.093 0.000 1.051 429 V CA 1.348 63.527 62.300 -0.202 0.000 1.036 429 V CB -0.400 31.234 31.823 -0.315 0.000 0.654 429 V HN 0.432 nan 8.190 nan 0.000 0.451 430 M N -0.415 119.146 119.600 -0.065 0.000 2.117 430 M HA -0.172 4.308 4.480 0.000 0.000 0.262 430 M C 2.160 178.361 176.300 -0.166 0.000 1.065 430 M CA 1.596 56.842 55.300 -0.091 0.000 1.114 430 M CB -1.245 31.317 32.600 -0.063 0.000 1.361 430 M HN 0.463 nan 8.290 nan 0.000 0.408 431 E N -0.154 119.980 120.200 -0.110 0.000 2.077 431 E HA -0.204 4.146 4.350 0.000 0.000 0.193 431 E C 1.970 178.504 176.600 -0.111 0.000 0.989 431 E CA 1.143 57.466 56.400 -0.129 0.000 0.800 431 E CB -0.137 29.528 29.700 -0.059 0.000 0.746 431 E HN 0.598 nan 8.360 nan 0.000 0.452 432 E N 0.372 120.533 120.200 -0.066 0.000 2.051 432 E HA -0.164 4.186 4.350 0.000 0.000 0.192 432 E C 2.258 178.848 176.600 -0.016 0.000 0.991 432 E CA 1.160 57.552 56.400 -0.013 0.000 0.799 432 E CB 0.047 29.769 29.700 0.037 0.000 0.748 432 E HN 0.077 nan 8.360 nan 0.000 0.449 433 V N 0.911 120.797 119.914 -0.046 0.000 2.343 433 V HA -0.217 3.903 4.120 0.000 0.000 0.247 433 V C 2.339 178.376 176.094 -0.094 0.000 1.051 433 V CA 1.275 63.566 62.300 -0.015 0.000 1.036 433 V CB -0.307 31.518 31.823 0.004 0.000 0.654 433 V HN 0.125 nan 8.190 nan 0.000 0.451 434 V N 0.162 119.867 119.914 -0.348 0.000 2.358 434 V HA -0.247 3.873 4.120 0.000 0.000 0.246 434 V C 2.558 178.573 176.094 -0.132 0.000 1.047 434 V CA 2.314 64.323 62.300 -0.485 0.000 1.035 434 V CB -0.817 30.614 31.823 -0.653 0.000 0.658 434 V HN 0.533 nan 8.190 nan 0.000 0.452 435 R N 0.309 120.750 120.500 -0.099 0.000 2.083 435 R HA -0.217 4.123 4.340 0.000 0.000 0.237 435 R C 2.513 178.822 176.300 0.016 0.000 1.137 435 R CA 2.070 58.148 56.100 -0.036 0.000 0.951 435 R CB -0.328 29.957 30.300 -0.025 0.000 0.851 435 R HN 0.380 nan 8.270 nan 0.000 0.434 436 R N -0.489 120.042 120.500 0.052 0.000 2.090 436 R HA -0.090 4.250 4.340 0.000 0.000 0.228 436 R C 0.461 176.848 176.300 0.146 0.000 1.110 436 R CA 1.846 58.006 56.100 0.099 0.000 0.973 436 R CB 0.187 30.560 30.300 0.122 0.000 0.869 436 R HN 0.281 nan 8.270 nan 0.000 0.440 437 D N -0.686 119.851 120.400 0.228 0.000 2.469 437 D HA -0.021 4.619 4.640 0.000 0.000 0.213 437 D C 1.109 177.612 176.300 0.339 0.000 1.135 437 D CA 0.166 54.397 54.000 0.385 0.000 0.834 437 D CB 0.434 41.507 40.800 0.455 0.000 1.009 437 D HN 0.328 nan 8.370 nan 0.000 0.507 438 K N 0.641 121.205 120.400 0.273 0.000 2.218 438 K HA -0.114 4.206 4.320 0.000 0.000 0.205 438 K C 0.873 177.511 176.600 0.062 0.000 1.046 438 K CA 1.042 57.470 56.287 0.235 0.000 0.933 438 K CB -0.072 32.496 32.500 0.114 0.000 0.728 438 K HN -0.070 nan 8.250 nan 0.000 0.454 439 N N 0.483 119.141 118.700 -0.070 0.000 2.280 439 N HA -0.002 4.738 4.740 0.000 0.000 0.192 439 N C -0.509 174.865 175.510 -0.227 0.000 1.109 439 N CA 0.146 53.107 53.050 -0.148 0.000 0.855 439 N CB 0.167 38.563 38.487 -0.152 0.000 0.974 439 N HN 0.274 nan 8.380 nan 0.000 0.482 440 H N 1.737 120.750 119.070 -0.096 0.000 2.864 440 H HA 0.111 4.667 4.556 0.000 0.000 0.281 440 H C -1.165 173.960 175.328 -0.338 0.000 1.093 440 H CA -1.374 54.564 56.048 -0.183 0.000 1.453 440 H CB 1.325 30.994 29.762 -0.155 0.000 1.462 440 H HN 0.067 nan 8.280 nan 0.000 0.480 441 P HA -0.165 nan 4.420 nan 0.000 0.218 441 P C 1.318 178.031 177.300 -0.977 0.000 1.148 441 P CA 1.227 63.861 63.100 -0.777 0.000 0.822 441 P CB 0.257 31.206 31.700 -1.252 0.000 0.784 442 A N 0.080 122.435 122.820 -0.775 0.000 1.972 442 A HA -0.060 4.260 4.320 0.000 0.000 0.219 442 A C 1.353 178.718 177.584 -0.364 0.000 1.169 442 A CA 0.884 52.633 52.037 -0.480 0.000 0.635 442 A CB -1.359 17.566 19.000 -0.126 0.000 0.810 442 A HN 0.105 nan 8.150 nan 0.000 0.446 443 V N 1.428 121.127 119.914 -0.359 0.000 2.450 443 V HA 0.129 4.249 4.120 0.000 0.000 0.281 443 V C 1.353 177.197 176.094 -0.418 0.000 1.019 443 V CA 0.734 62.787 62.300 -0.412 0.000 1.062 443 V CB 0.885 32.419 31.823 -0.482 0.000 0.979 443 V HN 0.505 nan 8.190 nan 0.000 0.477 444 V N 2.266 121.988 119.914 -0.319 0.000 3.605 444 V HA 0.530 4.650 4.120 0.000 0.000 0.284 444 V C 0.164 176.209 176.094 -0.082 0.000 1.386 444 V CA 0.145 62.353 62.300 -0.153 0.000 1.053 444 V CB 0.165 31.998 31.823 0.017 0.000 0.857 444 V HN 0.721 nan 8.190 nan 0.000 0.436 445 M N 0.084 119.522 119.600 -0.271 0.000 2.471 445 M HA 0.544 5.024 4.480 0.000 0.000 0.284 445 M C -2.544 173.536 176.300 -0.367 0.000 1.203 445 M CA -0.388 54.789 55.300 -0.204 0.000 0.915 445 M CB 2.269 34.907 32.600 0.063 0.000 1.734 445 M HN 0.220 nan 8.290 nan 0.000 0.485 446 W N 1.873 123.196 121.300 0.039 0.000 2.469 446 W HA 0.684 5.344 4.660 0.000 0.000 0.320 446 W C -0.172 176.372 176.519 0.041 0.000 1.086 446 W CA -0.643 56.715 57.345 0.023 0.000 1.211 446 W CB 1.763 31.236 29.460 0.021 0.000 1.298 446 W HN 0.561 nan 8.180 nan 0.000 0.525 447 S N 2.139 118.007 115.700 0.281 0.000 2.552 447 S HA 0.321 4.791 4.470 0.000 0.000 0.314 447 S C 0.279 175.028 174.600 0.248 0.000 1.099 447 S CA -0.789 57.545 58.200 0.223 0.000 1.070 447 S CB 0.993 64.278 63.200 0.143 0.000 0.998 447 S HN 0.586 nan 8.310 nan 0.000 0.474 448 V N 2.597 122.673 119.914 0.270 0.000 3.608 448 V HA 0.745 4.865 4.120 0.000 0.000 0.269 448 V C 0.515 176.811 176.094 0.336 0.000 1.245 448 V CA 0.806 63.261 62.300 0.259 0.000 1.138 448 V CB -0.823 31.073 31.823 0.121 0.000 0.841 448 V HN 0.990 nan 8.190 nan 0.000 0.451 449 A N 0.508 123.523 122.820 0.324 0.000 2.601 449 A HA 0.724 5.044 4.320 0.000 0.000 0.291 449 A C -1.435 176.331 177.584 0.303 0.000 1.075 449 A CA -0.395 51.822 52.037 0.301 0.000 0.671 449 A CB 1.240 20.386 19.000 0.242 0.000 1.277 449 A HN 0.331 nan 8.150 nan 0.000 0.417 450 N N 0.456 119.284 118.700 0.214 0.000 2.448 450 N HA 0.463 5.203 4.740 0.000 0.000 0.279 450 N C -0.802 174.796 175.510 0.148 0.000 1.025 450 N CA -0.074 53.068 53.050 0.153 0.000 0.898 450 N CB 0.859 39.304 38.487 -0.071 0.000 1.303 450 N HN 0.681 nan 8.380 nan 0.000 0.495 451 E N 0.566 120.903 120.200 0.229 0.000 2.252 451 E HA -0.176 4.174 4.350 0.000 0.000 0.218 451 E C -2.204 174.539 176.600 0.238 0.000 1.253 451 E CA 0.134 56.672 56.400 0.229 0.000 0.705 451 E CB -1.198 28.590 29.700 0.148 0.000 1.172 451 E HN 0.553 nan 8.360 nan 0.000 0.369 452 P HA 0.093 nan 4.420 nan 0.000 0.274 452 P C -0.237 177.219 177.300 0.260 0.000 1.246 452 P CA -0.125 63.132 63.100 0.261 0.000 0.795 452 P CB 0.727 32.542 31.700 0.192 0.000 1.006 453 A N 1.131 124.118 122.820 0.277 0.000 3.051 453 A HA 0.156 4.476 4.320 0.000 0.000 0.257 453 A C 1.388 178.796 177.584 -0.294 0.000 1.785 453 A CA 0.073 52.146 52.037 0.061 0.000 1.420 453 A CB -1.550 17.469 19.000 0.032 0.000 1.063 453 A HN 0.494 nan 8.150 nan 0.000 0.630 454 S N 0.455 116.136 115.700 -0.032 0.000 2.607 454 S HA -0.113 4.357 4.470 0.000 0.000 0.224 454 S C 1.548 176.128 174.600 -0.034 0.000 0.969 454 S CA 0.644 58.794 58.200 -0.084 0.000 0.927 454 S CB -0.720 62.555 63.200 0.126 0.000 0.772 454 S HN 0.884 nan 8.310 nan 0.000 0.533 455 H N 1.243 120.325 119.070 0.021 0.000 2.521 455 H HA 0.208 4.764 4.556 0.000 0.000 0.286 455 H C 0.519 175.819 175.328 -0.046 0.000 1.034 455 H CA 0.063 56.114 56.048 0.005 0.000 1.278 455 H CB -0.629 29.144 29.762 0.018 0.000 1.386 455 H HN 0.396 nan 8.280 nan 0.000 0.567 456 L N 1.886 122.799 121.223 -0.516 0.000 2.380 456 L HA 0.036 4.376 4.340 0.000 0.000 0.273 456 L C 1.782 178.499 176.870 -0.254 0.000 1.138 456 L CA -0.211 54.401 54.840 -0.381 0.000 0.832 456 L CB 1.231 42.969 42.059 -0.535 0.000 1.124 456 L HN 0.073 nan 8.230 nan 0.000 0.454 457 E N 1.532 121.651 120.200 -0.136 0.000 2.085 457 E HA -0.219 4.131 4.350 0.000 0.000 0.194 457 E C 2.070 178.624 176.600 -0.076 0.000 0.994 457 E CA 1.914 58.274 56.400 -0.067 0.000 0.801 457 E CB 0.106 29.786 29.700 -0.032 0.000 0.743 457 E HN 0.765 nan 8.360 nan 0.000 0.453 458 S N -0.235 115.387 115.700 -0.130 0.000 2.382 458 S HA -0.123 4.347 4.470 0.000 0.000 0.228 458 S C 2.223 176.708 174.600 -0.192 0.000 1.027 458 S CA 1.140 59.291 58.200 -0.082 0.000 0.991 458 S CB -0.479 62.685 63.200 -0.059 0.000 0.823 458 S HN 0.336 nan 8.310 nan 0.000 0.469 459 A N 1.911 124.345 122.820 -0.643 0.000 1.930 459 A HA 0.263 4.583 4.320 0.000 0.000 0.217 459 A C 2.390 179.801 177.584 -0.288 0.000 1.175 459 A CA 1.436 52.894 52.037 -0.966 0.000 0.627 459 A CB -1.788 16.322 19.000 -1.484 0.000 0.815 459 A HN 0.658 nan 8.150 nan 0.000 0.443 460 G N -1.083 107.631 108.800 -0.143 0.000 2.491 460 G HA2 -0.342 3.619 3.960 0.000 0.000 0.218 460 G HA3 -0.342 3.619 3.960 0.000 0.000 0.218 460 G C 1.578 176.528 174.900 0.083 0.000 1.180 460 G CA 1.436 46.568 45.100 0.052 0.000 0.774 460 G HN 0.619 nan 8.290 nan 0.000 0.562 461 Y N 0.102 120.391 120.300 -0.019 0.000 2.163 461 Y HA -0.143 4.407 4.550 0.000 0.000 0.288 461 Y C 2.519 178.408 175.900 -0.019 0.000 1.136 461 Y CA 1.605 59.682 58.100 -0.039 0.000 1.147 461 Y CB -0.618 37.834 38.460 -0.012 0.000 0.987 461 Y HN 0.264 nan 8.280 nan 0.000 0.509 462 Y N 0.437 120.663 120.300 -0.125 0.000 2.114 462 Y HA -0.307 4.243 4.550 0.000 0.000 0.282 462 Y C 2.080 177.820 175.900 -0.266 0.000 1.165 462 Y CA 2.266 60.277 58.100 -0.149 0.000 1.148 462 Y CB -0.629 37.927 38.460 0.160 0.000 0.972 462 Y HN 0.200 nan 8.280 nan 0.000 0.504 463 L N 0.148 121.396 121.223 0.042 0.000 2.056 463 L HA -0.199 4.141 4.340 0.000 0.000 0.207 463 L C 2.635 179.373 176.870 -0.220 0.000 1.078 463 L CA 1.676 56.457 54.840 -0.098 0.000 0.749 463 L CB -0.606 41.356 42.059 -0.162 0.000 0.901 463 L HN 0.155 nan 8.230 nan 0.000 0.433 464 K N -0.020 120.166 120.400 -0.357 0.000 2.044 464 K HA -0.235 4.085 4.320 0.000 0.000 0.210 464 K C 2.208 178.510 176.600 -0.496 0.000 1.049 464 K CA 1.580 57.464 56.287 -0.670 0.000 0.927 464 K CB 0.045 31.950 32.500 -0.992 0.000 0.713 464 K HN 0.152 nan 8.250 nan 0.000 0.443 465 M N 0.385 119.650 119.600 -0.559 0.000 2.156 465 M HA -0.099 4.381 4.480 0.000 0.000 0.264 465 M C 2.278 178.363 176.300 -0.359 0.000 1.067 465 M CA 0.992 55.998 55.300 -0.491 0.000 1.131 465 M CB -0.548 31.660 32.600 -0.654 0.000 1.368 465 M HN 0.015 nan 8.290 nan 0.000 0.416 466 V N 0.490 120.154 119.914 -0.416 0.000 2.358 466 V HA -0.227 3.893 4.120 0.000 0.000 0.246 466 V C 2.409 178.392 176.094 -0.185 0.000 1.047 466 V CA 1.393 63.473 62.300 -0.366 0.000 1.035 466 V CB -0.571 30.888 31.823 -0.608 0.000 0.658 466 V HN 0.333 nan 8.190 nan 0.000 0.452 467 I N 0.532 121.016 120.570 -0.142 0.000 2.179 467 I HA -0.229 3.941 4.170 0.000 0.000 0.242 467 I C 2.680 178.777 176.117 -0.033 0.000 1.088 467 I CA 1.530 62.814 61.300 -0.027 0.000 1.357 467 I CB -0.562 37.476 38.000 0.062 0.000 1.051 467 I HN 0.279 nan 8.210 nan 0.000 0.409 468 A N -0.088 122.686 122.820 -0.077 0.000 1.902 468 A HA -0.306 4.014 4.320 0.000 0.000 0.217 468 A C 2.182 179.744 177.584 -0.037 0.000 1.181 468 A CA 2.036 54.040 52.037 -0.056 0.000 0.623 468 A CB -0.965 17.981 19.000 -0.090 0.000 0.818 468 A HN 0.474 nan 8.150 nan 0.000 0.443 469 H N 0.068 119.042 119.070 -0.160 0.000 2.319 469 H HA -0.100 4.456 4.556 0.000 0.000 0.299 469 H C 2.219 177.451 175.328 -0.161 0.000 1.092 469 H CA 2.376 58.328 56.048 -0.161 0.000 1.302 469 H CB -0.466 29.178 29.762 -0.198 0.000 1.373 469 H HN 0.417 nan 8.280 nan 0.000 0.497 470 T N 0.476 114.951 114.554 -0.132 0.000 2.708 470 T HA -0.139 4.211 4.350 0.000 0.000 0.266 470 T C 1.940 176.520 174.700 -0.201 0.000 1.037 470 T CA 1.705 63.666 62.100 -0.231 0.000 1.146 470 T CB -0.110 68.663 68.868 -0.158 0.000 0.865 470 T HN 0.354 nan 8.240 nan 0.000 0.435 471 K N 1.018 121.364 120.400 -0.089 0.000 2.103 471 K HA -0.040 4.280 4.320 0.000 0.000 0.207 471 K C 2.726 179.279 176.600 -0.078 0.000 1.048 471 K CA 1.380 57.645 56.287 -0.037 0.000 0.930 471 K CB -0.150 32.353 32.500 0.004 0.000 0.716 471 K HN 0.167 nan 8.250 nan 0.000 0.444 472 S N 1.267 116.891 115.700 -0.127 0.000 2.402 472 S HA -0.052 4.418 4.470 0.000 0.000 0.229 472 S C 1.860 176.350 174.600 -0.182 0.000 1.021 472 S CA 0.918 59.035 58.200 -0.139 0.000 0.974 472 S CB -0.140 62.969 63.200 -0.151 0.000 0.800 472 S HN 0.181 nan 8.310 nan 0.000 0.484 473 L N 0.606 121.666 121.223 -0.271 0.000 2.141 473 L HA 0.023 4.363 4.340 0.000 0.000 0.209 473 L C 0.513 177.277 176.870 -0.176 0.000 1.094 473 L CA 0.839 55.514 54.840 -0.274 0.000 0.763 473 L CB -0.045 41.780 42.059 -0.390 0.000 0.908 473 L HN 0.199 nan 8.230 nan 0.000 0.437 474 D N -1.652 118.672 120.400 -0.127 0.000 2.381 474 D HA 0.179 4.819 4.640 0.000 0.000 0.245 474 D C -2.073 174.258 176.300 0.053 0.000 1.297 474 D CA -1.540 52.460 54.000 0.000 0.000 0.931 474 D CB 1.117 41.987 40.800 0.116 0.000 1.334 474 D HN -0.215 nan 8.370 nan 0.000 0.535 475 P HA -0.079 nan 4.420 nan 0.000 0.228 475 P C 1.188 178.506 177.300 0.031 0.000 1.151 475 P CA 0.702 63.813 63.100 0.018 0.000 0.770 475 P CB 0.195 31.891 31.700 -0.007 0.000 0.786 476 S N -1.857 113.870 115.700 0.045 0.000 2.522 476 S HA 0.067 4.537 4.470 0.000 0.000 0.227 476 S C 0.889 175.497 174.600 0.014 0.000 0.986 476 S CA 0.009 58.220 58.200 0.017 0.000 0.929 476 S CB -0.294 62.910 63.200 0.005 0.000 0.769 476 S HN 0.052 nan 8.310 nan 0.000 0.529 477 R N 1.381 121.931 120.500 0.082 0.000 2.744 477 R HA 0.542 4.882 4.340 0.000 0.000 0.279 477 R C -3.038 173.323 176.300 0.101 0.000 0.977 477 R CA -2.402 53.721 56.100 0.039 0.000 0.906 477 R CB 1.479 31.753 30.300 -0.044 0.000 1.197 477 R HN 0.182 nan 8.270 nan 0.000 0.463 478 P HA 0.133 nan 4.420 nan 0.000 0.272 478 P C -0.708 176.702 177.300 0.183 0.000 1.230 478 P CA -0.282 62.875 63.100 0.094 0.000 0.788 478 P CB 0.859 32.594 31.700 0.059 0.000 0.949 479 V N 0.517 120.544 119.914 0.189 0.000 2.735 479 V HA 0.665 4.785 4.120 0.000 0.000 0.310 479 V C 0.382 176.583 176.094 0.179 0.000 1.061 479 V CA -0.258 62.179 62.300 0.230 0.000 0.913 479 V CB 1.865 33.817 31.823 0.216 0.000 1.005 479 V HN 0.782 nan 8.190 nan 0.000 0.428 480 T N 2.750 117.416 114.554 0.186 0.000 2.754 480 T HA 0.839 5.189 4.350 0.000 0.000 0.296 480 T C -1.802 173.047 174.700 0.247 0.000 1.205 480 T CA -0.403 61.779 62.100 0.136 0.000 1.009 480 T CB 1.662 70.552 68.868 0.037 0.000 1.368 480 T HN 0.763 nan 8.240 nan 0.000 0.509 481 F N -0.074 119.929 119.950 0.088 0.000 2.626 481 F HA 0.851 5.378 4.527 0.000 0.000 0.311 481 F C -1.654 174.189 175.800 0.073 0.000 1.088 481 F CA -1.166 56.893 58.000 0.099 0.000 0.949 481 F CB 0.942 40.019 39.000 0.128 0.000 1.322 481 F HN 0.314 nan 8.300 nan 0.000 0.461 482 V N 2.295 122.319 119.914 0.184 0.000 2.407 482 V HA 0.534 4.654 4.120 0.000 0.000 0.278 482 V C -0.251 175.926 176.094 0.140 0.000 1.037 482 V CA -0.294 62.031 62.300 0.040 0.000 0.900 482 V CB 0.996 32.886 31.823 0.111 0.000 0.983 482 V HN 0.888 nan 8.190 nan 0.000 0.459 483 S N 3.329 119.014 115.700 -0.025 0.000 2.503 483 S HA 0.459 4.929 4.470 0.000 0.000 0.301 483 S C 0.418 175.104 174.600 0.142 0.000 1.087 483 S CA -0.749 57.532 58.200 0.134 0.000 1.042 483 S CB 1.061 64.276 63.200 0.026 0.000 1.043 483 S HN 0.903 nan 8.310 nan 0.000 0.489 484 N N 2.124 120.969 118.700 0.243 0.000 2.234 484 N HA 0.173 4.913 4.740 0.000 0.000 0.227 484 N C -0.299 175.400 175.510 0.315 0.000 1.151 484 N CA -0.394 52.806 53.050 0.249 0.000 0.865 484 N CB 0.182 38.801 38.487 0.220 0.000 1.066 484 N HN 0.262 nan 8.380 nan 0.000 0.515 485 S N 0.737 116.675 115.700 0.396 0.000 2.624 485 S HA 0.086 4.556 4.470 0.000 0.000 0.263 485 S C 0.157 175.031 174.600 0.457 0.000 1.287 485 S CA -0.696 57.744 58.200 0.400 0.000 0.990 485 S CB 0.652 64.112 63.200 0.433 0.000 0.950 485 S HN 0.424 nan 8.310 nan 0.000 0.561 486 N N 0.804 119.661 118.700 0.262 0.000 2.513 486 N HA -0.019 4.721 4.740 0.000 0.000 0.268 486 N C 1.081 176.564 175.510 -0.046 0.000 1.180 486 N CA -0.123 53.024 53.050 0.162 0.000 0.948 486 N CB 0.392 38.886 38.487 0.011 0.000 1.083 486 N HN 0.770 nan 8.380 nan 0.000 0.455 487 Y N 3.311 123.367 120.300 -0.407 0.000 2.193 487 Y HA -0.099 4.451 4.550 0.000 0.000 0.285 487 Y C 1.877 177.456 175.900 -0.535 0.000 1.166 487 Y CA 1.534 58.903 58.100 -1.219 0.000 1.181 487 Y CB -0.661 36.833 38.460 -1.610 0.000 0.976 487 Y HN 0.517 nan 8.280 nan 0.000 0.520 488 A N 0.527 122.573 122.820 -1.290 0.000 2.119 488 A HA 0.335 4.655 4.320 0.000 0.000 0.216 488 A C 2.220 179.582 177.584 -0.369 0.000 1.152 488 A CA 1.067 52.562 52.037 -0.903 0.000 0.708 488 A CB -0.925 17.486 19.000 -0.983 0.000 0.805 488 A HN 0.693 nan 8.150 nan 0.000 0.460 489 A N -1.079 121.598 122.820 -0.237 0.000 2.288 489 A HA 0.199 4.519 4.320 0.000 0.000 0.216 489 A C 0.622 178.243 177.584 0.061 0.000 1.199 489 A CA 0.206 52.209 52.037 -0.056 0.000 0.891 489 A CB -0.023 18.968 19.000 -0.015 0.000 0.923 489 A HN 0.293 nan 8.150 nan 0.000 0.500 490 D N 1.027 121.482 120.400 0.091 0.000 2.349 490 D HA 0.080 4.720 4.640 0.000 0.000 0.266 490 D C 0.502 176.921 176.300 0.197 0.000 1.293 490 D CA 0.129 54.263 54.000 0.223 0.000 0.926 490 D CB 0.701 41.713 40.800 0.354 0.000 1.090 490 D HN 0.020 nan 8.370 nan 0.000 0.502 491 K N 2.452 122.958 120.400 0.176 0.000 2.426 491 K HA 0.082 4.402 4.320 0.000 0.000 0.193 491 K C 1.594 178.342 176.600 0.246 0.000 1.028 491 K CA 0.194 56.578 56.287 0.162 0.000 1.047 491 K CB 0.458 33.022 32.500 0.107 0.000 0.821 491 K HN 0.466 nan 8.250 nan 0.000 0.513 492 G N 0.772 109.764 108.800 0.320 0.000 2.595 492 G HA2 -0.015 3.945 3.960 0.000 0.000 0.213 492 G HA3 -0.015 3.945 3.960 0.000 0.000 0.213 492 G C 1.611 176.795 174.900 0.474 0.000 1.141 492 G CA 0.542 45.943 45.100 0.502 0.000 0.806 492 G HN 0.272 nan 8.290 nan 0.000 0.530 493 A N 1.921 124.855 122.820 0.190 0.000 1.940 493 A HA 0.017 4.337 4.320 0.000 0.000 0.219 493 A C 0.588 177.863 177.584 -0.514 0.000 1.176 493 A CA 1.803 53.692 52.037 -0.247 0.000 0.631 493 A CB -1.145 17.547 19.000 -0.514 0.000 0.814 493 A HN 0.350 nan 8.150 nan 0.000 0.446 494 P HA -0.151 nan 4.420 nan 0.000 0.218 494 P C 0.355 177.404 177.300 -0.418 0.000 1.146 494 P CA 1.156 63.990 63.100 -0.443 0.000 0.813 494 P CB -0.173 31.150 31.700 -0.628 0.000 0.778 495 Y N -1.844 118.497 120.300 0.068 0.000 2.457 495 Y HA 0.124 4.674 4.550 0.000 0.000 0.263 495 Y C 1.346 177.295 175.900 0.081 0.000 1.164 495 Y CA -0.725 57.422 58.100 0.079 0.000 1.274 495 Y CB -0.867 37.643 38.460 0.084 0.000 1.097 495 Y HN -0.204 nan 8.280 nan 0.000 0.523 496 V N -2.225 117.779 119.914 0.149 0.000 2.785 496 V HA 0.270 4.390 4.120 0.000 0.000 0.300 496 V C 0.598 176.739 176.094 0.077 0.000 1.062 496 V CA -0.629 61.739 62.300 0.114 0.000 1.029 496 V CB 1.447 33.278 31.823 0.013 0.000 1.024 496 V HN 0.023 nan 8.190 nan 0.000 0.477 497 D N 1.331 121.785 120.400 0.090 0.000 2.240 497 D HA 0.151 4.791 4.640 0.000 0.000 0.206 497 D C 0.369 176.725 176.300 0.093 0.000 0.963 497 D CA 1.064 55.115 54.000 0.085 0.000 0.863 497 D CB 0.691 41.542 40.800 0.085 0.000 0.973 497 D HN 0.445 nan 8.370 nan 0.000 0.501 498 V N 1.302 121.268 119.914 0.088 0.000 2.760 498 V HA 0.323 4.443 4.120 0.000 0.000 0.309 498 V C -0.228 175.864 176.094 -0.003 0.000 1.077 498 V CA -0.802 61.554 62.300 0.094 0.000 0.910 498 V CB 2.926 34.843 31.823 0.156 0.000 1.008 498 V HN -0.117 nan 8.190 nan 0.000 0.424 499 I N 3.305 123.868 120.570 -0.012 0.000 2.325 499 I HA 0.325 4.495 4.170 0.000 0.000 0.291 499 I C -0.435 175.574 176.117 -0.180 0.000 1.019 499 I CA 0.021 61.243 61.300 -0.131 0.000 1.302 499 I CB 0.871 38.839 38.000 -0.054 0.000 1.401 499 I HN 0.530 nan 8.210 nan 0.000 0.485 500 C N 7.667 126.802 119.300 -0.274 0.000 2.281 500 C HA 0.562 5.022 4.460 0.000 0.000 0.323 500 C C 0.065 174.891 174.990 -0.273 0.000 1.270 500 C CA -0.738 58.145 59.018 -0.225 0.000 1.559 500 C CB 0.063 27.696 27.740 -0.178 0.000 2.239 500 C HN 0.554 nan 8.230 nan 0.000 0.488 501 L N 4.242 125.330 121.223 -0.225 0.000 2.322 501 L HA 0.499 4.839 4.340 0.000 0.000 0.281 501 L C -0.535 176.295 176.870 -0.066 0.000 1.014 501 L CA -0.331 54.367 54.840 -0.237 0.000 0.815 501 L CB 1.167 43.015 42.059 -0.352 0.000 1.247 501 L HN 0.600 nan 8.230 nan 0.000 0.421 502 N N 1.935 120.631 118.700 -0.007 0.000 2.419 502 N HA 0.544 5.284 4.740 0.000 0.000 0.277 502 N C -0.827 174.723 175.510 0.066 0.000 1.006 502 N CA -0.352 52.728 53.050 0.050 0.000 0.923 502 N CB 2.004 40.581 38.487 0.149 0.000 1.140 502 N HN 0.673 nan 8.380 nan 0.000 0.488 503 S N 0.874 116.534 115.700 -0.067 0.000 2.537 503 S HA 0.564 5.034 4.470 0.000 0.000 0.270 503 S C -1.560 172.885 174.600 -0.259 0.000 1.142 503 S CA -0.745 57.389 58.200 -0.111 0.000 0.870 503 S CB 1.015 63.982 63.200 -0.389 0.000 1.112 503 S HN 0.415 nan 8.310 nan 0.000 0.466 504 Y N 0.780 121.048 120.300 -0.054 0.000 2.477 504 Y HA 0.385 4.935 4.550 0.000 0.000 0.340 504 Y C -0.937 175.058 175.900 0.160 0.000 0.987 504 Y CA -0.984 57.152 58.100 0.060 0.000 1.127 504 Y CB 0.072 38.541 38.460 0.016 0.000 1.139 504 Y HN 0.665 nan 8.280 nan 0.000 0.637 505 Y N 0.644 121.321 120.300 0.627 0.000 2.597 505 Y HA 0.159 4.709 4.550 0.000 0.000 0.336 505 Y C 1.583 177.753 175.900 0.451 0.000 1.216 505 Y CA 0.625 59.031 58.100 0.509 0.000 1.463 505 Y CB 0.809 39.463 38.460 0.323 0.000 1.303 505 Y HN 0.574 nan 8.280 nan 0.000 0.576 506 S N 0.241 116.276 115.700 0.558 0.000 2.524 506 S HA -0.259 4.211 4.470 0.000 0.000 0.254 506 S C 1.009 175.877 174.600 0.446 0.000 1.258 506 S CA 1.185 59.674 58.200 0.482 0.000 1.448 506 S CB -2.054 61.446 63.200 0.499 0.000 1.806 506 S HN 0.920 nan 8.310 nan 0.000 0.630 507 W N 0.911 122.344 121.300 0.221 0.000 3.008 507 W HA 0.261 4.921 4.660 0.000 0.000 0.273 507 W C 1.572 178.089 176.519 -0.003 0.000 1.012 507 W CA 1.176 58.538 57.345 0.027 0.000 1.885 507 W CB -0.156 29.218 29.460 -0.143 0.000 1.150 507 W HN 0.376 nan 8.180 nan 0.000 0.564 508 Y N 0.686 120.985 120.300 -0.002 0.000 2.546 508 Y HA 0.008 4.558 4.550 0.000 0.000 0.287 508 Y C -0.021 175.791 175.900 -0.147 0.000 1.158 508 Y CA 1.075 59.094 58.100 -0.134 0.000 1.307 508 Y CB -0.672 37.691 38.460 -0.162 0.000 1.036 508 Y HN 0.065 nan 8.280 nan 0.000 0.532 509 H N -4.633 114.649 119.070 0.355 0.000 3.017 509 H HA 0.323 4.879 4.556 0.000 0.000 0.346 509 H C -0.803 174.508 175.328 -0.028 0.000 1.286 509 H CA -1.921 54.142 56.048 0.026 0.000 1.120 509 H CB 0.425 30.263 29.762 0.127 0.000 1.860 509 H HN -0.213 nan 8.280 nan 0.000 0.542 510 D N 0.331 120.669 120.400 -0.103 0.000 2.735 510 D HA -0.206 4.434 4.640 0.000 0.000 0.235 510 D C -0.898 175.536 176.300 0.222 0.000 1.175 510 D CA 0.640 54.653 54.000 0.022 0.000 0.683 510 D CB -1.215 39.647 40.800 0.103 0.000 1.008 510 D HN 0.398 nan 8.370 nan 0.000 0.416 511 Y N 0.469 120.884 120.300 0.191 0.000 2.802 511 Y HA 0.260 4.810 4.550 0.000 0.000 0.333 511 Y C 2.075 178.006 175.900 0.051 0.000 1.244 511 Y CA 0.705 58.819 58.100 0.024 0.000 1.558 511 Y CB -0.014 38.389 38.460 -0.096 0.000 1.233 511 Y HN 0.411 nan 8.280 nan 0.000 0.547 512 G N 1.632 110.560 108.800 0.213 0.000 2.199 512 G HA2 -0.279 3.681 3.960 0.000 0.000 0.254 512 G HA3 -0.279 3.681 3.960 0.000 0.000 0.254 512 G C 0.210 175.236 174.900 0.210 0.000 0.982 512 G CA -0.133 45.085 45.100 0.198 0.000 0.632 512 G HN 0.753 nan 8.290 nan 0.000 0.529 513 H N 1.173 120.404 119.070 0.268 0.000 2.970 513 H HA 0.350 4.906 4.556 0.000 0.000 0.226 513 H C 2.041 177.478 175.328 0.181 0.000 1.909 513 H CA 0.236 56.398 56.048 0.189 0.000 1.388 513 H CB -0.167 29.673 29.762 0.131 0.000 1.773 513 H HN 0.321 nan 8.280 nan 0.000 0.559 514 L N 0.939 122.286 121.223 0.207 0.000 2.189 514 L HA -0.215 4.125 4.340 0.000 0.000 0.214 514 L C 2.641 179.564 176.870 0.088 0.000 1.097 514 L CA 1.242 56.140 54.840 0.098 0.000 0.764 514 L CB -0.098 41.937 42.059 -0.040 0.000 0.900 514 L HN 0.501 nan 8.230 nan 0.000 0.436 515 E N 0.680 120.947 120.200 0.112 0.000 2.418 515 E HA -0.165 4.185 4.350 0.000 0.000 0.197 515 E C 1.847 178.482 176.600 0.059 0.000 1.026 515 E CA 0.969 57.416 56.400 0.078 0.000 0.862 515 E CB -0.162 29.592 29.700 0.091 0.000 0.799 515 E HN 0.566 nan 8.360 nan 0.000 0.518 516 L N 0.356 121.629 121.223 0.084 0.000 2.529 516 L HA 0.158 4.498 4.340 0.000 0.000 0.223 516 L C 2.443 179.290 176.870 -0.038 0.000 1.113 516 L CA -0.003 54.851 54.840 0.023 0.000 0.861 516 L CB -0.212 41.874 42.059 0.044 0.000 1.012 516 L HN 0.004 nan 8.230 nan 0.000 0.461 517 I N -0.094 120.474 120.570 -0.004 0.000 2.163 517 I HA -0.323 3.847 4.170 0.000 0.000 0.243 517 I C 2.571 178.574 176.117 -0.190 0.000 1.085 517 I CA 1.531 62.788 61.300 -0.072 0.000 1.347 517 I CB -0.246 37.723 38.000 -0.051 0.000 1.044 517 I HN 0.365 nan 8.210 nan 0.000 0.408 518 Q N 0.086 119.809 119.800 -0.129 0.000 2.084 518 Q HA -0.239 4.101 4.340 0.000 0.000 0.202 518 Q C 2.294 178.222 176.000 -0.120 0.000 0.978 518 Q CA 1.438 57.171 55.803 -0.116 0.000 0.844 518 Q CB -0.261 28.440 28.738 -0.061 0.000 0.898 518 Q HN 0.377 nan 8.270 nan 0.000 0.426 519 L N 1.089 122.243 121.223 -0.116 0.000 1.994 519 L HA -0.229 4.111 4.340 0.000 0.000 0.208 519 L C 2.089 178.845 176.870 -0.191 0.000 1.071 519 L CA 1.896 56.666 54.840 -0.117 0.000 0.745 519 L CB -0.557 41.445 42.059 -0.095 0.000 0.892 519 L HN 0.169 nan 8.230 nan 0.000 0.431 520 Q N -1.105 118.504 119.800 -0.319 0.000 2.124 520 Q HA -0.200 4.140 4.340 0.000 0.000 0.202 520 Q C 2.205 177.862 176.000 -0.572 0.000 0.977 520 Q CA 1.492 56.957 55.803 -0.564 0.000 0.850 520 Q CB -0.290 27.859 28.738 -0.981 0.000 0.901 520 Q HN 0.430 nan 8.270 nan 0.000 0.429 521 L N 0.565 121.528 121.223 -0.432 0.000 2.056 521 L HA -0.088 4.252 4.340 0.000 0.000 0.207 521 L C 2.175 178.903 176.870 -0.237 0.000 1.078 521 L CA 1.812 56.466 54.840 -0.310 0.000 0.749 521 L CB -0.775 41.108 42.059 -0.293 0.000 0.901 521 L HN 0.118 nan 8.230 nan 0.000 0.433 522 A N -1.747 121.020 122.820 -0.089 0.000 1.877 522 A HA -0.215 4.105 4.320 0.000 0.000 0.216 522 A C 2.282 179.898 177.584 0.052 0.000 1.186 522 A CA 2.347 54.415 52.037 0.051 0.000 0.620 522 A CB -1.159 17.855 19.000 0.023 0.000 0.822 522 A HN 0.465 nan 8.150 nan 0.000 0.443 523 T N -0.439 114.093 114.554 -0.036 0.000 2.746 523 T HA -0.193 4.157 4.350 0.000 0.000 0.267 523 T C 2.076 176.773 174.700 -0.004 0.000 1.039 523 T CA 1.575 63.655 62.100 -0.034 0.000 1.142 523 T CB -0.272 68.549 68.868 -0.079 0.000 0.866 523 T HN 0.665 nan 8.240 nan 0.000 0.444 524 Q N -0.148 119.645 119.800 -0.012 0.000 2.014 524 Q HA -0.174 4.166 4.340 0.000 0.000 0.207 524 Q C 1.961 178.120 176.000 0.264 0.000 0.993 524 Q CA 1.806 57.681 55.803 0.118 0.000 0.850 524 Q CB -0.280 28.453 28.738 -0.008 0.000 0.916 524 Q HN 0.458 nan 8.270 nan 0.000 0.417 525 F N 1.154 121.265 119.950 0.269 0.000 2.134 525 F HA -0.109 4.418 4.527 0.000 0.000 0.299 525 F C 2.237 178.246 175.800 0.348 0.000 1.097 525 F CA 1.437 59.644 58.000 0.344 0.000 1.264 525 F CB -0.544 38.632 39.000 0.293 0.000 1.001 525 F HN 0.225 nan 8.300 nan 0.000 0.479 526 E N -0.096 120.342 120.200 0.397 0.000 2.051 526 E HA -0.199 4.151 4.350 0.000 0.000 0.192 526 E C 1.974 178.626 176.600 0.086 0.000 0.991 526 E CA 1.261 57.806 56.400 0.242 0.000 0.799 526 E CB -0.236 29.547 29.700 0.139 0.000 0.748 526 E HN 0.299 nan 8.360 nan 0.000 0.449 527 N N 0.116 118.775 118.700 -0.068 0.000 2.058 527 N HA -0.157 4.583 4.740 0.000 0.000 0.191 527 N C 1.406 176.684 175.510 -0.386 0.000 1.037 527 N CA 1.049 53.797 53.050 -0.504 0.000 0.848 527 N CB -0.469 37.374 38.487 -1.073 0.000 1.021 527 N HN 0.248 nan 8.380 nan 0.000 0.422 528 W N 0.234 121.475 121.300 -0.098 0.000 2.358 528 W HA -0.101 4.559 4.660 0.000 0.000 0.303 528 W C 2.228 178.826 176.519 0.133 0.000 1.208 528 W CA 0.726 58.160 57.345 0.149 0.000 1.274 528 W CB -0.808 28.812 29.460 0.267 0.000 1.138 528 W HN 0.134 nan 8.180 nan 0.000 0.515 529 Y N 1.245 121.649 120.300 0.173 0.000 2.263 529 Y HA -0.177 4.373 4.550 0.000 0.000 0.292 529 Y C 2.497 178.329 175.900 -0.114 0.000 1.130 529 Y CA 2.046 60.077 58.100 -0.116 0.000 1.179 529 Y CB -0.536 37.479 38.460 -0.742 0.000 0.998 529 Y HN -0.119 nan 8.280 nan 0.000 0.532 530 K N 0.388 120.754 120.400 -0.058 0.000 2.057 530 K HA -0.240 4.080 4.320 0.000 0.000 0.207 530 K C 2.272 178.751 176.600 -0.200 0.000 1.049 530 K CA 1.797 58.010 56.287 -0.123 0.000 0.931 530 K CB -0.155 32.305 32.500 -0.067 0.000 0.714 530 K HN 0.222 nan 8.250 nan 0.000 0.440 531 K N -1.040 119.236 120.400 -0.207 0.000 2.062 531 K HA -0.118 4.202 4.320 0.000 0.000 0.205 531 K C 1.445 177.712 176.600 -0.556 0.000 1.051 531 K CA 1.350 57.406 56.287 -0.384 0.000 0.941 531 K CB 0.062 32.297 32.500 -0.440 0.000 0.719 531 K HN 0.166 nan 8.250 nan 0.000 0.440 532 Y N 0.226 120.473 120.300 -0.089 0.000 2.535 532 Y HA 0.164 4.714 4.550 0.000 0.000 0.266 532 Y C 0.198 175.967 175.900 -0.219 0.000 1.088 532 Y CA -0.018 58.032 58.100 -0.083 0.000 1.285 532 Y CB 0.536 39.037 38.460 0.068 0.000 1.166 532 Y HN 0.068 nan 8.280 nan 0.000 0.525 533 Q N 0.191 119.741 119.800 -0.416 0.000 2.468 533 Q HA -0.247 4.093 4.340 0.000 0.000 0.289 533 Q C -0.711 175.120 176.000 -0.282 0.000 1.299 533 Q CA 0.663 55.988 55.803 -0.798 0.000 0.838 533 Q CB -1.843 26.621 28.738 -0.456 0.000 1.195 533 Q HN 0.323 nan 8.270 nan 0.000 0.456 534 K N 0.039 120.420 120.400 -0.030 0.000 2.340 534 K HA 0.568 4.888 4.320 0.000 0.000 0.244 534 K C -2.565 174.257 176.600 0.370 0.000 0.973 534 K CA -2.273 54.123 56.287 0.182 0.000 0.828 534 K CB 1.293 33.878 32.500 0.142 0.000 1.226 534 K HN -0.213 nan 8.250 nan 0.000 0.437 535 P HA 0.100 nan 4.420 nan 0.000 0.269 535 P C -0.767 176.693 177.300 0.266 0.000 1.215 535 P CA 0.117 63.416 63.100 0.332 0.000 0.780 535 P CB 0.437 32.316 31.700 0.297 0.000 0.898 536 I N 2.423 123.141 120.570 0.246 0.000 2.509 536 I HA 0.406 4.576 4.170 0.000 0.000 0.293 536 I C -0.028 176.127 176.117 0.063 0.000 1.020 536 I CA -0.700 60.699 61.300 0.165 0.000 1.088 536 I CB 1.566 39.731 38.000 0.276 0.000 1.267 536 I HN 0.108 nan 8.210 nan 0.000 0.430 537 I N 4.674 125.235 120.570 -0.015 0.000 2.404 537 I HA 0.212 4.382 4.170 0.000 0.000 0.293 537 I C -0.222 175.897 176.117 0.004 0.000 0.992 537 I CA -0.737 60.511 61.300 -0.087 0.000 1.149 537 I CB 1.826 39.663 38.000 -0.272 0.000 1.315 537 I HN 0.503 nan 8.210 nan 0.000 0.446 538 Q N 3.978 123.837 119.800 0.097 0.000 2.402 538 Q HA 0.110 4.450 4.340 0.000 0.000 0.238 538 Q C 0.711 176.775 176.000 0.108 0.000 1.126 538 Q CA -0.056 55.845 55.803 0.164 0.000 0.904 538 Q CB 0.676 29.588 28.738 0.289 0.000 1.357 538 Q HN 0.748 nan 8.270 nan 0.000 0.491 539 S N 2.140 117.868 115.700 0.047 0.000 2.496 539 S HA 0.145 4.615 4.470 0.000 0.000 0.224 539 S C 0.001 174.678 174.600 0.127 0.000 0.996 539 S CA 0.132 58.356 58.200 0.040 0.000 0.927 539 S CB 0.237 63.433 63.200 -0.006 0.000 0.774 539 S HN 0.631 nan 8.310 nan 0.000 0.524 540 E N -0.145 120.119 120.200 0.106 0.000 2.343 540 E HA 0.585 4.935 4.350 0.000 0.000 0.278 540 E C -1.770 174.714 176.600 -0.194 0.000 0.910 540 E CA -0.977 55.454 56.400 0.052 0.000 0.757 540 E CB 2.329 32.073 29.700 0.074 0.000 1.218 540 E HN 0.454 nan 8.360 nan 0.000 0.435 541 Y N -0.673 119.303 120.300 -0.540 0.000 2.662 541 Y HA 0.752 5.302 4.550 0.000 0.000 0.334 541 Y C -0.479 175.076 175.900 -0.575 0.000 1.185 541 Y CA -0.464 57.018 58.100 -1.031 0.000 1.074 541 Y CB 1.196 38.914 38.460 -1.237 0.000 1.330 541 Y HN 0.747 nan 8.280 nan 0.000 0.458 542 G N 0.122 108.616 108.800 -0.511 0.000 2.341 542 G HA2 0.663 4.623 3.960 0.000 0.000 0.293 542 G HA3 0.663 4.623 3.960 0.000 0.000 0.293 542 G C -2.183 172.581 174.900 -0.226 0.000 1.298 542 G CA -0.220 44.720 45.100 -0.267 0.000 0.868 542 G HN 1.791 nan 8.290 nan 0.000 0.540 543 A N -0.321 122.243 122.820 -0.428 0.000 2.488 543 A HA 0.753 5.073 4.320 0.000 0.000 0.298 543 A C -0.485 176.498 177.584 -1.001 0.000 1.044 543 A CA -0.564 50.903 52.037 -0.951 0.000 0.693 543 A CB 1.481 20.261 19.000 -0.367 0.000 1.272 543 A HN 0.575 nan 8.150 nan 0.000 0.402 544 E N 1.255 120.478 120.200 -1.628 0.000 2.384 544 E HA 0.348 4.698 4.350 0.000 0.000 0.266 544 E C -0.620 175.682 176.600 -0.498 0.000 1.012 544 E CA 0.614 56.547 56.400 -0.778 0.000 0.901 544 E CB 0.735 30.138 29.700 -0.496 0.000 0.967 544 E HN 0.494 nan 8.360 nan 0.000 0.435 545 T N 3.478 117.907 114.554 -0.208 0.000 3.170 545 T HA 0.275 4.625 4.350 0.000 0.000 0.315 545 T C -0.094 174.558 174.700 -0.079 0.000 0.967 545 T CA -0.671 61.370 62.100 -0.097 0.000 1.024 545 T CB 0.587 69.388 68.868 -0.112 0.000 1.018 545 T HN 0.202 nan 8.240 nan 0.000 0.449 546 I N 2.888 123.392 120.570 -0.109 0.000 2.322 546 I HA 0.380 4.550 4.170 0.000 0.000 0.292 546 I C 1.153 177.181 176.117 -0.148 0.000 1.060 546 I CA -0.901 60.240 61.300 -0.266 0.000 1.309 546 I CB -0.065 37.449 38.000 -0.812 0.000 1.415 546 I HN 0.754 nan 8.210 nan 0.000 0.492 547 A N 4.917 127.686 122.820 -0.085 0.000 2.580 547 A HA 0.369 4.689 4.320 0.000 0.000 0.244 547 A C 1.413 179.018 177.584 0.036 0.000 1.045 547 A CA 0.883 52.903 52.037 -0.028 0.000 0.761 547 A CB -0.393 18.599 19.000 -0.012 0.000 0.962 547 A HN 1.380 nan 8.150 nan 0.000 0.512 548 G N 1.210 110.009 108.800 -0.001 0.000 2.217 548 G HA2 -0.207 3.753 3.960 0.000 0.000 0.246 548 G HA3 -0.207 3.753 3.960 0.000 0.000 0.246 548 G C -0.020 174.922 174.900 0.070 0.000 0.990 548 G CA 0.177 45.309 45.100 0.053 0.000 0.627 548 G HN 0.719 nan 8.290 nan 0.000 0.522 549 F N 3.266 123.088 119.950 -0.213 0.000 2.445 549 F HA 0.552 5.079 4.527 0.000 0.000 0.359 549 F C 0.882 176.535 175.800 -0.245 0.000 1.101 549 F CA -0.723 57.204 58.000 -0.123 0.000 1.177 549 F CB 0.529 39.519 39.000 -0.016 0.000 1.110 549 F HN 0.098 nan 8.300 nan 0.000 0.522 550 H N 2.883 122.028 119.070 0.125 0.000 2.637 550 H HA 0.504 5.060 4.556 0.000 0.000 0.363 550 H C -0.933 174.435 175.328 0.067 0.000 1.131 550 H CA -0.699 55.408 56.048 0.098 0.000 1.183 550 H CB 2.408 32.204 29.762 0.057 0.000 1.637 550 H HN 0.564 nan 8.280 nan 0.000 0.531 551 Q N 1.684 121.616 119.800 0.219 0.000 2.426 551 Q HA 0.283 4.623 4.340 0.000 0.000 0.278 551 Q C -2.092 173.989 176.000 0.135 0.000 1.007 551 Q CA -0.670 55.220 55.803 0.144 0.000 0.850 551 Q CB 2.899 31.712 28.738 0.124 0.000 1.427 551 Q HN 0.678 nan 8.270 nan 0.000 0.391 552 D N 2.478 122.935 120.400 0.094 0.000 2.787 552 D HA 0.538 5.178 4.640 0.000 0.000 0.246 552 D C -2.370 173.967 176.300 0.063 0.000 1.150 552 D CA -1.366 52.682 54.000 0.079 0.000 0.864 552 D CB 1.606 42.441 40.800 0.059 0.000 1.481 552 D HN 0.336 nan 8.370 nan 0.000 0.509 553 P HA 0.249 nan 4.420 nan 0.000 0.270 553 P C -2.547 174.824 177.300 0.117 0.000 1.223 553 P CA -0.971 62.177 63.100 0.080 0.000 0.785 553 P CB 0.000 31.741 31.700 0.068 0.000 0.923 554 P HA 0.148 nan 4.420 nan 0.000 0.271 554 P C -0.859 176.629 177.300 0.312 0.000 1.218 554 P CA 0.361 63.602 63.100 0.235 0.000 0.780 554 P CB 0.701 32.544 31.700 0.239 0.000 0.901 555 L N 2.148 123.543 121.223 0.287 0.000 2.354 555 L HA 0.467 4.807 4.340 0.000 0.000 0.264 555 L C 0.948 177.822 176.870 0.007 0.000 1.008 555 L CA -1.397 53.540 54.840 0.162 0.000 0.819 555 L CB 1.587 43.714 42.059 0.113 0.000 1.339 555 L HN 0.288 nan 8.230 nan 0.000 0.420 556 M N 1.897 121.244 119.600 -0.420 0.000 2.235 556 M HA -0.070 4.410 4.480 0.000 0.000 0.336 556 M C 0.034 176.427 176.300 0.156 0.000 1.146 556 M CA 1.326 56.333 55.300 -0.490 0.000 1.018 556 M CB -0.184 32.069 32.600 -0.579 0.000 1.694 556 M HN 0.607 nan 8.290 nan 0.000 0.451 557 F N -2.169 117.881 119.950 0.166 0.000 2.398 557 F HA -0.253 4.274 4.527 0.000 0.000 0.484 557 F C 1.117 176.981 175.800 0.108 0.000 0.537 557 F CA 1.017 59.089 58.000 0.119 0.000 1.491 557 F CB -1.943 37.094 39.000 0.063 0.000 2.162 557 F HN 0.667 nan 8.300 nan 0.000 0.263 558 T N -1.548 113.195 114.554 0.315 0.000 2.882 558 T HA 0.345 4.695 4.350 0.000 0.000 0.287 558 T C 1.083 175.883 174.700 0.165 0.000 1.014 558 T CA 0.011 62.265 62.100 0.257 0.000 1.049 558 T CB 1.695 70.716 68.868 0.255 0.000 1.001 558 T HN 0.305 nan 8.240 nan 0.000 0.525 559 E N 0.538 120.776 120.200 0.063 0.000 2.153 559 E HA -0.143 4.207 4.350 0.000 0.000 0.194 559 E C 1.844 178.512 176.600 0.114 0.000 0.988 559 E CA 1.129 57.556 56.400 0.044 0.000 0.811 559 E CB 0.015 29.700 29.700 -0.025 0.000 0.746 559 E HN 0.716 nan 8.360 nan 0.000 0.466 560 E N 0.029 120.328 120.200 0.166 0.000 2.107 560 E HA -0.151 4.199 4.350 0.000 0.000 0.191 560 E C 1.572 178.262 176.600 0.149 0.000 0.982 560 E CA 0.639 57.135 56.400 0.159 0.000 0.809 560 E CB -0.269 29.537 29.700 0.176 0.000 0.756 560 E HN 0.308 nan 8.360 nan 0.000 0.459 561 Y N 1.280 121.637 120.300 0.095 0.000 2.242 561 Y HA -0.237 4.313 4.550 0.000 0.000 0.291 561 Y C 2.433 178.374 175.900 0.068 0.000 1.137 561 Y CA 1.946 60.107 58.100 0.102 0.000 1.181 561 Y CB 0.072 38.617 38.460 0.143 0.000 0.989 561 Y HN 0.061 nan 8.280 nan 0.000 0.527 562 Q N 0.281 120.183 119.800 0.170 0.000 2.050 562 Q HA -0.245 4.095 4.340 0.000 0.000 0.202 562 Q C 2.082 178.078 176.000 -0.007 0.000 0.980 562 Q CA 2.020 57.850 55.803 0.045 0.000 0.840 562 Q CB -0.063 28.669 28.738 -0.010 0.000 0.898 562 Q HN 0.418 nan 8.270 nan 0.000 0.424 563 K N -0.222 120.185 120.400 0.012 0.000 2.032 563 K HA -0.155 4.166 4.320 0.000 0.000 0.209 563 K C 2.349 178.926 176.600 -0.038 0.000 1.048 563 K CA 1.555 57.844 56.287 0.004 0.000 0.927 563 K CB -0.310 32.214 32.500 0.039 0.000 0.712 563 K HN 0.059 nan 8.250 nan 0.000 0.441 564 S N 0.962 116.619 115.700 -0.073 0.000 2.355 564 S HA -0.085 4.385 4.470 0.000 0.000 0.222 564 S C 1.898 176.412 174.600 -0.142 0.000 1.031 564 S CA 0.944 59.073 58.200 -0.119 0.000 0.993 564 S CB -0.214 62.878 63.200 -0.179 0.000 0.859 564 S HN 0.319 nan 8.310 nan 0.000 0.453 565 L N 0.764 121.873 121.223 -0.191 0.000 2.017 565 L HA -0.082 4.258 4.340 0.000 0.000 0.208 565 L C 2.097 179.009 176.870 0.070 0.000 1.073 565 L CA 1.359 56.175 54.840 -0.039 0.000 0.745 565 L CB -0.374 41.700 42.059 0.025 0.000 0.894 565 L HN 0.286 nan 8.230 nan 0.000 0.432 566 L N 0.234 121.439 121.223 -0.029 0.000 2.012 566 L HA -0.265 4.075 4.340 0.000 0.000 0.210 566 L C 2.503 179.032 176.870 -0.569 0.000 1.073 566 L CA 1.926 56.638 54.840 -0.213 0.000 0.748 566 L CB -0.943 41.017 42.059 -0.165 0.000 0.891 566 L HN 0.331 nan 8.230 nan 0.000 0.431 567 E N -1.171 118.871 120.200 -0.263 0.000 2.070 567 E HA -0.271 4.079 4.350 0.000 0.000 0.197 567 E C 2.203 178.765 176.600 -0.064 0.000 1.004 567 E CA 1.299 57.627 56.400 -0.119 0.000 0.805 567 E CB -0.096 29.589 29.700 -0.024 0.000 0.744 567 E HN 0.487 nan 8.360 nan 0.000 0.451 568 Q N -0.318 119.454 119.800 -0.047 0.000 2.079 568 Q HA -0.156 4.184 4.340 0.000 0.000 0.200 568 Q C 2.004 177.972 176.000 -0.053 0.000 0.974 568 Q CA 1.284 57.069 55.803 -0.030 0.000 0.840 568 Q CB -0.489 28.234 28.738 -0.025 0.000 0.898 568 Q HN 0.451 nan 8.270 nan 0.000 0.430 569 Y N 0.679 120.908 120.300 -0.119 0.000 2.128 569 Y HA -0.244 4.306 4.550 0.000 0.000 0.284 569 Y C 2.337 178.212 175.900 -0.042 0.000 1.154 569 Y CA 1.844 59.850 58.100 -0.157 0.000 1.149 569 Y CB -0.423 37.776 38.460 -0.435 0.000 0.976 569 Y HN 0.410 nan 8.280 nan 0.000 0.505 570 H N -1.106 118.011 119.070 0.079 0.000 2.353 570 H HA -0.168 4.388 4.556 0.000 0.000 0.300 570 H C 2.178 177.525 175.328 0.032 0.000 1.090 570 H CA 1.137 57.221 56.048 0.060 0.000 1.327 570 H CB -0.289 29.518 29.762 0.075 0.000 1.383 570 H HN 0.268 nan 8.280 nan 0.000 0.508 571 L N 0.071 121.375 121.223 0.134 0.000 2.083 571 L HA -0.122 4.218 4.340 0.000 0.000 0.209 571 L C 2.824 179.719 176.870 0.041 0.000 1.083 571 L CA 1.087 55.964 54.840 0.061 0.000 0.752 571 L CB -0.421 41.656 42.059 0.029 0.000 0.899 571 L HN 0.366 nan 8.230 nan 0.000 0.433 572 G N -0.203 108.621 108.800 0.041 0.000 2.394 572 G HA2 -0.176 3.784 3.960 0.000 0.000 0.214 572 G HA3 -0.176 3.784 3.960 0.000 0.000 0.214 572 G C 1.612 176.601 174.900 0.148 0.000 1.176 572 G CA 0.391 45.533 45.100 0.070 0.000 0.786 572 G HN 0.207 nan 8.290 nan 0.000 0.533 573 L N 0.612 121.938 121.223 0.172 0.000 2.079 573 L HA -0.095 4.245 4.340 0.000 0.000 0.210 573 L C 2.467 179.323 176.870 -0.022 0.000 1.081 573 L CA 1.156 56.073 54.840 0.127 0.000 0.752 573 L CB -0.381 41.785 42.059 0.177 0.000 0.896 573 L HN 0.088 nan 8.230 nan 0.000 0.433 574 D N -0.468 119.926 120.400 -0.011 0.000 2.190 574 D HA -0.194 4.446 4.640 0.000 0.000 0.200 574 D C 2.292 178.527 176.300 -0.109 0.000 0.992 574 D CA 0.962 54.917 54.000 -0.075 0.000 0.854 574 D CB -0.095 40.682 40.800 -0.040 0.000 0.936 574 D HN 0.323 nan 8.370 nan 0.000 0.462 575 Q N -0.213 119.538 119.800 -0.082 0.000 2.378 575 Q HA -0.018 4.322 4.340 0.000 0.000 0.205 575 Q C 1.271 177.153 176.000 -0.196 0.000 0.954 575 Q CA 0.822 56.566 55.803 -0.098 0.000 0.901 575 Q CB 0.333 29.049 28.738 -0.035 0.000 0.981 575 Q HN 0.317 nan 8.270 nan 0.000 0.483 576 K N -0.149 120.068 120.400 -0.306 0.000 2.440 576 K HA 0.130 4.450 4.320 0.000 0.000 0.207 576 K C 1.497 177.774 176.600 -0.539 0.000 1.112 576 K CA 0.030 55.975 56.287 -0.569 0.000 1.036 576 K CB 0.748 32.716 32.500 -0.888 0.000 0.935 576 K HN 0.202 nan 8.250 nan 0.000 0.564 577 R N 0.757 121.037 120.500 -0.366 0.000 2.307 577 R HA 0.130 4.470 4.340 0.000 0.000 0.199 577 R C 0.802 176.912 176.300 -0.317 0.000 1.000 577 R CA 0.446 56.353 56.100 -0.322 0.000 1.023 577 R CB 0.043 30.087 30.300 -0.426 0.000 0.908 577 R HN -0.168 nan 8.270 nan 0.000 0.473 578 R N 0.716 121.051 120.500 -0.275 0.000 2.468 578 R HA 0.278 4.618 4.340 0.000 0.000 0.280 578 R C 0.357 176.553 176.300 -0.173 0.000 0.963 578 R CA 0.104 56.085 56.100 -0.199 0.000 1.083 578 R CB 0.369 30.569 30.300 -0.166 0.000 1.200 578 R HN 0.287 nan 8.270 nan 0.000 0.541 579 K N -0.237 120.008 120.400 -0.260 0.000 2.758 579 K HA 0.156 4.476 4.320 0.000 0.000 0.247 579 K C 0.679 177.158 176.600 -0.201 0.000 1.155 579 K CA 0.441 56.575 56.287 -0.255 0.000 1.011 579 K CB 0.267 32.520 32.500 -0.412 0.000 1.633 579 K HN 0.078 nan 8.250 nan 0.000 0.438 580 Y N -1.194 118.946 120.300 -0.268 0.000 2.610 580 Y HA 0.433 4.983 4.550 0.000 0.000 0.254 580 Y C -0.172 175.620 175.900 -0.180 0.000 1.110 580 Y CA -0.802 57.132 58.100 -0.277 0.000 1.238 580 Y CB 0.070 38.083 38.460 -0.746 0.000 1.322 580 Y HN -0.288 nan 8.280 nan 0.000 0.547 581 V N 3.330 123.042 119.914 -0.338 0.000 2.408 581 V HA 0.165 4.285 4.120 0.000 0.000 0.267 581 V C 1.030 177.173 176.094 0.081 0.000 1.047 581 V CA -0.109 62.078 62.300 -0.188 0.000 0.937 581 V CB 1.246 32.766 31.823 -0.505 0.000 0.999 581 V HN 0.377 nan 8.190 nan 0.000 0.472 582 V N 2.038 122.021 119.914 0.115 0.000 3.578 582 V HA 0.762 4.882 4.120 0.000 0.000 0.290 582 V C 0.628 176.585 176.094 -0.228 0.000 1.376 582 V CA 0.562 62.960 62.300 0.165 0.000 1.083 582 V CB -0.022 31.953 31.823 0.254 0.000 0.911 582 V HN 0.892 nan 8.190 nan 0.000 0.433 583 G N 0.632 109.174 108.800 -0.430 0.000 2.547 583 G HA2 0.605 4.565 3.960 0.000 0.000 0.291 583 G HA3 0.605 4.565 3.960 0.000 0.000 0.291 583 G C -1.767 172.904 174.900 -0.382 0.000 1.471 583 G CA -0.267 44.382 45.100 -0.752 0.000 0.798 583 G HN 0.565 nan 8.290 nan 0.000 0.504 584 E N -0.141 119.886 120.200 -0.288 0.000 2.290 584 E HA 0.650 5.000 4.350 0.000 0.000 0.274 584 E C -1.602 175.077 176.600 0.132 0.000 0.889 584 E CA -1.022 55.411 56.400 0.054 0.000 0.760 584 E CB 2.472 32.309 29.700 0.228 0.000 1.206 584 E HN 0.396 nan 8.360 nan 0.000 0.419 585 L N 4.036 125.388 121.223 0.214 0.000 2.404 585 L HA 0.498 4.838 4.340 0.000 0.000 0.272 585 L C -0.201 176.788 176.870 0.199 0.000 0.980 585 L CA -1.003 53.954 54.840 0.195 0.000 0.836 585 L CB 1.793 43.906 42.059 0.090 0.000 1.238 585 L HN 0.673 nan 8.230 nan 0.000 0.408 586 I N 2.970 123.611 120.570 0.118 0.000 2.634 586 I HA 0.069 4.239 4.170 0.000 0.000 0.284 586 I C -0.531 175.509 176.117 -0.128 0.000 1.124 586 I CA 0.038 61.164 61.300 -0.289 0.000 1.417 586 I CB 0.972 38.809 38.000 -0.271 0.000 1.396 586 I HN 0.677 nan 8.210 nan 0.000 0.571 587 W N 9.236 130.332 121.300 -0.341 0.000 2.308 587 W HA 0.311 4.971 4.660 0.000 0.000 0.311 587 W C -1.008 175.451 176.519 -0.099 0.000 1.088 587 W CA -0.442 56.848 57.345 -0.092 0.000 1.309 587 W CB 0.956 30.459 29.460 0.071 0.000 1.229 587 W HN 0.591 nan 8.180 nan 0.000 0.427 588 N N 4.037 122.533 118.700 -0.340 0.000 2.647 588 N HA 0.130 4.870 4.740 0.000 0.000 0.266 588 N C 0.276 175.660 175.510 -0.209 0.000 1.373 588 N CA -0.555 52.125 53.050 -0.617 0.000 0.807 588 N CB 1.079 38.956 38.487 -1.016 0.000 1.513 588 N HN 0.319 nan 8.380 nan 0.000 0.505 589 F N 1.681 121.465 119.950 -0.276 0.000 2.091 589 F HA 0.095 4.622 4.527 0.000 0.000 0.299 589 F C 0.597 176.441 175.800 0.074 0.000 1.103 589 F CA 1.733 59.698 58.000 -0.058 0.000 1.228 589 F CB 0.038 38.942 39.000 -0.159 0.000 0.984 589 F HN 0.537 nan 8.300 nan 0.000 0.477 590 A N -0.322 122.535 122.820 0.060 0.000 2.572 590 A HA 0.405 4.725 4.320 0.000 0.000 0.295 590 A C -1.365 176.306 177.584 0.145 0.000 1.072 590 A CA -0.865 51.190 52.037 0.029 0.000 0.691 590 A CB 0.428 19.455 19.000 0.045 0.000 1.291 590 A HN 0.087 nan 8.150 nan 0.000 0.404 591 D N 1.121 121.557 120.400 0.060 0.000 2.525 591 D HA 0.421 5.061 4.640 0.000 0.000 0.235 591 D C -0.296 176.095 176.300 0.153 0.000 1.137 591 D CA 1.503 55.518 54.000 0.025 0.000 0.868 591 D CB -0.068 40.709 40.800 -0.038 0.000 1.180 591 D HN 0.476 nan 8.370 nan 0.000 0.465 592 F N -0.593 119.399 119.950 0.070 0.000 2.643 592 F HA 0.545 5.072 4.527 0.000 0.000 0.314 592 F C -0.686 175.189 175.800 0.124 0.000 1.096 592 F CA -1.703 56.353 58.000 0.094 0.000 0.953 592 F CB 0.964 40.021 39.000 0.096 0.000 1.345 592 F HN 0.061 nan 8.300 nan 0.000 0.468 593 M N 2.707 122.527 119.600 0.366 0.000 2.235 593 M HA 0.582 5.062 4.480 0.000 0.000 0.351 593 M C -0.245 176.254 176.300 0.332 0.000 1.178 593 M CA 0.144 55.581 55.300 0.229 0.000 1.143 593 M CB 0.907 33.651 32.600 0.241 0.000 1.530 593 M HN 0.962 nan 8.290 nan 0.000 0.461 594 T N 0.727 115.378 114.554 0.162 0.000 2.838 594 T HA 0.583 4.933 4.350 0.000 0.000 0.292 594 T C -0.275 174.532 174.700 0.178 0.000 1.113 594 T CA -1.114 61.135 62.100 0.247 0.000 1.008 594 T CB 0.901 69.872 68.868 0.172 0.000 1.259 594 T HN 0.565 nan 8.240 nan 0.000 0.520 595 E N 1.015 121.360 120.200 0.242 0.000 2.422 595 E HA 0.081 4.431 4.350 0.000 0.000 0.260 595 E C 0.074 176.706 176.600 0.054 0.000 1.108 595 E CA 0.165 56.677 56.400 0.187 0.000 0.943 595 E CB 0.402 30.147 29.700 0.074 0.000 0.961 595 E HN 0.570 nan 8.360 nan 0.000 0.443 596 Q N 0.599 120.415 119.800 0.027 0.000 2.332 596 Q HA 0.241 4.581 4.340 0.000 0.000 0.263 596 Q C -0.240 175.753 176.000 -0.011 0.000 0.979 596 Q CA 0.121 55.918 55.803 -0.010 0.000 0.885 596 Q CB 0.853 29.574 28.738 -0.028 0.000 1.218 596 Q HN 0.505 nan 8.270 nan 0.000 0.405 597 S N 0.588 116.282 115.700 -0.009 0.000 2.578 597 S HA 0.339 4.809 4.470 0.000 0.000 0.272 597 S C -2.626 171.974 174.600 -0.000 0.000 1.145 597 S CA -1.206 56.992 58.200 -0.005 0.000 0.835 597 S CB 1.108 64.308 63.200 0.000 0.000 1.104 597 S HN 0.306 nan 8.310 nan 0.000 0.458 598 P HA 0.039 nan 4.420 nan 0.000 0.231 598 P C 1.153 178.459 177.300 0.010 0.000 1.158 598 P CA 1.373 64.469 63.100 -0.005 0.000 0.763 598 P CB -0.212 31.484 31.700 -0.007 0.000 0.805 599 T N -5.047 109.533 114.554 0.043 0.000 3.069 599 T HA 0.207 4.557 4.350 0.000 0.000 0.252 599 T C 0.785 175.566 174.700 0.136 0.000 1.053 599 T CA -0.263 61.900 62.100 0.105 0.000 0.964 599 T CB 0.010 68.956 68.868 0.129 0.000 1.005 599 T HN -0.172 nan 8.240 nan 0.000 0.532 600 R N 1.671 122.213 120.500 0.070 0.000 2.371 600 R HA 0.457 4.797 4.340 0.000 0.000 0.312 600 R C -1.284 175.017 176.300 0.003 0.000 0.980 600 R CA -0.557 55.573 56.100 0.050 0.000 0.867 600 R CB 1.779 32.098 30.300 0.033 0.000 1.163 600 R HN 0.138 nan 8.270 nan 0.000 0.492 601 V N 5.342 125.255 119.914 -0.002 0.000 2.313 601 V HA 0.108 4.228 4.120 0.000 0.000 0.252 601 V C 1.461 177.516 176.094 -0.066 0.000 1.112 601 V CA -0.383 61.884 62.300 -0.055 0.000 0.984 601 V CB -0.142 31.625 31.823 -0.094 0.000 1.157 601 V HN 0.770 nan 8.190 nan 0.000 0.493 602 L N 4.502 125.684 121.223 -0.068 0.000 3.677 602 L HA -0.267 4.073 4.340 0.000 0.000 0.464 602 L C 0.915 177.737 176.870 -0.080 0.000 1.278 602 L CA 0.682 55.477 54.840 -0.076 0.000 0.806 602 L CB -1.313 40.701 42.059 -0.075 0.000 1.610 602 L HN 1.089 nan 8.230 nan 0.000 0.867 603 G N -0.461 108.294 108.800 -0.076 0.000 2.500 603 G HA2 -0.229 3.731 3.960 0.000 0.000 0.209 603 G HA3 -0.229 3.731 3.960 0.000 0.000 0.209 603 G C -0.606 174.194 174.900 -0.168 0.000 1.283 603 G CA 0.024 45.058 45.100 -0.109 0.000 0.960 603 G HN 0.422 nan 8.290 nan 0.000 0.528 604 N N 0.686 119.147 118.700 -0.399 0.000 2.422 604 N HA 0.358 5.098 4.740 0.000 0.000 0.266 604 N C 0.330 175.628 175.510 -0.354 0.000 1.007 604 N CA -0.393 52.404 53.050 -0.421 0.000 0.941 604 N CB 0.988 39.001 38.487 -0.790 0.000 1.115 604 N HN 0.483 nan 8.380 nan 0.000 0.492 605 K N 3.113 123.413 120.400 -0.167 0.000 2.576 605 K HA 0.149 4.469 4.320 0.000 0.000 0.209 605 K C 0.390 176.907 176.600 -0.139 0.000 1.049 605 K CA -0.114 56.094 56.287 -0.131 0.000 1.140 605 K CB 0.486 32.939 32.500 -0.078 0.000 0.871 605 K HN 0.534 nan 8.250 nan 0.000 0.479 606 K N 0.773 121.110 120.400 -0.106 0.000 2.525 606 K HA 0.020 4.340 4.320 0.000 0.000 0.192 606 K C 0.962 177.501 176.600 -0.100 0.000 1.029 606 K CA -0.069 56.160 56.287 -0.097 0.000 1.029 606 K CB 0.187 32.755 32.500 0.112 0.000 0.814 606 K HN 0.131 nan 8.250 nan 0.000 0.503 607 G N 1.745 110.488 108.800 -0.095 0.000 2.414 607 G HA2 0.039 3.999 3.960 0.000 0.000 0.236 607 G HA3 0.039 3.999 3.960 0.000 0.000 0.236 607 G C 0.982 175.771 174.900 -0.185 0.000 1.293 607 G CA -0.379 44.651 45.100 -0.116 0.000 0.869 607 G HN 0.299 nan 8.290 nan 0.000 0.556 608 I N -0.887 119.525 120.570 -0.262 0.000 2.761 608 I HA 0.302 4.472 4.170 0.000 0.000 0.261 608 I C 0.048 175.785 176.117 -0.634 0.000 1.198 608 I CA 0.066 61.116 61.300 -0.418 0.000 1.482 608 I CB -0.108 37.600 38.000 -0.487 0.000 1.100 608 I HN 0.146 nan 8.210 nan 0.000 0.445 609 F N 2.047 121.793 119.950 -0.339 0.000 2.470 609 F HA 0.433 4.960 4.527 0.000 0.000 0.329 609 F C 1.204 176.859 175.800 -0.241 0.000 1.072 609 F CA -0.993 56.797 58.000 -0.349 0.000 0.989 609 F CB 1.343 39.987 39.000 -0.594 0.000 1.193 609 F HN -0.101 nan 8.300 nan 0.000 0.481 610 T N -1.610 112.953 114.554 0.015 0.000 2.748 610 T HA 0.134 4.484 4.350 0.000 0.000 0.304 610 T C 1.283 175.976 174.700 -0.011 0.000 1.041 610 T CA -0.553 61.539 62.100 -0.013 0.000 1.033 610 T CB 0.761 69.622 68.868 -0.011 0.000 0.995 610 T HN 0.752 nan 8.240 nan 0.000 0.536 611 R N 0.029 120.525 120.500 -0.007 0.000 2.200 611 R HA -0.101 4.239 4.340 0.000 0.000 0.234 611 R C 1.606 177.896 176.300 -0.017 0.000 1.127 611 R CA 1.330 57.434 56.100 0.006 0.000 0.989 611 R CB -0.192 30.117 30.300 0.015 0.000 0.869 611 R HN 0.665 nan 8.270 nan 0.000 0.459 612 Q N -0.335 119.449 119.800 -0.027 0.000 2.280 612 Q HA 0.132 4.472 4.340 0.000 0.000 0.202 612 Q C -0.468 175.494 176.000 -0.063 0.000 0.903 612 Q CA 0.044 55.824 55.803 -0.039 0.000 0.948 612 Q CB 0.669 29.390 28.738 -0.028 0.000 1.058 612 Q HN 0.052 nan 8.270 nan 0.000 0.493 613 R N 0.267 120.717 120.500 -0.083 0.000 3.418 613 R HA -0.124 4.216 4.340 0.000 0.000 0.274 613 R C -1.076 175.139 176.300 -0.141 0.000 1.108 613 R CA 0.412 56.404 56.100 -0.180 0.000 0.741 613 R CB -1.827 28.354 30.300 -0.199 0.000 1.223 613 R HN 0.164 nan 8.270 nan 0.000 0.434 614 Q N 0.008 119.801 119.800 -0.012 0.000 2.377 614 Q HA 0.516 4.856 4.340 0.000 0.000 0.271 614 Q C -2.390 173.691 176.000 0.134 0.000 1.077 614 Q CA -2.159 53.666 55.803 0.036 0.000 0.820 614 Q CB 2.057 30.799 28.738 0.007 0.000 1.347 614 Q HN -0.048 nan 8.270 nan 0.000 0.444 615 P HA 0.194 nan 4.420 nan 0.000 0.280 615 P C -0.523 176.760 177.300 -0.027 0.000 1.244 615 P CA -0.238 62.783 63.100 -0.132 0.000 0.784 615 P CB 1.211 32.718 31.700 -0.322 0.000 0.913 616 K N 1.290 121.618 120.400 -0.121 0.000 2.149 616 K HA 0.183 4.503 4.320 0.000 0.000 0.245 616 K C 1.719 178.378 176.600 0.099 0.000 1.024 616 K CA -0.421 55.857 56.287 -0.014 0.000 0.899 616 K CB 0.091 32.545 32.500 -0.077 0.000 1.038 616 K HN 0.294 nan 8.250 nan 0.000 0.496 617 S N 0.773 116.566 115.700 0.155 0.000 2.382 617 S HA -0.192 4.278 4.470 0.000 0.000 0.228 617 S C 1.877 176.612 174.600 0.225 0.000 1.027 617 S CA 1.495 59.846 58.200 0.253 0.000 0.991 617 S CB -0.259 63.045 63.200 0.173 0.000 0.823 617 S HN 0.709 nan 8.310 nan 0.000 0.469 618 A N 1.345 124.211 122.820 0.076 0.000 2.019 618 A HA 0.109 4.429 4.320 0.000 0.000 0.219 618 A C 2.294 179.848 177.584 -0.049 0.000 1.164 618 A CA 1.544 53.592 52.037 0.018 0.000 0.644 618 A CB -0.883 18.093 19.000 -0.040 0.000 0.805 618 A HN 0.511 nan 8.150 nan 0.000 0.449 619 A N -0.784 121.938 122.820 -0.164 0.000 1.940 619 A HA -0.073 4.247 4.320 0.000 0.000 0.219 619 A C 1.898 179.335 177.584 -0.245 0.000 1.176 619 A CA 1.612 53.430 52.037 -0.364 0.000 0.631 619 A CB -0.760 17.809 19.000 -0.717 0.000 0.814 619 A HN 0.505 nan 8.150 nan 0.000 0.446 620 F N -0.411 119.539 119.950 0.000 0.000 2.186 620 F HA -0.058 4.469 4.527 0.000 0.000 0.299 620 F C 2.105 177.875 175.800 -0.050 0.000 1.090 620 F CA 1.201 59.202 58.000 0.001 0.000 1.307 620 F CB -0.379 38.659 39.000 0.064 0.000 1.019 620 F HN 0.274 nan 8.300 nan 0.000 0.489 621 L N -0.279 121.031 121.223 0.145 0.000 1.994 621 L HA -0.210 4.130 4.340 0.000 0.000 0.208 621 L C 2.344 179.226 176.870 0.020 0.000 1.071 621 L CA 1.412 56.306 54.840 0.090 0.000 0.745 621 L CB -0.421 41.699 42.059 0.101 0.000 0.892 621 L HN 0.181 nan 8.230 nan 0.000 0.431 622 L N 0.495 121.680 121.223 -0.063 0.000 2.046 622 L HA -0.220 4.120 4.340 0.000 0.000 0.208 622 L C 2.825 179.453 176.870 -0.403 0.000 1.077 622 L CA 1.925 56.604 54.840 -0.269 0.000 0.747 622 L CB -0.677 41.163 42.059 -0.366 0.000 0.896 622 L HN 0.301 nan 8.230 nan 0.000 0.432 623 R N -0.744 119.596 120.500 -0.266 0.000 2.083 623 R HA -0.181 4.159 4.340 0.000 0.000 0.237 623 R C 2.100 178.425 176.300 0.041 0.000 1.137 623 R CA 1.577 57.578 56.100 -0.164 0.000 0.951 623 R CB -0.183 29.871 30.300 -0.410 0.000 0.851 623 R HN 0.348 nan 8.270 nan 0.000 0.434 624 E N 0.563 120.766 120.200 0.004 0.000 2.058 624 E HA -0.260 4.090 4.350 0.000 0.000 0.194 624 E C 1.966 178.599 176.600 0.056 0.000 0.997 624 E CA 1.388 57.817 56.400 0.048 0.000 0.801 624 E CB -0.354 29.367 29.700 0.034 0.000 0.746 624 E HN 0.400 nan 8.360 nan 0.000 0.450 625 R N -0.295 120.201 120.500 -0.007 0.000 2.083 625 R HA -0.183 4.157 4.340 0.000 0.000 0.237 625 R C 2.320 178.650 176.300 0.049 0.000 1.137 625 R CA 1.364 57.448 56.100 -0.026 0.000 0.951 625 R CB -0.283 29.919 30.300 -0.163 0.000 0.851 625 R HN 0.142 nan 8.270 nan 0.000 0.434 626 Y N -0.696 119.503 120.300 -0.168 0.000 2.181 626 Y HA -0.206 4.344 4.550 0.000 0.000 0.288 626 Y C 1.981 177.600 175.900 -0.468 0.000 1.146 626 Y CA 0.599 58.478 58.100 -0.369 0.000 1.164 626 Y CB -0.938 37.370 38.460 -0.254 0.000 0.982 626 Y HN 0.189 nan 8.280 nan 0.000 0.515 627 W N 0.624 121.885 121.300 -0.064 0.000 2.388 627 W HA -0.112 4.548 4.660 0.000 0.000 0.294 627 W C 2.619 179.057 176.519 -0.135 0.000 1.212 627 W CA 1.730 59.009 57.345 -0.110 0.000 1.271 627 W CB -0.383 29.023 29.460 -0.090 0.000 1.126 627 W HN -0.080 nan 8.180 nan 0.000 0.535 628 K N 0.873 121.323 120.400 0.083 0.000 2.032 628 K HA -0.215 4.105 4.320 0.000 0.000 0.209 628 K C 1.734 178.279 176.600 -0.092 0.000 1.048 628 K CA 2.036 58.321 56.287 -0.003 0.000 0.927 628 K CB -0.587 31.905 32.500 -0.013 0.000 0.712 628 K HN 0.143 nan 8.250 nan 0.000 0.441 629 I N 1.216 121.680 120.570 -0.177 0.000 2.226 629 I HA -0.248 3.922 4.170 0.000 0.000 0.245 629 I C 2.576 178.533 176.117 -0.266 0.000 1.100 629 I CA 1.211 62.354 61.300 -0.262 0.000 1.374 629 I CB -0.433 37.348 38.000 -0.365 0.000 1.057 629 I HN 0.307 nan 8.210 nan 0.000 0.413 630 A N 0.279 122.888 122.820 -0.350 0.000 1.978 630 A HA -0.259 4.061 4.320 0.000 0.000 0.220 630 A C 2.104 179.611 177.584 -0.128 0.000 1.170 630 A CA 1.956 53.849 52.037 -0.240 0.000 0.636 630 A CB -0.902 17.889 19.000 -0.349 0.000 0.810 630 A HN 0.544 nan 8.150 nan 0.000 0.448 631 N N -0.935 117.716 118.700 -0.083 0.000 2.463 631 N HA -0.072 4.668 4.740 0.000 0.000 0.181 631 N C 1.417 176.889 175.510 -0.063 0.000 1.078 631 N CA 0.503 53.529 53.050 -0.041 0.000 0.902 631 N CB 0.054 38.545 38.487 0.006 0.000 0.970 631 N HN 0.643 nan 8.380 nan 0.000 0.451 632 E N -0.142 120.005 120.200 -0.088 0.000 2.028 632 E HA -0.052 4.298 4.350 0.000 0.000 0.191 632 E C 0.237 176.786 176.600 -0.085 0.000 0.988 632 E CA 0.797 57.143 56.400 -0.090 0.000 0.799 632 E CB 0.031 29.660 29.700 -0.118 0.000 0.755 632 E HN 0.162 nan 8.360 nan 0.000 0.447 633 T N 0.000 114.501 114.554 -0.089 0.000 3.816 633 T HA 0.000 4.350 4.350 0.000 0.000 0.228 633 T CA 0.000 62.053 62.100 -0.078 0.000 1.349 633 T CB 0.000 68.816 68.868 -0.087 0.000 0.612 633 T HN 0.000 nan 8.240 nan 0.000 0.658