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 3igh_1_X DATA FIRST_RESID 18 DATA SEQUENCE SLKALINGTI YTSFNPLKKV SGLVISHGKV IYAGDSEVAK KIVELSGGEI DATA SEQUENCE VDLKGKYVMP AFFDSHLHLD ELGMSLEMVD LRGAKSIEEL IQRLKRGKGR DATA SEQUENCE IIFGFGWDQD ELGEWPTRKE LNAIDKPVFI YRKCFHVAVA NDKMLELLNL DATA SEQUENCE TPSKDFDEDT GIIKEKSLEE ARKVINERVL TVEDYVYYIK RAQEHLLDLG DATA SEQUENCE VKSVSFMSVN EKALRALFYL EREGKLSINV FAYVTPEVLD KLESIGLGRF DATA SEQUENCE QGNRLTIAGV KLFTDGSLGA RTALLSKPYS DDPSTSGQLV MEREELIRIT DATA SEQUENCE EKARSLGLDV AIHAIGDKAL DVALDVFETT GFPGRIEHAS LVRDDQLERV DATA SEQUENCE KNLKVRLSVQ PHFIISDWWI VERVGEERVK WVYRFKDLMK VAELGFSTDS DATA SEQUENCE PIEPADPWLT VDAAVNRGKG KVKLYELTKD QALDIKDALH SYTYGSARVS DATA SEQUENCE LASDIGKLEP GFKAEYIILD RDPLVVKEGH HHH 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 18 S HA 0.000 nan 4.470 nan 0.000 0.327 18 S C 0.000 174.647 174.600 0.079 0.000 1.055 18 S CA 0.000 58.247 58.200 0.078 0.000 1.107 18 S CB 0.000 63.241 63.200 0.068 0.000 0.593 19 L N 3.317 124.575 121.223 0.057 0.000 2.265 19 L HA 0.638 4.978 4.340 -0.001 0.000 0.289 19 L C -0.345 176.553 176.870 0.047 0.000 1.033 19 L CA 0.010 54.883 54.840 0.054 0.000 0.814 19 L CB 0.636 42.718 42.059 0.038 0.000 1.203 19 L HN 0.712 nan 8.230 nan 0.000 0.423 20 K N 4.061 124.494 120.400 0.054 0.000 2.385 20 K HA 0.957 5.276 4.320 -0.001 0.000 0.248 20 K C -1.456 175.166 176.600 0.037 0.000 0.955 20 K CA -0.902 55.412 56.287 0.046 0.000 0.816 20 K CB 2.072 34.607 32.500 0.057 0.000 1.250 20 K HN 0.439 nan 8.250 nan 0.000 0.434 21 A N 3.150 125.983 122.820 0.023 0.000 2.330 21 A HA 0.574 4.894 4.320 -0.001 0.000 0.327 21 A C -0.865 176.713 177.584 -0.009 0.000 1.155 21 A CA -1.045 50.999 52.037 0.012 0.000 0.803 21 A CB 0.676 19.682 19.000 0.011 0.000 1.208 21 A HN 0.679 nan 8.150 nan 0.000 0.477 22 L N 3.868 125.065 121.223 -0.042 0.000 2.276 22 L HA 0.571 4.910 4.340 -0.001 0.000 0.286 22 L C -0.397 176.434 176.870 -0.066 0.000 1.024 22 L CA -0.319 54.474 54.840 -0.078 0.000 0.826 22 L CB 0.624 42.573 42.059 -0.182 0.000 1.211 22 L HN 0.792 nan 8.230 nan 0.000 0.422 23 I N 0.070 120.610 120.570 -0.049 0.000 3.108 23 I HA 0.598 4.767 4.170 -0.001 0.000 0.312 23 I C 0.167 176.250 176.117 -0.056 0.000 1.095 23 I CA -0.922 60.352 61.300 -0.044 0.000 1.000 23 I CB 1.853 39.839 38.000 -0.024 0.000 1.229 23 I HN 0.534 nan 8.210 nan 0.000 0.454 24 N N 1.405 120.068 118.700 -0.061 0.000 2.727 24 N HA -0.066 4.673 4.740 -0.001 0.000 0.251 24 N C -0.647 174.803 175.510 -0.100 0.000 1.040 24 N CA 1.208 54.216 53.050 -0.069 0.000 0.712 24 N CB -1.010 37.448 38.487 -0.048 0.000 0.912 24 N HN 1.337 nan 8.380 nan 0.000 0.545 25 G N -1.525 107.194 108.800 -0.136 0.000 2.663 25 G HA2 0.621 4.580 3.960 -0.001 0.000 0.299 25 G HA3 0.621 4.580 3.960 -0.001 0.000 0.299 25 G C -1.379 173.367 174.900 -0.258 0.000 1.372 25 G CA -0.275 44.704 45.100 -0.202 0.000 0.781 25 G HN 0.144 nan 8.290 nan 0.000 0.491 26 T N 1.102 115.431 114.554 -0.375 0.000 2.821 26 T HA 0.520 4.869 4.350 -0.001 0.000 0.307 26 T C -0.299 174.240 174.700 -0.268 0.000 1.034 26 T CA 0.060 61.932 62.100 -0.379 0.000 0.953 26 T CB 0.430 68.984 68.868 -0.523 0.000 0.968 26 T HN 0.342 nan 8.240 nan 0.000 0.462 27 I N 3.726 124.132 120.570 -0.274 0.000 2.354 27 I HA 0.320 4.489 4.170 -0.001 0.000 0.286 27 I C -0.676 175.273 176.117 -0.280 0.000 1.007 27 I CA -0.896 60.286 61.300 -0.197 0.000 1.167 27 I CB 0.857 38.745 38.000 -0.187 0.000 1.320 27 I HN 0.555 nan 8.210 nan 0.000 0.458 28 Y N 4.364 124.589 120.300 -0.126 0.000 2.393 28 Y HA 0.124 4.674 4.550 -0.001 0.000 0.338 28 Y C 1.747 177.430 175.900 -0.362 0.000 1.029 28 Y CA -0.178 57.758 58.100 -0.273 0.000 1.239 28 Y CB 1.041 39.271 38.460 -0.382 0.000 1.170 28 Y HN 0.654 nan 8.280 nan 0.000 0.515 29 T N -2.085 112.325 114.554 -0.241 0.000 3.037 29 T HA 0.201 4.551 4.350 -0.001 0.000 0.252 29 T C 0.478 174.961 174.700 -0.363 0.000 1.073 29 T CA 0.295 62.230 62.100 -0.275 0.000 1.091 29 T CB 0.236 68.959 68.868 -0.243 0.000 0.935 29 T HN 0.416 nan 8.240 nan 0.000 0.488 30 S N -1.290 114.170 115.700 -0.399 0.000 2.537 30 S HA 0.622 5.091 4.470 -0.001 0.000 0.271 30 S C -1.097 173.273 174.600 -0.383 0.000 1.148 30 S CA -0.745 57.233 58.200 -0.371 0.000 0.868 30 S CB 0.931 63.967 63.200 -0.274 0.000 1.115 30 S HN 0.076 nan 8.310 nan 0.000 0.461 31 F N 1.844 121.799 119.950 0.007 0.000 2.553 31 F HA 0.488 5.014 4.527 -0.001 0.000 0.282 31 F C 0.794 176.569 175.800 -0.042 0.000 1.089 31 F CA -0.138 57.870 58.000 0.014 0.000 1.411 31 F CB 0.271 39.288 39.000 0.028 0.000 1.125 31 F HN 0.387 nan 8.300 nan 0.000 0.610 32 N N 0.994 119.733 118.700 0.064 0.000 2.626 32 N HA 0.309 5.048 4.740 -0.001 0.000 0.249 32 N C -2.810 172.597 175.510 -0.171 0.000 1.021 32 N CA -1.604 51.325 53.050 -0.202 0.000 0.886 32 N CB 1.161 39.229 38.487 -0.698 0.000 1.149 32 N HN -0.115 nan 8.380 nan 0.000 0.517 33 P HA 0.186 nan 4.420 nan 0.000 0.276 33 P C -0.239 177.036 177.300 -0.042 0.000 1.244 33 P CA -0.752 62.307 63.100 -0.069 0.000 0.801 33 P CB 0.878 32.540 31.700 -0.064 0.000 1.006 34 L N 2.534 123.759 121.223 0.004 0.000 2.418 34 L HA 0.180 4.519 4.340 -0.001 0.000 0.274 34 L C -0.120 176.746 176.870 -0.007 0.000 1.135 34 L CA 0.932 55.797 54.840 0.042 0.000 0.870 34 L CB -0.618 41.508 42.059 0.111 0.000 1.154 34 L HN 0.233 nan 8.230 nan 0.000 0.462 35 K N 5.434 125.802 120.400 -0.052 0.000 2.471 35 K HA 0.523 4.843 4.320 -0.001 0.000 0.252 35 K C -1.135 175.380 176.600 -0.143 0.000 0.938 35 K CA -0.852 55.375 56.287 -0.099 0.000 0.796 35 K CB 2.060 34.479 32.500 -0.136 0.000 1.161 35 K HN 0.431 nan 8.250 nan 0.000 0.425 36 K N 1.300 121.592 120.400 -0.179 0.000 2.316 36 K HA 0.576 4.896 4.320 -0.001 0.000 0.251 36 K C -0.499 175.961 176.600 -0.234 0.000 0.934 36 K CA -0.948 55.161 56.287 -0.296 0.000 0.802 36 K CB 2.195 34.456 32.500 -0.399 0.000 1.171 36 K HN 0.406 nan 8.250 nan 0.000 0.426 37 V N -2.000 117.764 119.914 -0.249 0.000 3.158 37 V HA 0.540 4.659 4.120 -0.001 0.000 0.311 37 V C 0.359 176.337 176.094 -0.194 0.000 1.181 37 V CA -0.560 61.618 62.300 -0.203 0.000 1.054 37 V CB 1.852 33.545 31.823 -0.215 0.000 1.085 37 V HN 0.870 nan 8.190 nan 0.000 0.446 38 S N -0.944 114.669 115.700 -0.145 0.000 2.523 38 S HA 0.592 5.061 4.470 -0.001 0.000 0.217 38 S C 0.679 175.222 174.600 -0.094 0.000 0.996 38 S CA 0.321 58.446 58.200 -0.125 0.000 0.921 38 S CB 0.219 63.362 63.200 -0.095 0.000 0.829 38 S HN 1.879 nan 8.310 nan 0.000 0.495 39 G N 0.843 109.595 108.800 -0.079 0.000 2.731 39 G HA2 0.640 4.599 3.960 -0.001 0.000 0.298 39 G HA3 0.640 4.599 3.960 -0.001 0.000 0.298 39 G C -1.646 173.228 174.900 -0.043 0.000 1.424 39 G CA -0.684 44.399 45.100 -0.027 0.000 1.029 39 G HN 0.257 nan 8.290 nan 0.000 0.518 40 L N 1.400 122.601 121.223 -0.037 0.000 2.362 40 L HA 0.662 5.002 4.340 -0.001 0.000 0.271 40 L C -0.541 176.358 176.870 0.048 0.000 1.002 40 L CA -1.235 53.584 54.840 -0.035 0.000 0.818 40 L CB 2.506 44.491 42.059 -0.124 0.000 1.298 40 L HN 0.254 nan 8.230 nan 0.000 0.420 41 V N 3.943 123.924 119.914 0.111 0.000 2.448 41 V HA 0.490 4.610 4.120 -0.001 0.000 0.295 41 V C -0.183 175.961 176.094 0.083 0.000 1.025 41 V CA -0.398 61.964 62.300 0.103 0.000 0.859 41 V CB 1.979 33.884 31.823 0.138 0.000 0.988 41 V HN 0.478 nan 8.190 nan 0.000 0.431 42 I N 3.461 124.074 120.570 0.072 0.000 2.406 42 I HA 0.524 4.693 4.170 -0.001 0.000 0.290 42 I C -0.047 176.124 176.117 0.091 0.000 0.999 42 I CA -0.118 61.234 61.300 0.088 0.000 1.124 42 I CB 2.042 40.105 38.000 0.105 0.000 1.289 42 I HN 0.599 nan 8.210 nan 0.000 0.441 43 S N 4.435 120.196 115.700 0.101 0.000 2.605 43 S HA 0.365 4.835 4.470 -0.001 0.000 0.308 43 S C -0.122 174.576 174.600 0.164 0.000 1.113 43 S CA -0.322 57.947 58.200 0.115 0.000 1.049 43 S CB 0.078 63.335 63.200 0.095 0.000 1.001 43 S HN 0.770 nan 8.310 nan 0.000 0.480 44 H N 3.341 122.439 119.070 0.046 0.000 2.604 44 H HA -0.207 4.348 4.556 -0.001 0.000 0.321 44 H C 1.188 176.545 175.328 0.049 0.000 1.132 44 H CA 1.790 57.862 56.048 0.041 0.000 1.129 44 H CB -1.216 28.563 29.762 0.030 0.000 1.526 44 H HN 1.595 nan 8.280 nan 0.000 0.415 45 G N 0.152 108.932 108.800 -0.032 0.000 2.162 45 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.260 45 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.260 45 G C 0.232 175.160 174.900 0.046 0.000 0.976 45 G CA 0.541 45.622 45.100 -0.032 0.000 0.655 45 G HN 0.672 nan 8.290 nan 0.000 0.533 46 K N -0.156 120.293 120.400 0.082 0.000 2.371 46 K HA 0.577 4.896 4.320 -0.001 0.000 0.251 46 K C 0.051 176.720 176.600 0.114 0.000 0.934 46 K CA -0.960 55.390 56.287 0.106 0.000 0.798 46 K CB 2.905 35.461 32.500 0.094 0.000 1.204 46 K HN 0.006 nan 8.250 nan 0.000 0.427 47 V N 4.598 124.589 119.914 0.128 0.000 2.521 47 V HA 0.030 4.150 4.120 -0.001 0.000 0.286 47 V C 1.240 177.395 176.094 0.102 0.000 1.034 47 V CA 0.355 62.719 62.300 0.106 0.000 1.045 47 V CB 0.218 32.100 31.823 0.099 0.000 0.974 47 V HN 0.762 nan 8.190 nan 0.000 0.480 48 I N 2.036 122.668 120.570 0.103 0.000 4.323 48 I HA 0.433 4.603 4.170 -0.001 0.000 0.328 48 I C 0.130 176.348 176.117 0.168 0.000 1.310 48 I CA 0.092 61.461 61.300 0.114 0.000 1.186 48 I CB 0.512 38.573 38.000 0.101 0.000 1.130 48 I HN 0.491 nan 8.210 nan 0.000 0.411 49 Y N 2.032 122.340 120.300 0.012 0.000 2.470 49 Y HA 0.771 5.321 4.550 -0.001 0.000 0.341 49 Y C -1.498 174.391 175.900 -0.017 0.000 1.021 49 Y CA -1.268 56.831 58.100 -0.002 0.000 1.025 49 Y CB 1.944 40.398 38.460 -0.009 0.000 1.266 49 Y HN 0.098 nan 8.280 nan 0.000 0.448 50 A N 3.875 126.254 122.820 -0.735 0.000 2.357 50 A HA 0.894 5.214 4.320 -0.001 0.000 0.295 50 A C -0.269 176.766 177.584 -0.916 0.000 1.121 50 A CA 0.196 51.862 52.037 -0.620 0.000 0.742 50 A CB 0.757 19.562 19.000 -0.324 0.000 1.181 50 A HN 1.567 nan 8.150 nan 0.000 0.454 51 G N 1.073 109.438 108.800 -0.726 0.000 2.552 51 G HA2 0.379 4.339 3.960 -0.001 0.000 0.137 51 G HA3 0.379 4.339 3.960 -0.001 0.000 0.137 51 G C -1.257 173.603 174.900 -0.067 0.000 1.135 51 G CA -0.031 44.824 45.100 -0.408 0.000 1.047 51 G HN 0.754 nan 8.290 nan 0.000 0.501 52 D N 0.162 120.636 120.400 0.124 0.000 2.424 52 D HA 0.427 5.067 4.640 -0.001 0.000 0.244 52 D C 1.644 178.018 176.300 0.124 0.000 1.134 52 D CA 0.926 54.984 54.000 0.097 0.000 0.881 52 D CB 1.634 42.485 40.800 0.086 0.000 1.191 52 D HN 0.305 nan 8.370 nan 0.000 0.445 53 S N 2.447 118.170 115.700 0.038 0.000 2.383 53 S HA -0.185 4.284 4.470 -0.001 0.000 0.229 53 S C 1.610 176.220 174.600 0.017 0.000 1.030 53 S CA 1.083 59.295 58.200 0.019 0.000 1.002 53 S CB -0.190 62.998 63.200 -0.020 0.000 0.829 53 S HN 0.505 nan 8.310 nan 0.000 0.467 54 E N 0.558 120.762 120.200 0.008 0.000 2.106 54 E HA -0.044 4.306 4.350 -0.001 0.000 0.192 54 E C 2.272 178.854 176.600 -0.030 0.000 0.984 54 E CA 0.982 57.376 56.400 -0.011 0.000 0.806 54 E CB -0.530 29.162 29.700 -0.014 0.000 0.750 54 E HN 0.459 nan 8.360 nan 0.000 0.458 55 V N 1.634 121.530 119.914 -0.029 0.000 2.343 55 V HA -0.244 3.876 4.120 -0.001 0.000 0.247 55 V C 2.488 178.458 176.094 -0.206 0.000 1.051 55 V CA 1.766 63.986 62.300 -0.133 0.000 1.036 55 V CB -0.936 30.788 31.823 -0.164 0.000 0.654 55 V HN 0.222 nan 8.190 nan 0.000 0.451 56 A N 0.040 122.819 122.820 -0.068 0.000 1.883 56 A HA -0.302 4.017 4.320 -0.001 0.000 0.217 56 A C 2.348 179.910 177.584 -0.037 0.000 1.186 56 A CA 2.395 54.426 52.037 -0.011 0.000 0.624 56 A CB -0.532 18.554 19.000 0.143 0.000 0.822 56 A HN 0.537 nan 8.150 nan 0.000 0.444 57 K N -0.252 120.132 120.400 -0.027 0.000 2.097 57 K HA -0.165 4.154 4.320 -0.001 0.000 0.206 57 K C 2.154 178.729 176.600 -0.041 0.000 1.049 57 K CA 1.752 58.023 56.287 -0.026 0.000 0.933 57 K CB -0.161 32.327 32.500 -0.020 0.000 0.717 57 K HN 0.452 nan 8.250 nan 0.000 0.442 58 K N 0.652 121.015 120.400 -0.061 0.000 2.057 58 K HA -0.109 4.211 4.320 -0.001 0.000 0.206 58 K C 2.006 178.561 176.600 -0.075 0.000 1.050 58 K CA 1.445 57.693 56.287 -0.066 0.000 0.935 58 K CB -0.090 32.362 32.500 -0.079 0.000 0.715 58 K HN 0.126 nan 8.250 nan 0.000 0.439 59 I N 0.581 121.086 120.570 -0.107 0.000 2.163 59 I HA -0.297 3.872 4.170 -0.001 0.000 0.243 59 I C 2.074 178.158 176.117 -0.054 0.000 1.085 59 I CA 1.153 62.392 61.300 -0.101 0.000 1.347 59 I CB -0.136 37.773 38.000 -0.151 0.000 1.044 59 I HN -0.002 nan 8.210 nan 0.000 0.408 60 V N 0.162 120.053 119.914 -0.039 0.000 2.809 60 V HA -0.184 3.935 4.120 -0.001 0.000 0.256 60 V C 2.214 178.298 176.094 -0.015 0.000 1.080 60 V CA 1.422 63.712 62.300 -0.017 0.000 1.102 60 V CB -0.578 31.242 31.823 -0.004 0.000 0.705 60 V HN 0.405 nan 8.190 nan 0.000 0.475 61 E N 0.168 120.355 120.200 -0.023 0.000 2.072 61 E HA -0.136 4.213 4.350 -0.001 0.000 0.191 61 E C 2.218 178.807 176.600 -0.019 0.000 0.985 61 E CA 1.081 57.469 56.400 -0.019 0.000 0.801 61 E CB -0.108 29.579 29.700 -0.022 0.000 0.750 61 E HN 0.498 nan 8.360 nan 0.000 0.452 62 L N 0.663 121.871 121.223 -0.026 0.000 2.056 62 L HA -0.160 4.180 4.340 -0.001 0.000 0.207 62 L C 2.669 179.529 176.870 -0.018 0.000 1.078 62 L CA 1.374 56.200 54.840 -0.024 0.000 0.749 62 L CB -0.423 41.617 42.059 -0.032 0.000 0.901 62 L HN 0.191 nan 8.230 nan 0.000 0.433 63 S N -0.602 115.087 115.700 -0.017 0.000 2.436 63 S HA 0.162 4.632 4.470 -0.001 0.000 0.228 63 S C 1.111 175.708 174.600 -0.004 0.000 1.014 63 S CA 0.294 58.488 58.200 -0.010 0.000 0.950 63 S CB -0.293 62.903 63.200 -0.007 0.000 0.784 63 S HN 0.543 nan 8.310 nan 0.000 0.504 64 G N -0.597 108.200 108.800 -0.004 0.000 2.879 64 G HA2 0.473 4.433 3.960 -0.001 0.000 0.686 64 G HA3 0.473 4.433 3.960 -0.001 0.000 0.686 64 G C -0.034 174.870 174.900 0.006 0.000 1.115 64 G CA -0.625 44.475 45.100 0.000 0.000 0.770 64 G HN 1.817 nan 8.290 nan 0.000 0.601 65 G N 0.247 109.052 108.800 0.009 0.000 2.369 65 G HA2 0.562 4.522 3.960 -0.001 0.000 0.293 65 G HA3 0.562 4.522 3.960 -0.001 0.000 0.293 65 G C -0.668 174.241 174.900 0.016 0.000 1.301 65 G CA 0.188 45.298 45.100 0.016 0.000 0.913 65 G HN 1.218 nan 8.290 nan 0.000 0.540 66 E N -0.528 119.686 120.200 0.023 0.000 2.289 66 E HA 0.512 4.861 4.350 -0.001 0.000 0.278 66 E C -0.370 176.242 176.600 0.020 0.000 1.032 66 E CA -0.469 55.944 56.400 0.023 0.000 0.854 66 E CB 0.658 30.377 29.700 0.031 0.000 1.046 66 E HN 0.345 nan 8.360 nan 0.000 0.409 67 I N 4.856 125.434 120.570 0.014 0.000 2.354 67 I HA 0.178 4.348 4.170 -0.001 0.000 0.286 67 I C -0.725 175.398 176.117 0.010 0.000 1.007 67 I CA -0.841 60.465 61.300 0.009 0.000 1.167 67 I CB 1.684 39.685 38.000 0.002 0.000 1.320 67 I HN 0.247 nan 8.210 nan 0.000 0.458 68 V N 5.084 125.005 119.914 0.011 0.000 2.364 68 V HA 0.155 4.274 4.120 -0.001 0.000 0.272 68 V C -0.013 176.081 176.094 -0.000 0.000 1.036 68 V CA -0.450 61.858 62.300 0.013 0.000 0.880 68 V CB 1.355 33.195 31.823 0.027 0.000 0.991 68 V HN 0.598 nan 8.190 nan 0.000 0.460 69 D N 4.047 124.448 120.400 0.001 0.000 2.325 69 D HA 0.204 4.844 4.640 -0.001 0.000 0.251 69 D C 0.877 177.174 176.300 -0.005 0.000 1.196 69 D CA 0.046 54.042 54.000 -0.007 0.000 0.866 69 D CB 1.365 42.162 40.800 -0.005 0.000 1.101 69 D HN 0.429 nan 8.370 nan 0.000 0.476 70 L N 3.297 124.508 121.223 -0.020 0.000 2.395 70 L HA 0.013 4.352 4.340 -0.001 0.000 0.218 70 L C 1.148 178.009 176.870 -0.014 0.000 1.130 70 L CA 0.223 55.053 54.840 -0.018 0.000 0.826 70 L CB -0.298 41.731 42.059 -0.049 0.000 0.941 70 L HN 0.532 nan 8.230 nan 0.000 0.451 71 K N 0.319 120.705 120.400 -0.023 0.000 3.148 71 K HA -0.246 4.073 4.320 -0.001 0.000 0.267 71 K C 0.966 177.550 176.600 -0.027 0.000 0.996 71 K CA 0.230 56.507 56.287 -0.018 0.000 0.737 71 K CB -1.908 30.592 32.500 0.001 0.000 1.308 71 K HN 0.609 nan 8.250 nan 0.000 0.470 72 G N -0.316 108.441 108.800 -0.071 0.000 2.184 72 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.264 72 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.264 72 G C 0.221 175.007 174.900 -0.191 0.000 0.975 72 G CA 0.884 45.910 45.100 -0.124 0.000 0.642 72 G HN 0.398 nan 8.290 nan 0.000 0.536 73 K N -0.650 119.698 120.400 -0.086 0.000 2.230 73 K HA 0.473 4.793 4.320 -0.001 0.000 0.253 73 K C -0.180 176.357 176.600 -0.106 0.000 1.008 73 K CA -0.088 56.209 56.287 0.016 0.000 0.910 73 K CB 0.377 32.941 32.500 0.108 0.000 0.994 73 K HN 0.258 nan 8.250 nan 0.000 0.495 74 Y N -0.315 120.055 120.300 0.116 0.000 2.420 74 Y HA 0.394 4.944 4.550 -0.001 0.000 0.334 74 Y C -0.136 175.862 175.900 0.164 0.000 1.094 74 Y CA -0.993 57.196 58.100 0.148 0.000 1.126 74 Y CB 1.677 40.273 38.460 0.227 0.000 1.217 74 Y HN 0.066 nan 8.280 nan 0.000 0.462 75 V N 4.868 124.951 119.914 0.282 0.000 2.588 75 V HA 0.534 4.653 4.120 -0.001 0.000 0.304 75 V C -0.373 175.874 176.094 0.254 0.000 1.042 75 V CA -0.822 61.601 62.300 0.206 0.000 0.877 75 V CB 1.580 33.410 31.823 0.011 0.000 0.996 75 V HN 0.810 nan 8.190 nan 0.000 0.425 76 M N 4.120 123.862 119.600 0.237 0.000 2.619 76 M HA 0.803 5.282 4.480 -0.001 0.000 0.297 76 M C -3.083 173.278 176.300 0.103 0.000 1.229 76 M CA -2.196 53.211 55.300 0.178 0.000 0.860 76 M CB 2.425 35.194 32.600 0.281 0.000 1.741 76 M HN 0.229 nan 8.290 nan 0.000 0.462 77 P HA 0.143 nan 4.420 nan 0.000 0.266 77 P C -0.664 176.599 177.300 -0.062 0.000 1.195 77 P CA 0.093 63.206 63.100 0.021 0.000 0.768 77 P CB 0.403 32.100 31.700 -0.006 0.000 0.838 78 A N 3.268 126.067 122.820 -0.035 0.000 2.406 78 A HA 0.291 4.610 4.320 -0.001 0.000 0.243 78 A C -0.126 177.351 177.584 -0.178 0.000 1.082 78 A CA -0.132 51.838 52.037 -0.111 0.000 0.786 78 A CB -0.504 18.473 19.000 -0.038 0.000 1.029 78 A HN 0.391 nan 8.150 nan 0.000 0.495 79 F N -0.284 119.578 119.950 -0.146 0.000 2.506 79 F HA 0.333 4.859 4.527 -0.001 0.000 0.351 79 F C 0.139 175.935 175.800 -0.006 0.000 1.136 79 F CA 0.890 58.757 58.000 -0.222 0.000 1.298 79 F CB 0.447 39.093 39.000 -0.589 0.000 1.145 79 F HN 0.429 nan 8.300 nan 0.000 0.593 80 F N 3.066 123.124 119.950 0.180 0.000 2.500 80 F HA 0.208 4.734 4.527 -0.001 0.000 0.349 80 F C -0.453 175.497 175.800 0.250 0.000 1.127 80 F CA -1.021 57.073 58.000 0.158 0.000 0.998 80 F CB 0.511 39.559 39.000 0.080 0.000 1.237 80 F HN 0.347 nan 8.300 nan 0.000 0.439 81 D N 3.776 124.487 120.400 0.519 0.000 2.339 81 D HA 0.040 4.679 4.640 -0.001 0.000 0.241 81 D C 0.831 177.369 176.300 0.397 0.000 1.183 81 D CA 0.114 54.368 54.000 0.423 0.000 0.859 81 D CB 1.524 42.472 40.800 0.247 0.000 1.067 81 D HN 0.588 nan 8.370 nan 0.000 0.484 82 S N 2.819 118.670 115.700 0.252 0.000 2.650 82 S HA -0.037 4.432 4.470 -0.001 0.000 0.219 82 S C 0.487 175.141 174.600 0.090 0.000 0.960 82 S CA 0.002 58.282 58.200 0.133 0.000 0.925 82 S CB -0.233 62.902 63.200 -0.108 0.000 0.775 82 S HN 0.665 nan 8.310 nan 0.000 0.525 83 H N -0.430 118.623 119.070 -0.029 0.000 3.298 83 H HA 0.480 5.036 4.556 -0.001 0.000 0.328 83 H C -1.239 174.030 175.328 -0.098 0.000 1.278 83 H CA -0.936 55.046 56.048 -0.110 0.000 1.609 83 H CB 0.256 29.900 29.762 -0.195 0.000 2.082 83 H HN 0.296 nan 8.280 nan 0.000 0.465 84 L N 0.629 121.819 121.223 -0.055 0.000 2.510 84 L HA 0.566 4.905 4.340 -0.001 0.000 0.252 84 L C -1.264 175.454 176.870 -0.254 0.000 1.091 84 L CA -0.951 53.848 54.840 -0.069 0.000 0.888 84 L CB 1.582 43.648 42.059 0.011 0.000 1.507 84 L HN 0.519 nan 8.230 nan 0.000 0.407 85 H N 1.499 120.588 119.070 0.031 0.000 2.725 85 H HA 0.374 4.929 4.556 -0.001 0.000 0.283 85 H C 0.290 175.434 175.328 -0.307 0.000 1.110 85 H CA -0.540 55.516 56.048 0.012 0.000 1.289 85 H CB 1.978 31.788 29.762 0.081 0.000 1.400 85 H HN 0.520 nan 8.280 nan 0.000 0.493 86 L N 2.876 123.594 121.223 -0.840 0.000 2.046 86 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 86 L C 2.073 178.679 176.870 -0.439 0.000 1.077 86 L CA 1.848 56.215 54.840 -0.788 0.000 0.747 86 L CB -0.330 40.965 42.059 -1.273 0.000 0.896 86 L HN 0.658 nan 8.230 nan 0.000 0.432 87 D N -1.264 118.945 120.400 -0.319 0.000 2.117 87 D HA -0.223 4.417 4.640 -0.001 0.000 0.198 87 D C 1.766 177.973 176.300 -0.155 0.000 0.982 87 D CA 1.392 55.401 54.000 0.014 0.000 0.828 87 D CB -0.560 40.479 40.800 0.398 0.000 0.967 87 D HN 0.449 nan 8.370 nan 0.000 0.464 88 E N -0.319 119.806 120.200 -0.124 0.000 2.150 88 E HA -0.079 4.271 4.350 -0.001 0.000 0.193 88 E C 2.082 178.511 176.600 -0.285 0.000 0.985 88 E CA 0.269 56.523 56.400 -0.243 0.000 0.814 88 E CB -0.103 29.473 29.700 -0.206 0.000 0.752 88 E HN 0.169 nan 8.360 nan 0.000 0.466 89 L N 0.717 121.811 121.223 -0.216 0.000 2.027 89 L HA -0.032 4.308 4.340 -0.001 0.000 0.206 89 L C 2.173 178.895 176.870 -0.248 0.000 1.074 89 L CA 2.224 56.931 54.840 -0.223 0.000 0.745 89 L CB -0.974 40.983 42.059 -0.171 0.000 0.898 89 L HN 0.075 nan 8.230 nan 0.000 0.433 90 G N -0.632 108.040 108.800 -0.213 0.000 2.446 90 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.217 90 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.217 90 G C 1.660 176.410 174.900 -0.250 0.000 1.168 90 G CA 1.146 46.163 45.100 -0.138 0.000 0.771 90 G HN 0.435 nan 8.290 nan 0.000 0.551 91 M N 0.451 119.650 119.600 -0.667 0.000 2.086 91 M HA -0.073 4.407 4.480 -0.001 0.000 0.261 91 M C 2.817 178.911 176.300 -0.343 0.000 1.067 91 M CA 1.699 56.477 55.300 -0.869 0.000 1.116 91 M CB -0.114 31.891 32.600 -0.991 0.000 1.348 91 M HN 0.341 nan 8.290 nan 0.000 0.407 92 S N 0.313 115.820 115.700 -0.322 0.000 2.382 92 S HA -0.125 4.344 4.470 -0.001 0.000 0.228 92 S C 1.681 176.195 174.600 -0.142 0.000 1.027 92 S CA 1.184 59.219 58.200 -0.275 0.000 0.991 92 S CB -0.374 62.603 63.200 -0.371 0.000 0.823 92 S HN 0.501 nan 8.310 nan 0.000 0.469 93 L N 0.769 121.904 121.223 -0.147 0.000 2.275 93 L HA 0.054 4.393 4.340 -0.001 0.000 0.215 93 L C 2.311 179.208 176.870 0.045 0.000 1.119 93 L CA 0.853 55.641 54.840 -0.087 0.000 0.790 93 L CB -0.218 41.737 42.059 -0.172 0.000 0.919 93 L HN 0.248 nan 8.230 nan 0.000 0.443 94 E N -0.817 119.445 120.200 0.103 0.000 2.452 94 E HA 0.144 4.494 4.350 -0.001 0.000 0.197 94 E C 0.786 177.535 176.600 0.248 0.000 1.022 94 E CA 0.069 56.603 56.400 0.223 0.000 0.890 94 E CB 0.307 30.242 29.700 0.391 0.000 0.918 94 E HN 0.406 nan 8.360 nan 0.000 0.496 95 M N 1.077 120.823 119.600 0.243 0.000 2.245 95 M HA 0.038 4.517 4.480 -0.001 0.000 0.330 95 M C 0.094 176.602 176.300 0.347 0.000 1.098 95 M CA -0.135 55.380 55.300 0.358 0.000 1.172 95 M CB 1.010 33.881 32.600 0.452 0.000 1.467 95 M HN -0.283 nan 8.290 nan 0.000 0.454 96 V N 2.132 122.228 119.914 0.302 0.000 2.470 96 V HA 0.016 4.135 4.120 -0.001 0.000 0.276 96 V C 0.001 176.122 176.094 0.045 0.000 1.040 96 V CA -0.305 62.096 62.300 0.168 0.000 1.008 96 V CB 0.744 32.637 31.823 0.117 0.000 0.990 96 V HN 0.647 nan 8.190 nan 0.000 0.477 97 D N 4.672 125.029 120.400 -0.071 0.000 2.339 97 D HA 0.247 4.887 4.640 -0.001 0.000 0.241 97 D C 0.490 176.590 176.300 -0.333 0.000 1.183 97 D CA -0.015 53.722 54.000 -0.439 0.000 0.859 97 D CB 1.153 41.851 40.800 -0.170 0.000 1.067 97 D HN 0.470 nan 8.370 nan 0.000 0.484 98 L N 3.242 124.204 121.223 -0.434 0.000 2.667 98 L HA 0.264 4.604 4.340 -0.001 0.000 0.232 98 L C 1.116 177.886 176.870 -0.167 0.000 1.138 98 L CA -0.313 54.413 54.840 -0.191 0.000 0.921 98 L CB 0.056 42.087 42.059 -0.046 0.000 1.180 98 L HN 0.066 nan 8.230 nan 0.000 0.487 99 R N 0.764 121.111 120.500 -0.256 0.000 2.522 99 R HA 0.247 4.587 4.340 -0.001 0.000 0.284 99 R C 1.252 177.505 176.300 -0.079 0.000 1.032 99 R CA 0.834 56.846 56.100 -0.147 0.000 1.049 99 R CB 0.281 30.508 30.300 -0.122 0.000 0.956 99 R HN 0.297 nan 8.270 nan 0.000 0.422 100 G N 1.351 110.122 108.800 -0.048 0.000 2.179 100 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.260 100 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.260 100 G C 0.257 175.141 174.900 -0.026 0.000 0.977 100 G CA 0.070 45.152 45.100 -0.030 0.000 0.641 100 G HN 0.868 nan 8.290 nan 0.000 0.533 101 A N -0.048 122.755 122.820 -0.027 0.000 2.492 101 A HA 0.595 4.914 4.320 -0.001 0.000 0.254 101 A C 1.290 178.864 177.584 -0.016 0.000 1.091 101 A CA 0.781 52.804 52.037 -0.023 0.000 0.768 101 A CB 0.361 19.347 19.000 -0.023 0.000 1.028 101 A HN 0.170 nan 8.150 nan 0.000 0.498 102 K N 0.905 121.293 120.400 -0.019 0.000 2.358 102 K HA 0.130 4.449 4.320 -0.001 0.000 0.197 102 K C 0.174 176.762 176.600 -0.019 0.000 1.025 102 K CA 0.913 57.190 56.287 -0.016 0.000 1.104 102 K CB 0.136 32.628 32.500 -0.014 0.000 0.855 102 K HN 0.884 nan 8.250 nan 0.000 0.531 103 S N -1.059 114.625 115.700 -0.027 0.000 2.596 103 S HA 0.361 4.830 4.470 -0.001 0.000 0.270 103 S C 0.814 175.384 174.600 -0.049 0.000 1.155 103 S CA -0.831 57.349 58.200 -0.032 0.000 0.827 103 S CB 0.839 64.024 63.200 -0.026 0.000 1.130 103 S HN -0.209 nan 8.310 nan 0.000 0.467 104 I N 1.504 122.039 120.570 -0.059 0.000 2.208 104 I HA -0.138 4.031 4.170 -0.001 0.000 0.245 104 I C 2.810 178.889 176.117 -0.064 0.000 1.097 104 I CA 1.839 63.091 61.300 -0.079 0.000 1.363 104 I CB -1.335 36.619 38.000 -0.076 0.000 1.051 104 I HN 0.983 nan 8.210 nan 0.000 0.413 105 E N 1.362 121.535 120.200 -0.045 0.000 2.070 105 E HA -0.294 4.055 4.350 -0.001 0.000 0.197 105 E C 2.080 178.659 176.600 -0.034 0.000 1.004 105 E CA 1.935 58.314 56.400 -0.036 0.000 0.805 105 E CB -0.099 29.585 29.700 -0.027 0.000 0.744 105 E HN 0.600 nan 8.360 nan 0.000 0.451 106 E N 0.266 120.446 120.200 -0.033 0.000 2.077 106 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 106 E C 2.558 179.137 176.600 -0.036 0.000 0.989 106 E CA 0.956 57.338 56.400 -0.030 0.000 0.800 106 E CB -0.186 29.499 29.700 -0.026 0.000 0.746 106 E HN 0.306 nan 8.360 nan 0.000 0.452 107 L N 0.731 121.924 121.223 -0.050 0.000 2.012 107 L HA -0.204 4.136 4.340 -0.001 0.000 0.210 107 L C 2.192 179.028 176.870 -0.057 0.000 1.073 107 L CA 1.189 55.991 54.840 -0.063 0.000 0.748 107 L CB -0.191 41.805 42.059 -0.105 0.000 0.891 107 L HN 0.228 nan 8.230 nan 0.000 0.431 108 I N -0.283 120.252 120.570 -0.058 0.000 2.315 108 I HA -0.292 3.877 4.170 -0.001 0.000 0.248 108 I C 2.515 178.614 176.117 -0.030 0.000 1.117 108 I CA 1.402 62.674 61.300 -0.047 0.000 1.404 108 I CB -1.318 36.653 38.000 -0.047 0.000 1.071 108 I HN 0.548 nan 8.210 nan 0.000 0.419 109 Q N 0.949 120.733 119.800 -0.026 0.000 2.096 109 Q HA -0.205 4.135 4.340 -0.001 0.000 0.204 109 Q C 2.434 178.429 176.000 -0.009 0.000 0.982 109 Q CA 1.636 57.430 55.803 -0.015 0.000 0.850 109 Q CB 0.090 28.819 28.738 -0.014 0.000 0.901 109 Q HN 0.423 nan 8.270 nan 0.000 0.422 110 R N -0.184 120.309 120.500 -0.012 0.000 2.081 110 R HA -0.102 4.238 4.340 -0.001 0.000 0.235 110 R C 2.405 178.710 176.300 0.008 0.000 1.131 110 R CA 1.254 57.352 56.100 -0.003 0.000 0.960 110 R CB -0.287 30.005 30.300 -0.013 0.000 0.856 110 R HN 0.299 nan 8.270 nan 0.000 0.436 111 L N 0.787 122.010 121.223 -0.000 0.000 2.141 111 L HA -0.153 4.186 4.340 -0.001 0.000 0.209 111 L C 2.228 179.103 176.870 0.009 0.000 1.094 111 L CA 1.289 56.134 54.840 0.009 0.000 0.763 111 L CB -0.279 41.775 42.059 -0.007 0.000 0.908 111 L HN 0.128 nan 8.230 nan 0.000 0.437 112 K N 0.005 120.405 120.400 0.001 0.000 2.283 112 K HA -0.104 4.215 4.320 -0.001 0.000 0.202 112 K C 2.059 178.665 176.600 0.011 0.000 1.048 112 K CA 0.887 57.176 56.287 0.002 0.000 0.948 112 K CB 0.006 32.504 32.500 -0.004 0.000 0.742 112 K HN 0.305 nan 8.250 nan 0.000 0.458 113 R N 0.376 120.887 120.500 0.017 0.000 2.275 113 R HA 0.028 4.368 4.340 -0.001 0.000 0.199 113 R C 1.017 177.341 176.300 0.040 0.000 0.989 113 R CA 0.082 56.197 56.100 0.026 0.000 1.016 113 R CB 0.141 30.457 30.300 0.026 0.000 0.918 113 R HN 0.050 nan 8.270 nan 0.000 0.473 114 G N 1.371 110.199 108.800 0.046 0.000 2.441 114 G HA2 0.098 4.058 3.960 -0.001 0.000 0.243 114 G HA3 0.098 4.058 3.960 -0.001 0.000 0.243 114 G C -0.611 174.324 174.900 0.059 0.000 1.281 114 G CA -0.249 44.891 45.100 0.067 0.000 0.854 114 G HN 0.038 nan 8.290 nan 0.000 0.560 115 K N 0.244 120.689 120.400 0.076 0.000 2.118 115 K HA 0.759 5.078 4.320 -0.001 0.000 0.254 115 K C 0.514 177.146 176.600 0.054 0.000 0.961 115 K CA 0.769 57.090 56.287 0.057 0.000 0.876 115 K CB 1.830 34.367 32.500 0.062 0.000 1.077 115 K HN 1.195 nan 8.250 nan 0.000 0.440 116 G N 0.428 109.236 108.800 0.013 0.000 2.479 116 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.686 116 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.686 116 G C 0.059 174.947 174.900 -0.020 0.000 1.295 116 G CA -0.172 44.920 45.100 -0.014 0.000 0.922 116 G HN 0.580 nan 8.290 nan 0.000 0.582 117 R N -0.546 119.933 120.500 -0.035 0.000 2.073 117 R HA 0.114 4.454 4.340 -0.001 0.000 0.234 117 R C 0.904 177.172 176.300 -0.052 0.000 1.134 117 R CA 1.628 57.705 56.100 -0.038 0.000 0.952 117 R CB -0.222 30.056 30.300 -0.037 0.000 0.850 117 R HN 0.537 nan 8.270 nan 0.000 0.433 118 I N 1.634 122.164 120.570 -0.066 0.000 2.433 118 I HA 0.252 4.422 4.170 -0.001 0.000 0.292 118 I C -0.606 175.374 176.117 -0.228 0.000 1.001 118 I CA -0.956 60.217 61.300 -0.212 0.000 1.119 118 I CB 2.255 40.028 38.000 -0.378 0.000 1.289 118 I HN 0.022 nan 8.210 nan 0.000 0.438 119 I N 6.281 126.714 120.570 -0.227 0.000 2.291 119 I HA 0.260 4.429 4.170 -0.001 0.000 0.292 119 I C -0.448 175.594 176.117 -0.125 0.000 1.064 119 I CA -0.162 61.086 61.300 -0.087 0.000 1.269 119 I CB -0.379 37.609 38.000 -0.021 0.000 1.418 119 I HN 0.291 nan 8.210 nan 0.000 0.485 120 F N 3.981 124.048 119.950 0.196 0.000 2.421 120 F HA 0.700 5.226 4.527 -0.001 0.000 0.337 120 F C 0.969 176.941 175.800 0.287 0.000 1.105 120 F CA -0.316 57.847 58.000 0.271 0.000 1.049 120 F CB 1.960 41.128 39.000 0.279 0.000 1.139 120 F HN 0.476 nan 8.300 nan 0.000 0.479 121 G N 2.031 111.140 108.800 0.514 0.000 2.680 121 G HA2 0.734 4.693 3.960 -0.001 0.000 0.290 121 G HA3 0.734 4.693 3.960 -0.001 0.000 0.290 121 G C -1.987 173.238 174.900 0.542 0.000 1.355 121 G CA -0.769 44.582 45.100 0.418 0.000 0.903 121 G HN 0.587 nan 8.290 nan 0.000 0.474 122 F N -2.181 117.901 119.950 0.221 0.000 2.668 122 F HA 0.688 5.214 4.527 -0.001 0.000 0.309 122 F C 0.694 176.455 175.800 -0.065 0.000 1.117 122 F CA -0.345 57.687 58.000 0.054 0.000 0.951 122 F CB 1.734 40.773 39.000 0.066 0.000 1.323 122 F HN 1.623 nan 8.300 nan 0.000 0.451 123 G N 0.047 108.653 108.800 -0.323 0.000 2.175 123 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.244 123 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.244 123 G C -0.046 174.681 174.900 -0.288 0.000 0.982 123 G CA -0.130 44.756 45.100 -0.357 0.000 0.641 123 G HN 1.322 nan 8.290 nan 0.000 0.527 124 W N 0.789 121.951 121.300 -0.231 0.000 2.126 124 W HA 0.685 5.345 4.660 -0.001 0.000 0.346 124 W C -0.498 175.892 176.519 -0.215 0.000 1.279 124 W CA 0.271 57.494 57.345 -0.205 0.000 1.259 124 W CB 0.668 30.015 29.460 -0.188 0.000 1.133 124 W HN 0.131 nan 8.180 nan 0.000 0.592 125 D N 1.377 121.869 120.400 0.153 0.000 2.970 125 D HA 0.110 4.750 4.640 -0.001 0.000 0.230 125 D C 0.686 177.028 176.300 0.069 0.000 1.276 125 D CA -0.458 53.527 54.000 -0.025 0.000 0.910 125 D CB 1.799 42.544 40.800 -0.091 0.000 1.590 125 D HN 0.348 nan 8.370 nan 0.000 0.551 126 Q N 1.548 121.323 119.800 -0.042 0.000 2.226 126 Q HA -0.053 4.286 4.340 -0.001 0.000 0.204 126 Q C 0.822 176.788 176.000 -0.058 0.000 0.975 126 Q CA 1.289 57.006 55.803 -0.144 0.000 0.866 126 Q CB 0.130 28.564 28.738 -0.506 0.000 0.915 126 Q HN 0.425 nan 8.270 nan 0.000 0.440 127 D N 0.902 121.273 120.400 -0.048 0.000 2.178 127 D HA -0.124 4.516 4.640 -0.001 0.000 0.202 127 D C 1.466 177.761 176.300 -0.008 0.000 0.974 127 D CA 1.042 55.034 54.000 -0.013 0.000 0.841 127 D CB 0.038 40.831 40.800 -0.011 0.000 0.953 127 D HN 0.476 nan 8.370 nan 0.000 0.478 128 E N -0.161 120.032 120.200 -0.011 0.000 2.122 128 E HA 0.038 4.387 4.350 -0.001 0.000 0.190 128 E C 2.236 178.832 176.600 -0.006 0.000 0.977 128 E CA 0.176 56.572 56.400 -0.007 0.000 0.820 128 E CB 0.134 29.829 29.700 -0.008 0.000 0.770 128 E HN 0.230 nan 8.360 nan 0.000 0.462 129 L N -0.506 120.713 121.223 -0.006 0.000 2.156 129 L HA 0.027 4.366 4.340 -0.001 0.000 0.208 129 L C 1.821 178.684 176.870 -0.012 0.000 1.095 129 L CA 0.990 55.819 54.840 -0.018 0.000 0.770 129 L CB -0.132 41.903 42.059 -0.040 0.000 0.914 129 L HN 0.399 nan 8.230 nan 0.000 0.439 130 G N -0.024 108.776 108.800 0.000 0.000 2.213 130 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.226 130 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.226 130 G C 0.125 175.050 174.900 0.042 0.000 0.992 130 G CA 0.216 45.326 45.100 0.017 0.000 0.632 130 G HN 0.516 nan 8.290 nan 0.000 0.511 131 E N -1.732 118.493 120.200 0.041 0.000 2.403 131 E HA 0.434 4.783 4.350 -0.001 0.000 0.280 131 E C -1.263 175.388 176.600 0.086 0.000 1.101 131 E CA -1.366 55.099 56.400 0.107 0.000 0.856 131 E CB 0.284 30.027 29.700 0.072 0.000 1.303 131 E HN 0.142 nan 8.360 nan 0.000 0.441 132 W N 1.891 123.162 121.300 -0.047 0.000 2.218 132 W HA 0.338 4.997 4.660 -0.001 0.000 0.326 132 W C -2.013 174.349 176.519 -0.263 0.000 1.276 132 W CA -1.218 56.051 57.345 -0.127 0.000 1.210 132 W CB 0.242 29.671 29.460 -0.052 0.000 1.143 132 W HN 0.357 nan 8.180 nan 0.000 0.563 133 P HA 0.253 nan 4.420 nan 0.000 0.276 133 P C -0.380 176.809 177.300 -0.186 0.000 1.244 133 P CA -0.218 62.675 63.100 -0.345 0.000 0.801 133 P CB 1.182 32.478 31.700 -0.673 0.000 1.006 134 T N -2.693 111.781 114.554 -0.135 0.000 2.906 134 T HA 0.375 4.724 4.350 -0.001 0.000 0.295 134 T C 1.128 175.785 174.700 -0.071 0.000 1.075 134 T CA -0.959 61.098 62.100 -0.072 0.000 1.005 134 T CB 1.884 70.723 68.868 -0.047 0.000 1.136 134 T HN 0.398 nan 8.240 nan 0.000 0.498 135 R N 1.037 121.515 120.500 -0.037 0.000 2.113 135 R HA -0.192 4.148 4.340 -0.001 0.000 0.244 135 R C 1.928 178.212 176.300 -0.027 0.000 1.142 135 R CA 2.088 58.176 56.100 -0.019 0.000 0.953 135 R CB -0.386 29.919 30.300 0.009 0.000 0.860 135 R HN 0.761 nan 8.270 nan 0.000 0.438 136 K N 0.121 120.502 120.400 -0.030 0.000 2.032 136 K HA -0.177 4.142 4.320 -0.001 0.000 0.209 136 K C 2.123 178.701 176.600 -0.037 0.000 1.048 136 K CA 2.153 58.422 56.287 -0.030 0.000 0.927 136 K CB -0.088 32.394 32.500 -0.030 0.000 0.712 136 K HN 0.377 nan 8.250 nan 0.000 0.441 137 E N 0.643 120.813 120.200 -0.049 0.000 2.106 137 E HA -0.136 4.213 4.350 -0.001 0.000 0.192 137 E C 1.806 178.370 176.600 -0.060 0.000 0.984 137 E CA 0.855 57.221 56.400 -0.058 0.000 0.806 137 E CB 0.012 29.666 29.700 -0.076 0.000 0.750 137 E HN 0.227 nan 8.360 nan 0.000 0.458 138 L N 1.121 122.304 121.223 -0.066 0.000 2.478 138 L HA -0.041 4.298 4.340 -0.001 0.000 0.223 138 L C 1.581 178.427 176.870 -0.040 0.000 1.140 138 L CA 0.067 54.870 54.840 -0.062 0.000 0.842 138 L CB -0.227 41.788 42.059 -0.073 0.000 0.953 138 L HN 0.100 nan 8.230 nan 0.000 0.452 139 N N 0.861 119.542 118.700 -0.032 0.000 2.443 139 N HA -0.119 4.621 4.740 -0.001 0.000 0.184 139 N C 1.850 177.347 175.510 -0.022 0.000 1.037 139 N CA 1.151 54.188 53.050 -0.022 0.000 0.896 139 N CB -0.019 38.458 38.487 -0.017 0.000 0.959 139 N HN 0.300 nan 8.380 nan 0.000 0.442 140 A N 0.293 123.096 122.820 -0.027 0.000 2.121 140 A HA 0.004 4.323 4.320 -0.001 0.000 0.218 140 A C 0.896 178.467 177.584 -0.022 0.000 1.154 140 A CA 0.441 52.464 52.037 -0.024 0.000 0.679 140 A CB -0.261 18.722 19.000 -0.028 0.000 0.795 140 A HN 0.169 nan 8.150 nan 0.000 0.458 141 I N 0.016 120.571 120.570 -0.025 0.000 2.342 141 I HA 0.149 4.318 4.170 -0.001 0.000 0.291 141 I C 0.218 176.322 176.117 -0.020 0.000 1.010 141 I CA -0.218 61.069 61.300 -0.022 0.000 1.308 141 I CB 1.413 39.398 38.000 -0.025 0.000 1.400 141 I HN -0.008 nan 8.210 nan 0.000 0.488 142 D N 6.130 126.519 120.400 -0.017 0.000 2.504 142 D HA 0.121 4.760 4.640 -0.001 0.000 0.243 142 D C -0.250 176.038 176.300 -0.019 0.000 1.203 142 D CA 0.448 54.438 54.000 -0.016 0.000 0.847 142 D CB 0.023 40.815 40.800 -0.013 0.000 0.973 142 D HN 0.386 nan 8.370 nan 0.000 0.490 143 K N -0.155 120.230 120.400 -0.025 0.000 2.512 143 K HA 0.428 4.748 4.320 -0.001 0.000 0.263 143 K C -2.780 173.793 176.600 -0.044 0.000 0.966 143 K CA -2.209 54.057 56.287 -0.034 0.000 0.851 143 K CB 2.132 34.609 32.500 -0.038 0.000 1.395 143 K HN -0.196 nan 8.250 nan 0.000 0.440 144 P HA 0.055 nan 4.420 nan 0.000 0.267 144 P C -1.094 176.142 177.300 -0.107 0.000 1.205 144 P CA -0.225 62.832 63.100 -0.071 0.000 0.765 144 P CB 0.547 32.193 31.700 -0.089 0.000 0.828 145 V N 5.114 124.990 119.914 -0.063 0.000 2.588 145 V HA 0.509 4.628 4.120 -0.001 0.000 0.304 145 V C -0.778 175.333 176.094 0.028 0.000 1.042 145 V CA -0.414 61.855 62.300 -0.052 0.000 0.877 145 V CB 1.483 33.284 31.823 -0.037 0.000 0.996 145 V HN 0.389 nan 8.190 nan 0.000 0.425 146 F N 7.096 126.957 119.950 -0.149 0.000 2.579 146 F HA 0.742 5.268 4.527 -0.001 0.000 0.325 146 F C -0.488 175.340 175.800 0.047 0.000 1.162 146 F CA -0.750 57.214 58.000 -0.060 0.000 0.946 146 F CB 1.332 40.303 39.000 -0.049 0.000 1.211 146 F HN 0.501 nan 8.300 nan 0.000 0.447 147 I N 3.473 123.874 120.570 -0.282 0.000 2.410 147 I HA 0.465 4.635 4.170 -0.001 0.000 0.286 147 I C -1.685 174.467 176.117 0.058 0.000 1.009 147 I CA -0.873 60.445 61.300 0.030 0.000 1.111 147 I CB 1.215 39.293 38.000 0.129 0.000 1.262 147 I HN 0.406 nan 8.210 nan 0.000 0.443 148 Y N 4.759 125.136 120.300 0.128 0.000 2.359 148 Y HA 0.322 4.871 4.550 -0.001 0.000 0.330 148 Y C 1.062 176.634 175.900 -0.546 0.000 1.143 148 Y CA 0.020 58.055 58.100 -0.108 0.000 1.318 148 Y CB 0.628 38.997 38.460 -0.152 0.000 1.234 148 Y HN 0.620 nan 8.280 nan 0.000 0.522 149 R N 3.261 123.291 120.500 -0.783 0.000 2.694 149 R HA 0.047 4.386 4.340 -0.001 0.000 0.268 149 R C 0.182 175.891 176.300 -0.985 0.000 1.061 149 R CA -0.625 54.463 56.100 -1.686 0.000 1.133 149 R CB 0.431 29.831 30.300 -1.500 0.000 1.020 149 R HN 0.695 nan 8.270 nan 0.000 0.475 150 K N 2.672 122.562 120.400 -0.851 0.000 2.548 150 K HA -0.237 4.082 4.320 -0.001 0.000 0.277 150 K C -0.186 176.174 176.600 -0.400 0.000 1.001 150 K CA 1.026 57.013 56.287 -0.501 0.000 1.102 150 K CB -0.038 32.267 32.500 -0.325 0.000 0.848 150 K HN 0.900 nan 8.250 nan 0.000 0.487 151 C N 2.436 121.575 119.300 -0.268 0.000 5.319 151 C HA -0.191 4.269 4.460 -0.001 0.000 0.239 151 C C 0.457 175.284 174.990 -0.272 0.000 1.472 151 C CA 0.247 59.193 59.018 -0.120 0.000 1.403 151 C CB -2.888 24.828 27.740 -0.040 0.000 2.126 151 C HN 1.144 nan 8.230 nan 0.000 0.613 152 F N -1.654 118.087 119.950 -0.348 0.000 3.057 152 F HA -0.228 4.298 4.527 -0.001 0.000 0.287 152 F C 1.146 176.804 175.800 -0.236 0.000 0.834 152 F CA 1.433 59.263 58.000 -0.283 0.000 1.147 152 F CB -1.823 36.907 39.000 -0.449 0.000 1.245 152 F HN 0.617 nan 8.300 nan 0.000 0.509 153 H N -1.604 117.546 119.070 0.134 0.000 2.705 153 H HA 0.581 5.136 4.556 -0.001 0.000 0.269 153 H C 0.543 175.951 175.328 0.133 0.000 0.998 153 H CA 0.662 56.782 56.048 0.120 0.000 1.193 153 H CB 0.633 30.426 29.762 0.051 0.000 1.485 153 H HN 0.130 nan 8.280 nan 0.000 0.521 154 V N 0.417 120.444 119.914 0.188 0.000 2.971 154 V HA 0.733 4.853 4.120 -0.001 0.000 0.309 154 V C -0.502 175.670 176.094 0.129 0.000 1.130 154 V CA -0.980 61.434 62.300 0.190 0.000 0.964 154 V CB 2.186 34.152 31.823 0.238 0.000 1.029 154 V HN 0.342 nan 8.190 nan 0.000 0.427 155 A N 2.815 125.698 122.820 0.104 0.000 2.515 155 A HA 0.986 5.306 4.320 -0.001 0.000 0.296 155 A C -1.435 176.134 177.584 -0.024 0.000 1.094 155 A CA -0.649 51.316 52.037 -0.121 0.000 0.718 155 A CB 2.201 20.709 19.000 -0.819 0.000 1.307 155 A HN 0.803 nan 8.150 nan 0.000 0.408 156 V N 0.012 119.867 119.914 -0.098 0.000 2.680 156 V HA 0.849 4.968 4.120 -0.001 0.000 0.309 156 V C 0.214 176.184 176.094 -0.205 0.000 1.052 156 V CA -0.164 62.089 62.300 -0.079 0.000 0.908 156 V CB 1.521 33.301 31.823 -0.072 0.000 1.001 156 V HN 1.572 nan 8.190 nan 0.000 0.431 157 A N 3.020 125.798 122.820 -0.069 0.000 2.435 157 A HA 0.839 5.158 4.320 -0.001 0.000 0.304 157 A C -0.387 177.215 177.584 0.030 0.000 1.064 157 A CA -0.756 51.282 52.037 0.002 0.000 0.727 157 A CB 1.462 20.544 19.000 0.137 0.000 1.284 157 A HN 0.960 nan 8.150 nan 0.000 0.415 158 N N 0.692 119.404 118.700 0.019 0.000 2.364 158 N HA 0.100 4.839 4.740 -0.001 0.000 0.264 158 N C 0.031 175.565 175.510 0.040 0.000 1.263 158 N CA -0.068 52.992 53.050 0.016 0.000 0.959 158 N CB 0.198 38.680 38.487 -0.008 0.000 1.204 158 N HN 0.466 nan 8.380 nan 0.000 0.550 159 D N -0.079 120.339 120.400 0.029 0.000 2.106 159 D HA -0.155 4.485 4.640 -0.001 0.000 0.191 159 D C 1.383 177.704 176.300 0.035 0.000 0.997 159 D CA 1.682 55.704 54.000 0.037 0.000 0.834 159 D CB -0.086 40.727 40.800 0.021 0.000 0.956 159 D HN 0.596 nan 8.370 nan 0.000 0.448 160 K N -0.311 120.099 120.400 0.017 0.000 2.097 160 K HA -0.129 4.191 4.320 -0.001 0.000 0.206 160 K C 2.055 178.661 176.600 0.010 0.000 1.049 160 K CA 0.872 57.164 56.287 0.008 0.000 0.933 160 K CB -0.132 32.364 32.500 -0.007 0.000 0.717 160 K HN 0.055 nan 8.250 nan 0.000 0.442 161 M N 0.905 120.516 119.600 0.018 0.000 2.200 161 M HA -0.045 4.434 4.480 -0.001 0.000 0.265 161 M C 1.656 177.984 176.300 0.047 0.000 1.066 161 M CA 1.399 56.715 55.300 0.027 0.000 1.127 161 M CB 0.001 32.640 32.600 0.066 0.000 1.379 161 M HN 0.042 nan 8.290 nan 0.000 0.420 162 L N -0.486 120.779 121.223 0.070 0.000 2.141 162 L HA -0.169 4.170 4.340 -0.001 0.000 0.209 162 L C 2.337 179.242 176.870 0.059 0.000 1.094 162 L CA 1.197 56.085 54.840 0.081 0.000 0.763 162 L CB -0.762 41.392 42.059 0.158 0.000 0.908 162 L HN 0.320 nan 8.230 nan 0.000 0.437 163 E N 0.968 121.197 120.200 0.049 0.000 2.051 163 E HA -0.209 4.141 4.350 -0.001 0.000 0.192 163 E C 2.183 178.796 176.600 0.021 0.000 0.991 163 E CA 1.452 57.874 56.400 0.036 0.000 0.799 163 E CB -0.281 29.435 29.700 0.027 0.000 0.748 163 E HN 0.358 nan 8.360 nan 0.000 0.449 164 L N -0.121 121.109 121.223 0.012 0.000 2.083 164 L HA -0.157 4.182 4.340 -0.001 0.000 0.209 164 L C 2.478 179.345 176.870 -0.004 0.000 1.083 164 L CA 0.904 55.746 54.840 0.003 0.000 0.752 164 L CB -0.309 41.747 42.059 -0.005 0.000 0.899 164 L HN 0.230 nan 8.230 nan 0.000 0.433 165 L N -1.024 120.191 121.223 -0.014 0.000 2.131 165 L HA -0.084 4.256 4.340 -0.001 0.000 0.206 165 L C 0.830 177.675 176.870 -0.041 0.000 1.087 165 L CA 0.239 55.054 54.840 -0.042 0.000 0.767 165 L CB -0.384 41.633 42.059 -0.071 0.000 0.917 165 L HN 0.373 nan 8.230 nan 0.000 0.441 166 N N 0.858 119.546 118.700 -0.019 0.000 2.686 166 N HA -0.208 4.532 4.740 -0.001 0.000 0.261 166 N C -0.477 175.022 175.510 -0.019 0.000 1.001 166 N CA 0.256 53.309 53.050 0.004 0.000 0.764 166 N CB -1.088 37.409 38.487 0.016 0.000 0.898 166 N HN 0.189 nan 8.380 nan 0.000 0.544 167 L N 0.219 121.385 121.223 -0.096 0.000 2.439 167 L HA 0.173 4.513 4.340 -0.001 0.000 0.269 167 L C 1.080 177.961 176.870 0.018 0.000 1.179 167 L CA -0.284 54.461 54.840 -0.158 0.000 0.828 167 L CB 0.465 42.179 42.059 -0.575 0.000 1.106 167 L HN 0.187 nan 8.230 nan 0.000 0.467 168 T N 2.993 117.569 114.554 0.038 0.000 2.853 168 T HA 0.142 4.492 4.350 -0.001 0.000 0.298 168 T C -2.194 172.624 174.700 0.198 0.000 0.978 168 T CA -0.777 61.382 62.100 0.097 0.000 1.152 168 T CB 0.377 69.282 68.868 0.062 0.000 0.914 168 T HN 0.348 nan 8.240 nan 0.000 0.539 169 P HA 0.188 nan 4.420 nan 0.000 0.263 169 P C -0.425 176.960 177.300 0.142 0.000 1.195 169 P CA 0.064 63.280 63.100 0.194 0.000 0.762 169 P CB 0.419 32.176 31.700 0.096 0.000 0.799 170 S N 1.792 117.583 115.700 0.152 0.000 2.636 170 S HA 0.376 4.846 4.470 -0.001 0.000 0.268 170 S C 0.613 175.255 174.600 0.071 0.000 1.159 170 S CA -0.805 57.454 58.200 0.099 0.000 0.815 170 S CB 1.085 64.350 63.200 0.108 0.000 1.130 170 S HN 0.229 nan 8.310 nan 0.000 0.471 171 K N 0.171 120.598 120.400 0.046 0.000 2.283 171 K HA 0.126 4.445 4.320 -0.001 0.000 0.202 171 K C 0.542 177.170 176.600 0.046 0.000 1.048 171 K CA 1.540 57.841 56.287 0.023 0.000 0.948 171 K CB -0.402 32.104 32.500 0.011 0.000 0.742 171 K HN 0.467 nan 8.250 nan 0.000 0.458 172 D N -0.260 120.194 120.400 0.090 0.000 2.349 172 D HA 0.002 4.642 4.640 -0.001 0.000 0.224 172 D C -0.806 175.625 176.300 0.217 0.000 1.029 172 D CA 0.419 54.491 54.000 0.121 0.000 0.879 172 D CB 0.085 40.951 40.800 0.110 0.000 0.906 172 D HN 0.198 nan 8.370 nan 0.000 0.528 173 F N 1.856 121.822 119.950 0.027 0.000 2.500 173 F HA 0.246 4.773 4.527 -0.001 0.000 0.349 173 F C -0.782 175.025 175.800 0.012 0.000 1.127 173 F CA -1.695 56.324 58.000 0.032 0.000 0.998 173 F CB 0.944 39.969 39.000 0.042 0.000 1.237 173 F HN -0.351 nan 8.300 nan 0.000 0.439 174 D N 5.674 126.011 120.400 -0.104 0.000 2.380 174 D HA 0.109 4.748 4.640 -0.001 0.000 0.230 174 D C 0.680 176.705 176.300 -0.458 0.000 1.154 174 D CA 0.128 53.965 54.000 -0.272 0.000 0.859 174 D CB 1.059 41.782 40.800 -0.127 0.000 1.045 174 D HN 0.738 nan 8.370 nan 0.000 0.495 175 E N 2.376 122.168 120.200 -0.680 0.000 2.208 175 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 175 E C 0.815 177.279 176.600 -0.227 0.000 0.988 175 E CA 0.566 56.591 56.400 -0.625 0.000 0.828 175 E CB 0.367 29.720 29.700 -0.579 0.000 0.763 175 E HN 0.477 nan 8.360 nan 0.000 0.478 176 D N 0.736 121.027 120.400 -0.182 0.000 2.103 176 D HA -0.110 4.530 4.640 -0.001 0.000 0.199 176 D C 2.121 178.378 176.300 -0.072 0.000 0.978 176 D CA 1.969 55.906 54.000 -0.105 0.000 0.829 176 D CB 0.106 40.847 40.800 -0.099 0.000 0.981 176 D HN 0.166 nan 8.370 nan 0.000 0.464 177 T N -3.841 110.667 114.554 -0.078 0.000 3.067 177 T HA 0.257 4.606 4.350 -0.001 0.000 0.257 177 T C 1.751 176.449 174.700 -0.004 0.000 1.105 177 T CA 0.691 62.760 62.100 -0.051 0.000 1.104 177 T CB 0.170 68.990 68.868 -0.080 0.000 0.925 177 T HN 0.261 nan 8.240 nan 0.000 0.498 178 G N 1.421 110.239 108.800 0.031 0.000 2.143 178 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.249 178 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.249 178 G C -0.014 174.991 174.900 0.174 0.000 0.981 178 G CA 0.029 45.208 45.100 0.131 0.000 0.665 178 G HN 0.657 nan 8.290 nan 0.000 0.528 179 I N 1.042 121.702 120.570 0.151 0.000 2.352 179 I HA 0.446 4.616 4.170 -0.001 0.000 0.290 179 I C 0.532 176.802 176.117 0.255 0.000 1.036 179 I CA -0.367 61.044 61.300 0.185 0.000 1.336 179 I CB 0.862 38.925 38.000 0.105 0.000 1.407 179 I HN 0.020 nan 8.210 nan 0.000 0.497 180 I N 8.110 128.820 120.570 0.234 0.000 2.418 180 I HA 0.409 4.578 4.170 -0.001 0.000 0.287 180 I C -0.311 175.925 176.117 0.198 0.000 1.008 180 I CA -0.511 60.923 61.300 0.223 0.000 1.104 180 I CB 1.311 39.400 38.000 0.148 0.000 1.264 180 I HN 0.590 nan 8.210 nan 0.000 0.438 181 K N 4.070 124.583 120.400 0.187 0.000 2.499 181 K HA 0.671 4.991 4.320 -0.001 0.000 0.277 181 K C -0.333 176.351 176.600 0.140 0.000 1.025 181 K CA -0.804 55.588 56.287 0.175 0.000 0.900 181 K CB 2.073 34.675 32.500 0.169 0.000 1.494 181 K HN 0.574 nan 8.250 nan 0.000 0.442 182 E N 0.339 120.614 120.200 0.125 0.000 3.289 182 E HA -0.404 3.945 4.350 -0.001 0.000 0.386 182 E C 0.838 177.487 176.600 0.082 0.000 1.526 182 E CA 2.245 58.695 56.400 0.084 0.000 1.519 182 E CB -0.970 28.764 29.700 0.056 0.000 1.657 182 E HN 0.843 nan 8.360 nan 0.000 0.479 183 K N 0.727 121.165 120.400 0.063 0.000 2.296 183 K HA 0.112 4.432 4.320 -0.001 0.000 0.200 183 K C 1.943 178.579 176.600 0.061 0.000 1.048 183 K CA 1.685 58.003 56.287 0.052 0.000 0.966 183 K CB 0.147 32.668 32.500 0.036 0.000 0.754 183 K HN 0.114 nan 8.250 nan 0.000 0.466 184 S N 1.217 116.964 115.700 0.079 0.000 2.402 184 S HA -0.063 4.406 4.470 -0.001 0.000 0.229 184 S C 1.671 176.313 174.600 0.070 0.000 1.021 184 S CA 0.815 59.055 58.200 0.066 0.000 0.974 184 S CB -0.213 63.050 63.200 0.106 0.000 0.800 184 S HN 0.268 nan 8.310 nan 0.000 0.484 185 L N 1.918 123.214 121.223 0.123 0.000 2.109 185 L HA 0.045 4.385 4.340 -0.001 0.000 0.207 185 L C 1.983 178.948 176.870 0.159 0.000 1.086 185 L CA 1.698 56.648 54.840 0.183 0.000 0.760 185 L CB -0.569 41.629 42.059 0.233 0.000 0.910 185 L HN 0.054 nan 8.230 nan 0.000 0.437 186 E N -0.276 119.989 120.200 0.109 0.000 2.110 186 E HA -0.257 4.092 4.350 -0.001 0.000 0.193 186 E C 2.130 178.757 176.600 0.046 0.000 0.988 186 E CA 1.468 57.909 56.400 0.068 0.000 0.804 186 E CB -0.113 29.609 29.700 0.037 0.000 0.745 186 E HN 0.601 nan 8.360 nan 0.000 0.458 187 E N -0.167 120.055 120.200 0.036 0.000 2.047 187 E HA -0.190 4.160 4.350 -0.001 0.000 0.191 187 E C 1.991 178.591 176.600 0.001 0.000 0.987 187 E CA 0.972 57.380 56.400 0.012 0.000 0.799 187 E CB -0.118 29.581 29.700 -0.002 0.000 0.752 187 E HN 0.252 nan 8.360 nan 0.000 0.449 188 A N 1.273 124.100 122.820 0.011 0.000 1.940 188 A HA -0.197 4.122 4.320 -0.001 0.000 0.219 188 A C 2.164 179.716 177.584 -0.052 0.000 1.176 188 A CA 1.555 53.581 52.037 -0.019 0.000 0.631 188 A CB -0.453 18.598 19.000 0.085 0.000 0.814 188 A HN 0.187 nan 8.150 nan 0.000 0.446 189 R N -0.729 119.787 120.500 0.027 0.000 2.073 189 R HA -0.065 4.275 4.340 -0.001 0.000 0.229 189 R C 2.365 178.671 176.300 0.010 0.000 1.120 189 R CA 1.468 57.585 56.100 0.029 0.000 0.967 189 R CB -0.251 30.108 30.300 0.099 0.000 0.862 189 R HN 0.577 nan 8.270 nan 0.000 0.436 190 K N 0.681 121.091 120.400 0.016 0.000 2.032 190 K HA -0.135 4.184 4.320 -0.001 0.000 0.209 190 K C 1.906 178.517 176.600 0.018 0.000 1.048 190 K CA 1.403 57.701 56.287 0.019 0.000 0.927 190 K CB 0.037 32.545 32.500 0.013 0.000 0.712 190 K HN -0.008 nan 8.250 nan 0.000 0.441 191 V N 1.451 121.364 119.914 -0.002 0.000 2.358 191 V HA -0.248 3.872 4.120 -0.001 0.000 0.246 191 V C 2.234 178.331 176.094 0.005 0.000 1.047 191 V CA 1.678 63.976 62.300 -0.003 0.000 1.035 191 V CB -0.315 31.492 31.823 -0.026 0.000 0.658 191 V HN 0.315 nan 8.190 nan 0.000 0.452 192 I N 0.554 121.108 120.570 -0.025 0.000 2.163 192 I HA -0.253 3.916 4.170 -0.001 0.000 0.243 192 I C 2.336 178.490 176.117 0.063 0.000 1.085 192 I CA 1.662 62.960 61.300 -0.003 0.000 1.347 192 I CB -0.496 37.450 38.000 -0.090 0.000 1.044 192 I HN 0.348 nan 8.210 nan 0.000 0.408 193 N N 0.434 119.178 118.700 0.073 0.000 2.244 193 N HA -0.140 4.599 4.740 -0.001 0.000 0.183 193 N C 1.663 177.306 175.510 0.221 0.000 1.016 193 N CA 1.207 54.367 53.050 0.183 0.000 0.866 193 N CB -0.094 38.487 38.487 0.155 0.000 0.980 193 N HN 0.492 nan 8.380 nan 0.000 0.430 194 E N -0.510 119.762 120.200 0.120 0.000 2.251 194 E HA 0.130 4.479 4.350 -0.001 0.000 0.194 194 E C 1.807 178.456 176.600 0.081 0.000 0.964 194 E CA 0.202 56.652 56.400 0.084 0.000 0.868 194 E CB 0.626 30.353 29.700 0.046 0.000 0.828 194 E HN 0.150 nan 8.360 nan 0.000 0.481 195 R N -0.081 120.465 120.500 0.077 0.000 2.215 195 R HA 0.094 4.433 4.340 -0.001 0.000 0.190 195 R C 2.058 178.401 176.300 0.072 0.000 0.968 195 R CA 0.274 56.411 56.100 0.060 0.000 1.122 195 R CB 0.380 30.702 30.300 0.036 0.000 1.151 195 R HN -0.072 nan 8.270 nan 0.000 0.582 196 V N 2.066 122.026 119.914 0.076 0.000 2.323 196 V HA -0.039 4.080 4.120 -0.001 0.000 0.244 196 V C 1.229 177.391 176.094 0.114 0.000 1.041 196 V CA 1.064 63.413 62.300 0.080 0.000 1.025 196 V CB -0.210 31.657 31.823 0.074 0.000 0.656 196 V HN 0.162 nan 8.190 nan 0.000 0.451 197 L N 1.276 122.591 121.223 0.153 0.000 2.397 197 L HA 0.287 4.626 4.340 -0.001 0.000 0.271 197 L C 0.698 177.693 176.870 0.209 0.000 1.148 197 L CA -0.014 54.928 54.840 0.170 0.000 0.825 197 L CB 0.922 43.054 42.059 0.122 0.000 1.117 197 L HN 0.349 nan 8.230 nan 0.000 0.456 198 T N -1.199 113.450 114.554 0.160 0.000 2.912 198 T HA 0.291 4.640 4.350 -0.001 0.000 0.280 198 T C 1.227 176.066 174.700 0.231 0.000 0.989 198 T CA -0.932 61.254 62.100 0.144 0.000 0.995 198 T CB 1.638 70.540 68.868 0.056 0.000 1.077 198 T HN 0.217 nan 8.240 nan 0.000 0.531 199 V N 0.778 120.777 119.914 0.141 0.000 2.324 199 V HA -0.169 3.951 4.120 -0.001 0.000 0.250 199 V C 2.826 178.976 176.094 0.093 0.000 1.060 199 V CA 2.385 64.757 62.300 0.119 0.000 1.042 199 V CB -1.061 30.769 31.823 0.012 0.000 0.650 199 V HN 1.061 nan 8.190 nan 0.000 0.450 200 E N -0.114 120.090 120.200 0.007 0.000 2.118 200 E HA -0.278 4.072 4.350 -0.001 0.000 0.195 200 E C 1.883 178.466 176.600 -0.029 0.000 0.992 200 E CA 1.584 57.957 56.400 -0.046 0.000 0.804 200 E CB -0.067 29.590 29.700 -0.071 0.000 0.741 200 E HN 0.630 nan 8.360 nan 0.000 0.458 201 D N -0.437 119.937 120.400 -0.044 0.000 2.097 201 D HA -0.171 4.468 4.640 -0.001 0.000 0.195 201 D C 1.729 177.887 176.300 -0.237 0.000 0.989 201 D CA 1.089 54.950 54.000 -0.232 0.000 0.827 201 D CB -0.465 40.215 40.800 -0.200 0.000 0.966 201 D HN 0.330 nan 8.370 nan 0.000 0.456 202 Y N 0.903 121.213 120.300 0.016 0.000 2.181 202 Y HA -0.171 4.378 4.550 -0.001 0.000 0.288 202 Y C 2.573 178.544 175.900 0.118 0.000 1.146 202 Y CA 0.533 58.722 58.100 0.149 0.000 1.164 202 Y CB -0.475 38.076 38.460 0.152 0.000 0.982 202 Y HN -0.177 nan 8.280 nan 0.000 0.515 203 V N -0.766 119.280 119.914 0.219 0.000 2.287 203 V HA -0.355 3.765 4.120 -0.001 0.000 0.248 203 V C 1.987 178.167 176.094 0.142 0.000 1.053 203 V CA 2.194 64.598 62.300 0.173 0.000 1.027 203 V CB -0.935 30.947 31.823 0.098 0.000 0.646 203 V HN 0.492 nan 8.190 nan 0.000 0.447 204 Y N -0.127 120.140 120.300 -0.055 0.000 2.128 204 Y HA -0.294 4.256 4.550 -0.001 0.000 0.284 204 Y C 2.435 178.314 175.900 -0.034 0.000 1.154 204 Y CA 1.871 59.911 58.100 -0.100 0.000 1.149 204 Y CB -0.431 37.884 38.460 -0.241 0.000 0.976 204 Y HN 0.281 nan 8.280 nan 0.000 0.505 205 Y N -0.052 120.279 120.300 0.052 0.000 2.181 205 Y HA -0.217 4.332 4.550 -0.001 0.000 0.288 205 Y C 2.451 178.286 175.900 -0.108 0.000 1.146 205 Y CA 1.407 59.462 58.100 -0.075 0.000 1.164 205 Y CB -0.954 37.473 38.460 -0.056 0.000 0.982 205 Y HN 0.160 nan 8.280 nan 0.000 0.515 206 I N -0.266 120.383 120.570 0.131 0.000 2.252 206 I HA -0.282 3.887 4.170 -0.001 0.000 0.245 206 I C 2.264 178.378 176.117 -0.004 0.000 1.102 206 I CA 1.304 62.633 61.300 0.048 0.000 1.385 206 I CB -0.341 37.726 38.000 0.112 0.000 1.064 206 I HN 0.108 nan 8.210 nan 0.000 0.414 207 K N 0.428 120.823 120.400 -0.008 0.000 2.057 207 K HA -0.234 4.086 4.320 -0.001 0.000 0.207 207 K C 2.270 178.817 176.600 -0.088 0.000 1.049 207 K CA 1.456 57.719 56.287 -0.039 0.000 0.931 207 K CB -0.199 32.281 32.500 -0.032 0.000 0.714 207 K HN 0.109 nan 8.250 nan 0.000 0.440 208 R N 1.051 121.450 120.500 -0.169 0.000 2.073 208 R HA -0.120 4.219 4.340 -0.001 0.000 0.234 208 R C 2.101 178.359 176.300 -0.070 0.000 1.134 208 R CA 1.629 57.633 56.100 -0.160 0.000 0.952 208 R CB -0.437 29.706 30.300 -0.261 0.000 0.850 208 R HN 0.198 nan 8.270 nan 0.000 0.433 209 A N 1.049 123.826 122.820 -0.072 0.000 1.877 209 A HA -0.268 4.051 4.320 -0.001 0.000 0.216 209 A C 2.127 179.706 177.584 -0.009 0.000 1.186 209 A CA 1.778 53.781 52.037 -0.057 0.000 0.620 209 A CB -0.805 18.126 19.000 -0.114 0.000 0.822 209 A HN 0.717 nan 8.150 nan 0.000 0.443 210 Q N 0.264 120.045 119.800 -0.032 0.000 2.167 210 Q HA -0.230 4.109 4.340 -0.001 0.000 0.202 210 Q C 1.772 177.767 176.000 -0.009 0.000 0.970 210 Q CA 1.652 57.439 55.803 -0.027 0.000 0.855 210 Q CB -0.610 28.109 28.738 -0.032 0.000 0.911 210 Q HN 0.877 nan 8.270 nan 0.000 0.438 211 E N 0.311 120.513 120.200 0.003 0.000 2.107 211 E HA -0.274 4.076 4.350 -0.001 0.000 0.191 211 E C 1.812 178.431 176.600 0.032 0.000 0.982 211 E CA 1.247 57.653 56.400 0.010 0.000 0.809 211 E CB -0.489 29.215 29.700 0.007 0.000 0.756 211 E HN 0.590 nan 8.360 nan 0.000 0.459 212 H N 1.176 120.219 119.070 -0.045 0.000 2.321 212 H HA -0.031 4.524 4.556 -0.001 0.000 0.300 212 H C 2.062 177.362 175.328 -0.047 0.000 1.087 212 H CA 1.994 58.017 56.048 -0.042 0.000 1.319 212 H CB -0.102 29.629 29.762 -0.052 0.000 1.379 212 H HN 0.122 nan 8.280 nan 0.000 0.501 213 L N -0.710 120.505 121.223 -0.013 0.000 2.056 213 L HA -0.125 4.214 4.340 -0.001 0.000 0.207 213 L C 2.384 179.197 176.870 -0.094 0.000 1.078 213 L CA 0.709 55.503 54.840 -0.078 0.000 0.749 213 L CB -0.377 41.661 42.059 -0.035 0.000 0.901 213 L HN 0.284 nan 8.230 nan 0.000 0.433 214 L N -0.001 121.184 121.223 -0.062 0.000 2.046 214 L HA -0.235 4.104 4.340 -0.001 0.000 0.208 214 L C 1.974 178.814 176.870 -0.049 0.000 1.077 214 L CA 1.842 56.651 54.840 -0.052 0.000 0.747 214 L CB -0.669 41.367 42.059 -0.038 0.000 0.896 214 L HN 0.215 nan 8.230 nan 0.000 0.432 215 D N -0.803 119.558 120.400 -0.064 0.000 2.263 215 D HA -0.133 4.506 4.640 -0.001 0.000 0.208 215 D C 2.108 178.364 176.300 -0.073 0.000 0.971 215 D CA 1.076 55.043 54.000 -0.055 0.000 0.867 215 D CB -0.022 40.741 40.800 -0.062 0.000 0.929 215 D HN 0.352 nan 8.370 nan 0.000 0.492 216 L N -0.891 120.250 121.223 -0.137 0.000 2.591 216 L HA 0.183 4.523 4.340 -0.001 0.000 0.228 216 L C 1.434 178.258 176.870 -0.078 0.000 1.133 216 L CA 0.322 55.076 54.840 -0.144 0.000 0.880 216 L CB 0.152 42.056 42.059 -0.258 0.000 1.033 216 L HN 0.112 nan 8.230 nan 0.000 0.450 217 G N 0.093 108.882 108.800 -0.019 0.000 2.141 217 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.242 217 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.242 217 G C 0.143 175.086 174.900 0.072 0.000 0.982 217 G CA 0.015 45.152 45.100 0.063 0.000 0.662 217 G HN 0.096 nan 8.290 nan 0.000 0.527 218 V N 0.881 120.782 119.914 -0.021 0.000 2.353 218 V HA 0.379 4.498 4.120 -0.001 0.000 0.264 218 V C 1.110 177.176 176.094 -0.047 0.000 1.049 218 V CA 0.236 62.524 62.300 -0.020 0.000 0.896 218 V CB 1.266 33.047 31.823 -0.069 0.000 1.025 218 V HN 0.355 nan 8.190 nan 0.000 0.475 219 K N 2.097 122.463 120.400 -0.057 0.000 2.358 219 K HA 0.309 4.628 4.320 -0.001 0.000 0.200 219 K C 0.140 176.645 176.600 -0.158 0.000 1.030 219 K CA 0.072 56.304 56.287 -0.092 0.000 1.097 219 K CB 0.803 33.254 32.500 -0.081 0.000 0.862 219 K HN 0.599 nan 8.250 nan 0.000 0.534 220 S N 0.667 116.199 115.700 -0.280 0.000 2.540 220 S HA 0.485 4.954 4.470 -0.001 0.000 0.275 220 S C -1.005 173.223 174.600 -0.621 0.000 1.123 220 S CA -0.928 56.922 58.200 -0.583 0.000 0.907 220 S CB 2.451 64.945 63.200 -1.176 0.000 1.081 220 S HN 0.067 nan 8.310 nan 0.000 0.476 221 V N -0.610 119.102 119.914 -0.336 0.000 3.049 221 V HA 0.841 4.960 4.120 -0.001 0.000 0.309 221 V C -0.672 175.624 176.094 0.337 0.000 1.148 221 V CA -0.773 61.543 62.300 0.026 0.000 0.990 221 V CB 1.960 33.811 31.823 0.047 0.000 1.039 221 V HN 0.706 nan 8.190 nan 0.000 0.430 222 S N 4.057 120.010 115.700 0.422 0.000 2.422 222 S HA 0.604 5.074 4.470 -0.001 0.000 0.298 222 S C -0.733 174.027 174.600 0.267 0.000 1.118 222 S CA -0.210 58.231 58.200 0.402 0.000 1.083 222 S CB 0.692 64.031 63.200 0.231 0.000 0.971 222 S HN 0.810 nan 8.310 nan 0.000 0.478 223 F N 5.949 125.975 119.950 0.126 0.000 2.390 223 F HA 0.468 4.995 4.527 -0.001 0.000 0.361 223 F C -0.474 175.321 175.800 -0.008 0.000 1.124 223 F CA -1.893 56.116 58.000 0.015 0.000 1.149 223 F CB 0.158 39.186 39.000 0.047 0.000 1.160 223 F HN 0.353 nan 8.300 nan 0.000 0.501 224 M N 4.213 123.872 119.600 0.098 0.000 2.277 224 M HA 0.215 4.694 4.480 -0.001 0.000 0.350 224 M C 0.706 177.006 176.300 -0.001 0.000 1.180 224 M CA -0.259 54.951 55.300 -0.151 0.000 1.103 224 M CB 0.629 32.864 32.600 -0.608 0.000 1.577 224 M HN 0.637 nan 8.290 nan 0.000 0.459 225 S N 0.338 116.047 115.700 0.015 0.000 3.697 225 S HA -0.068 4.401 4.470 -0.001 0.000 0.388 225 S C -0.102 174.455 174.600 -0.071 0.000 0.941 225 S CA -0.116 58.134 58.200 0.083 0.000 1.247 225 S CB -1.720 61.654 63.200 0.291 0.000 0.904 225 S HN 0.588 nan 8.310 nan 0.000 0.518 226 V N 3.044 122.758 119.914 -0.333 0.000 2.446 226 V HA 0.178 4.297 4.120 -0.001 0.000 0.276 226 V C 0.983 176.935 176.094 -0.237 0.000 1.030 226 V CA -0.186 61.790 62.300 -0.539 0.000 1.033 226 V CB 0.215 31.613 31.823 -0.709 0.000 0.993 226 V HN 0.792 nan 8.190 nan 0.000 0.477 227 N N 4.134 122.740 118.700 -0.157 0.000 2.431 227 N HA 0.190 4.929 4.740 -0.001 0.000 0.289 227 N C 0.745 176.155 175.510 -0.167 0.000 1.277 227 N CA -0.615 52.370 53.050 -0.109 0.000 0.972 227 N CB 0.573 39.036 38.487 -0.040 0.000 1.143 227 N HN 0.395 nan 8.380 nan 0.000 0.578 228 E N -0.316 119.803 120.200 -0.134 0.000 2.051 228 E HA -0.082 4.268 4.350 -0.001 0.000 0.192 228 E C 1.430 177.920 176.600 -0.184 0.000 0.991 228 E CA 1.642 57.971 56.400 -0.120 0.000 0.799 228 E CB -0.105 29.554 29.700 -0.068 0.000 0.748 228 E HN 0.558 nan 8.360 nan 0.000 0.449 229 K N 0.040 120.252 120.400 -0.312 0.000 2.155 229 K HA 0.050 4.369 4.320 -0.001 0.000 0.203 229 K C 2.141 178.375 176.600 -0.609 0.000 1.052 229 K CA 0.862 56.876 56.287 -0.455 0.000 0.948 229 K CB -0.052 32.119 32.500 -0.549 0.000 0.728 229 K HN 0.088 nan 8.250 nan 0.000 0.448 230 A N 1.523 123.899 122.820 -0.739 0.000 1.902 230 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 230 A C 2.085 179.577 177.584 -0.153 0.000 1.181 230 A CA 1.130 52.993 52.037 -0.290 0.000 0.623 230 A CB -0.476 18.512 19.000 -0.021 0.000 0.818 230 A HN 0.209 nan 8.150 nan 0.000 0.443 231 L N -0.050 121.030 121.223 -0.239 0.000 2.046 231 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 231 L C 2.456 179.196 176.870 -0.216 0.000 1.077 231 L CA 1.892 56.548 54.840 -0.306 0.000 0.747 231 L CB -0.610 41.271 42.059 -0.296 0.000 0.896 231 L HN 0.350 nan 8.230 nan 0.000 0.432 232 R N -0.654 119.821 120.500 -0.042 0.000 2.091 232 R HA -0.159 4.181 4.340 -0.001 0.000 0.238 232 R C 2.228 178.613 176.300 0.141 0.000 1.136 232 R CA 1.373 57.542 56.100 0.116 0.000 0.959 232 R CB -0.702 29.631 30.300 0.055 0.000 0.856 232 R HN 0.532 nan 8.270 nan 0.000 0.437 233 A N 1.236 124.102 122.820 0.077 0.000 1.902 233 A HA -0.130 4.189 4.320 -0.001 0.000 0.217 233 A C 2.202 179.906 177.584 0.200 0.000 1.181 233 A CA 1.139 53.274 52.037 0.163 0.000 0.623 233 A CB -0.533 18.581 19.000 0.190 0.000 0.818 233 A HN 0.172 nan 8.150 nan 0.000 0.443 234 L N -1.902 119.370 121.223 0.082 0.000 2.017 234 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 234 L C 2.511 179.411 176.870 0.050 0.000 1.073 234 L CA 1.288 56.143 54.840 0.025 0.000 0.745 234 L CB -0.614 41.381 42.059 -0.107 0.000 0.894 234 L HN 0.338 nan 8.230 nan 0.000 0.432 235 F N -0.775 119.215 119.950 0.068 0.000 2.126 235 F HA -0.286 4.241 4.527 -0.001 0.000 0.299 235 F C 2.560 178.401 175.800 0.069 0.000 1.096 235 F CA 1.289 59.313 58.000 0.040 0.000 1.255 235 F CB -1.137 37.873 39.000 0.016 0.000 0.997 235 F HN 0.034 nan 8.300 nan 0.000 0.479 236 Y N 0.486 120.906 120.300 0.200 0.000 2.097 236 Y HA -0.240 4.310 4.550 -0.001 0.000 0.282 236 Y C 2.220 178.176 175.900 0.093 0.000 1.152 236 Y CA 1.717 59.888 58.100 0.118 0.000 1.136 236 Y CB -0.713 37.805 38.460 0.097 0.000 0.975 236 Y HN 0.002 nan 8.280 nan 0.000 0.498 237 L N 0.091 121.365 121.223 0.084 0.000 2.046 237 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 237 L C 2.525 179.359 176.870 -0.061 0.000 1.077 237 L CA 1.821 56.645 54.840 -0.026 0.000 0.747 237 L CB -0.660 41.459 42.059 0.099 0.000 0.896 237 L HN 0.277 nan 8.230 nan 0.000 0.432 238 E N 1.191 121.397 120.200 0.010 0.000 2.058 238 E HA -0.266 4.083 4.350 -0.001 0.000 0.194 238 E C 2.197 178.789 176.600 -0.014 0.000 0.997 238 E CA 1.782 58.194 56.400 0.019 0.000 0.801 238 E CB -0.092 29.660 29.700 0.086 0.000 0.746 238 E HN 0.458 nan 8.360 nan 0.000 0.450 239 R N -0.015 120.465 120.500 -0.033 0.000 2.148 239 R HA 0.008 4.347 4.340 -0.001 0.000 0.223 239 R C 1.553 177.780 176.300 -0.121 0.000 1.088 239 R CA 1.303 57.367 56.100 -0.060 0.000 0.985 239 R CB -0.282 29.991 30.300 -0.046 0.000 0.880 239 R HN 0.097 nan 8.270 nan 0.000 0.451 240 E N 0.795 120.856 120.200 -0.232 0.000 2.481 240 E HA 0.023 4.372 4.350 -0.001 0.000 0.195 240 E C 0.828 177.351 176.600 -0.127 0.000 1.047 240 E CA 0.765 57.023 56.400 -0.238 0.000 0.867 240 E CB 0.315 29.749 29.700 -0.443 0.000 0.858 240 E HN 0.668 nan 8.360 nan 0.000 0.513 241 G N 2.301 111.048 108.800 -0.090 0.000 2.249 241 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.273 241 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.273 241 G C 0.671 175.544 174.900 -0.045 0.000 1.036 241 G CA 0.831 45.902 45.100 -0.049 0.000 0.824 241 G HN 0.291 nan 8.290 nan 0.000 0.504 242 K N -0.878 119.489 120.400 -0.056 0.000 2.373 242 K HA 0.352 4.672 4.320 -0.001 0.000 0.202 242 K C 0.890 177.484 176.600 -0.009 0.000 1.025 242 K CA -0.341 55.929 56.287 -0.028 0.000 1.115 242 K CB 0.583 33.069 32.500 -0.023 0.000 0.858 242 K HN 0.375 nan 8.250 nan 0.000 0.525 243 L N 2.126 123.340 121.223 -0.015 0.000 2.315 243 L HA 0.061 4.400 4.340 -0.001 0.000 0.283 243 L C 1.062 177.917 176.870 -0.024 0.000 1.089 243 L CA -0.063 54.770 54.840 -0.011 0.000 0.833 243 L CB 1.107 43.159 42.059 -0.011 0.000 1.170 243 L HN 0.184 nan 8.230 nan 0.000 0.442 244 S N 3.979 119.664 115.700 -0.025 0.000 2.540 244 S HA 0.237 4.707 4.470 -0.001 0.000 0.218 244 S C 0.280 174.851 174.600 -0.048 0.000 0.977 244 S CA -0.463 57.717 58.200 -0.034 0.000 0.918 244 S CB -0.160 63.024 63.200 -0.027 0.000 0.806 244 S HN 0.541 nan 8.310 nan 0.000 0.496 245 I N -1.740 118.799 120.570 -0.051 0.000 2.934 245 I HA 0.583 4.752 4.170 -0.001 0.000 0.306 245 I C -1.333 174.737 176.117 -0.078 0.000 1.110 245 I CA -1.299 59.960 61.300 -0.069 0.000 1.019 245 I CB 1.410 39.367 38.000 -0.072 0.000 1.227 245 I HN -0.253 nan 8.210 nan 0.000 0.434 246 N N 3.008 121.649 118.700 -0.098 0.000 2.475 246 N HA 0.300 5.040 4.740 -0.001 0.000 0.267 246 N C -0.858 174.590 175.510 -0.104 0.000 1.169 246 N CA -0.132 52.848 53.050 -0.118 0.000 0.947 246 N CB 1.914 40.370 38.487 -0.051 0.000 1.061 246 N HN 0.411 nan 8.380 nan 0.000 0.466 247 V N 3.666 123.482 119.914 -0.163 0.000 2.407 247 V HA 0.354 4.473 4.120 -0.001 0.000 0.291 247 V C -0.555 175.444 176.094 -0.158 0.000 1.018 247 V CA -0.673 61.608 62.300 -0.032 0.000 0.842 247 V CB 0.424 32.266 31.823 0.032 0.000 0.996 247 V HN 0.428 nan 8.190 nan 0.000 0.426 248 F N 3.569 123.608 119.950 0.148 0.000 2.313 248 F HA 0.640 5.166 4.527 -0.001 0.000 0.369 248 F C 0.862 176.778 175.800 0.194 0.000 1.109 248 F CA -0.438 57.667 58.000 0.175 0.000 1.132 248 F CB 1.192 40.373 39.000 0.301 0.000 1.291 248 F HN 0.549 nan 8.300 nan 0.000 0.496 249 A N 4.166 127.050 122.820 0.105 0.000 2.354 249 A HA 0.411 4.730 4.320 -0.001 0.000 0.281 249 A C -1.314 176.223 177.584 -0.079 0.000 1.174 249 A CA -0.191 51.842 52.037 -0.006 0.000 0.828 249 A CB -0.267 18.633 19.000 -0.167 0.000 1.099 249 A HN 0.632 nan 8.150 nan 0.000 0.516 250 Y N 2.603 122.846 120.300 -0.095 0.000 2.417 250 Y HA 0.387 4.936 4.550 -0.001 0.000 0.336 250 Y C 0.720 176.534 175.900 -0.144 0.000 0.961 250 Y CA -0.535 57.517 58.100 -0.080 0.000 1.215 250 Y CB 1.311 39.738 38.460 -0.055 0.000 1.120 250 Y HN 0.667 nan 8.280 nan 0.000 0.499 251 V N 0.587 120.478 119.914 -0.039 0.000 3.083 251 V HA 0.549 4.668 4.120 -0.001 0.000 0.306 251 V C 0.475 176.569 176.094 0.000 0.000 1.077 251 V CA -0.758 61.499 62.300 -0.072 0.000 1.073 251 V CB 0.969 32.738 31.823 -0.090 0.000 1.081 251 V HN 0.764 nan 8.190 nan 0.000 0.474 252 T N 0.138 114.692 114.554 0.000 0.000 2.860 252 T HA 0.337 4.687 4.350 -0.001 0.000 0.299 252 T C -1.639 173.087 174.700 0.043 0.000 1.045 252 T CA -0.918 61.214 62.100 0.054 0.000 1.071 252 T CB 0.696 69.595 68.868 0.053 0.000 0.985 252 T HN 0.630 nan 8.240 nan 0.000 0.537 253 P HA -0.097 nan 4.420 nan 0.000 0.217 253 P C 1.224 178.541 177.300 0.029 0.000 1.148 253 P CA 1.067 64.196 63.100 0.048 0.000 0.828 253 P CB 0.049 31.787 31.700 0.063 0.000 0.783 254 E N -0.926 119.291 120.200 0.027 0.000 2.072 254 E HA -0.105 4.245 4.350 -0.001 0.000 0.191 254 E C 2.005 178.608 176.600 0.004 0.000 0.985 254 E CA 0.865 57.274 56.400 0.015 0.000 0.801 254 E CB -1.228 28.481 29.700 0.015 0.000 0.750 254 E HN 0.034 nan 8.360 nan 0.000 0.452 255 V N 0.891 120.802 119.914 -0.004 0.000 2.427 255 V HA -0.192 3.927 4.120 -0.001 0.000 0.248 255 V C 2.175 178.263 176.094 -0.010 0.000 1.051 255 V CA 1.294 63.584 62.300 -0.016 0.000 1.048 255 V CB -0.422 31.375 31.823 -0.044 0.000 0.666 255 V HN 0.234 nan 8.190 nan 0.000 0.456 256 L N 0.657 121.877 121.223 -0.006 0.000 2.042 256 L HA -0.207 4.132 4.340 -0.001 0.000 0.210 256 L C 2.048 178.917 176.870 -0.001 0.000 1.076 256 L CA 2.113 56.950 54.840 -0.005 0.000 0.749 256 L CB -0.980 41.080 42.059 0.002 0.000 0.893 256 L HN 0.296 nan 8.230 nan 0.000 0.432 257 D N -0.117 120.284 120.400 0.002 0.000 2.149 257 D HA -0.203 4.436 4.640 -0.001 0.000 0.198 257 D C 2.143 178.443 176.300 -0.000 0.000 0.990 257 D CA 1.463 55.465 54.000 0.002 0.000 0.839 257 D CB -0.068 40.734 40.800 0.005 0.000 0.948 257 D HN 0.469 nan 8.370 nan 0.000 0.460 258 K N 0.066 120.466 120.400 0.000 0.000 2.103 258 K HA 0.026 4.345 4.320 -0.001 0.000 0.204 258 K C 2.343 178.944 176.600 0.002 0.000 1.052 258 K CA 0.291 56.579 56.287 0.001 0.000 0.945 258 K CB -0.005 32.497 32.500 0.004 0.000 0.722 258 K HN 0.161 nan 8.250 nan 0.000 0.443 259 L N 0.979 122.205 121.223 0.004 0.000 2.017 259 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 259 L C 2.632 179.499 176.870 -0.004 0.000 1.073 259 L CA 1.493 56.337 54.840 0.005 0.000 0.745 259 L CB -0.542 41.520 42.059 0.005 0.000 0.894 259 L HN 0.234 nan 8.230 nan 0.000 0.432 260 E N 0.822 121.020 120.200 -0.005 0.000 2.118 260 E HA -0.251 4.099 4.350 -0.001 0.000 0.195 260 E C 2.140 178.735 176.600 -0.008 0.000 0.992 260 E CA 1.766 58.162 56.400 -0.006 0.000 0.804 260 E CB -0.165 29.531 29.700 -0.006 0.000 0.741 260 E HN 0.457 nan 8.360 nan 0.000 0.458 261 S N 0.322 116.017 115.700 -0.008 0.000 2.442 261 S HA -0.175 4.295 4.470 -0.001 0.000 0.236 261 S C 1.952 176.542 174.600 -0.016 0.000 1.007 261 S CA 1.162 59.356 58.200 -0.011 0.000 0.965 261 S CB -0.791 62.403 63.200 -0.010 0.000 0.773 261 S HN 0.610 nan 8.310 nan 0.000 0.504 262 I N -3.774 116.784 120.570 -0.021 0.000 4.082 262 I HA 0.595 4.765 4.170 -0.001 0.000 0.337 262 I C 1.331 177.433 176.117 -0.025 0.000 1.352 262 I CA 0.060 61.342 61.300 -0.030 0.000 1.097 262 I CB -0.033 37.937 38.000 -0.050 0.000 1.048 262 I HN 0.318 nan 8.210 nan 0.000 0.393 263 G N 2.474 111.265 108.800 -0.015 0.000 2.136 263 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.242 263 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.242 263 G C -0.180 174.720 174.900 0.001 0.000 0.989 263 G CA 0.229 45.326 45.100 -0.006 0.000 0.682 263 G HN 0.406 nan 8.290 nan 0.000 0.522 264 L N 1.905 123.123 121.223 -0.007 0.000 2.369 264 L HA 0.703 5.043 4.340 -0.001 0.000 0.279 264 L C 0.973 177.859 176.870 0.028 0.000 1.108 264 L CA 0.712 55.554 54.840 0.003 0.000 0.852 264 L CB 0.452 42.493 42.059 -0.030 0.000 1.169 264 L HN 0.325 nan 8.230 nan 0.000 0.452 265 G N 4.750 113.586 108.800 0.059 0.000 3.099 265 G HA2 0.285 4.245 3.960 -0.001 0.000 0.151 265 G HA3 0.285 4.245 3.960 -0.001 0.000 0.151 265 G C -0.597 174.353 174.900 0.082 0.000 1.265 265 G CA -0.918 44.209 45.100 0.045 0.000 0.981 265 G HN 0.646 nan 8.290 nan 0.000 0.601 266 R N -0.494 120.039 120.500 0.056 0.000 2.538 266 R HA 0.232 4.572 4.340 -0.001 0.000 0.282 266 R C -1.606 174.789 176.300 0.158 0.000 1.009 266 R CA 0.259 56.401 56.100 0.069 0.000 1.063 266 R CB -0.181 30.135 30.300 0.026 0.000 0.945 266 R HN 0.283 nan 8.270 nan 0.000 0.414 267 F N 3.040 122.987 119.950 -0.005 0.000 2.630 267 F HA 0.138 4.664 4.527 -0.001 0.000 0.325 267 F C -1.082 174.714 175.800 -0.006 0.000 1.184 267 F CA -0.758 57.246 58.000 0.005 0.000 1.011 267 F CB 1.763 40.778 39.000 0.025 0.000 1.268 267 F HN 0.430 nan 8.300 nan 0.000 0.480 268 Q N 4.601 124.277 119.800 -0.207 0.000 2.368 268 Q HA 0.614 4.953 4.340 -0.001 0.000 0.256 268 Q C -0.163 175.777 176.000 -0.099 0.000 0.980 268 Q CA -0.241 55.496 55.803 -0.110 0.000 0.887 268 Q CB 1.490 30.163 28.738 -0.110 0.000 1.221 268 Q HN 0.818 nan 8.270 nan 0.000 0.458 269 G N 2.559 111.395 108.800 0.059 0.000 2.630 269 G HA2 0.029 3.988 3.960 -0.001 0.000 0.223 269 G HA3 0.029 3.988 3.960 -0.001 0.000 0.223 269 G C 0.439 175.348 174.900 0.014 0.000 1.434 269 G CA -0.141 45.019 45.100 0.101 0.000 1.057 269 G HN 0.675 nan 8.290 nan 0.000 0.570 270 N N -0.935 117.779 118.700 0.025 0.000 2.109 270 N HA -0.041 4.699 4.740 -0.001 0.000 0.188 270 N C 1.998 177.484 175.510 -0.041 0.000 1.034 270 N CA 1.207 54.255 53.050 -0.003 0.000 0.846 270 N CB 0.121 38.613 38.487 0.009 0.000 1.010 270 N HN 0.255 nan 8.380 nan 0.000 0.425 271 R N -1.064 119.407 120.500 -0.049 0.000 2.310 271 R HA 0.239 4.578 4.340 -0.001 0.000 0.199 271 R C -0.395 175.815 176.300 -0.151 0.000 0.891 271 R CA -0.289 55.756 56.100 -0.090 0.000 1.060 271 R CB -0.467 29.796 30.300 -0.062 0.000 1.188 271 R HN 0.226 nan 8.270 nan 0.000 0.607 272 L N 2.010 123.174 121.223 -0.099 0.000 2.276 272 L HA 0.355 4.694 4.340 -0.001 0.000 0.286 272 L C -0.868 175.916 176.870 -0.144 0.000 1.061 272 L CA 0.371 55.139 54.840 -0.120 0.000 0.807 272 L CB 1.715 43.753 42.059 -0.036 0.000 1.177 272 L HN -0.053 nan 8.230 nan 0.000 0.429 273 T N 6.311 120.696 114.554 -0.281 0.000 2.792 273 T HA 0.481 4.830 4.350 -0.001 0.000 0.280 273 T C -0.082 174.558 174.700 -0.100 0.000 0.990 273 T CA -0.395 61.581 62.100 -0.208 0.000 0.960 273 T CB 0.957 69.558 68.868 -0.446 0.000 0.939 273 T HN 0.306 nan 8.240 nan 0.000 0.439 274 I N 3.423 123.997 120.570 0.006 0.000 2.406 274 I HA 0.232 4.401 4.170 -0.001 0.000 0.293 274 I C 1.166 177.253 176.117 -0.051 0.000 1.101 274 I CA -0.137 61.148 61.300 -0.025 0.000 1.334 274 I CB -0.242 37.793 38.000 0.057 0.000 1.421 274 I HN 0.819 nan 8.210 nan 0.000 0.513 275 A N 5.088 127.810 122.820 -0.163 0.000 1.963 275 A HA 0.659 4.979 4.320 -0.001 0.000 0.207 275 A C 1.030 178.332 177.584 -0.470 0.000 1.243 275 A CA 0.780 52.670 52.037 -0.244 0.000 0.728 275 A CB 0.287 19.162 19.000 -0.209 0.000 0.895 275 A HN 0.733 nan 8.150 nan 0.000 0.467 276 G N -1.995 106.429 108.800 -0.628 0.000 2.427 276 G HA2 0.458 4.417 3.960 -0.001 0.000 0.306 276 G HA3 0.458 4.417 3.960 -0.001 0.000 0.306 276 G C -1.706 173.075 174.900 -0.198 0.000 1.280 276 G CA 0.310 45.122 45.100 -0.480 0.000 0.837 276 G HN 0.822 nan 8.290 nan 0.000 0.482 277 V N -0.335 119.602 119.914 0.038 0.000 2.864 277 V HA 0.859 4.979 4.120 -0.001 0.000 0.314 277 V C -0.999 175.231 176.094 0.227 0.000 1.073 277 V CA -0.914 61.450 62.300 0.107 0.000 0.956 277 V CB 1.921 33.782 31.823 0.063 0.000 1.023 277 V HN 0.932 nan 8.190 nan 0.000 0.435 278 K N 5.438 125.925 120.400 0.144 0.000 2.274 278 K HA 0.711 5.031 4.320 -0.001 0.000 0.262 278 K C -1.506 175.076 176.600 -0.030 0.000 0.961 278 K CA -0.261 56.053 56.287 0.044 0.000 0.833 278 K CB 1.076 33.566 32.500 -0.018 0.000 1.102 278 K HN 0.685 nan 8.250 nan 0.000 0.436 279 L N 3.780 124.938 121.223 -0.107 0.000 2.301 279 L HA 0.646 4.985 4.340 -0.001 0.000 0.264 279 L C -0.761 175.931 176.870 -0.297 0.000 1.016 279 L CA -1.160 53.638 54.840 -0.070 0.000 0.821 279 L CB 1.323 43.396 42.059 0.023 0.000 1.346 279 L HN 0.513 nan 8.230 nan 0.000 0.429 280 F N -1.238 118.742 119.950 0.050 0.000 2.540 280 F HA 0.343 4.870 4.527 -0.001 0.000 0.317 280 F C 0.953 176.766 175.800 0.021 0.000 1.104 280 F CA -0.525 57.485 58.000 0.017 0.000 0.913 280 F CB 2.191 41.127 39.000 -0.107 0.000 1.170 280 F HN 0.568 nan 8.300 nan 0.000 0.450 281 T N -2.831 111.860 114.554 0.228 0.000 3.021 281 T HA 0.138 4.487 4.350 -0.001 0.000 0.245 281 T C 0.102 174.891 174.700 0.150 0.000 1.028 281 T CA 0.698 62.886 62.100 0.146 0.000 1.139 281 T CB -0.018 68.907 68.868 0.094 0.000 0.884 281 T HN 0.572 nan 8.240 nan 0.000 0.457 282 D N 0.027 120.560 120.400 0.221 0.000 2.798 282 D HA 0.573 5.213 4.640 -0.001 0.000 0.308 282 D C 0.530 176.910 176.300 0.134 0.000 1.187 282 D CA -0.465 53.633 54.000 0.164 0.000 1.033 282 D CB 1.002 41.901 40.800 0.164 0.000 1.445 282 D HN 0.233 nan 8.370 nan 0.000 0.550 283 G N -0.566 108.310 108.800 0.127 0.000 3.182 283 G HA2 0.524 4.484 3.960 -0.001 0.000 0.167 283 G HA3 0.524 4.484 3.960 -0.001 0.000 0.167 283 G C -0.415 174.623 174.900 0.229 0.000 1.537 283 G CA 0.043 45.204 45.100 0.102 0.000 1.046 283 G HN 0.842 nan 8.290 nan 0.000 0.580 284 S N -1.419 114.375 115.700 0.157 0.000 2.599 284 S HA 0.490 4.959 4.470 -0.001 0.000 0.294 284 S C 0.906 175.597 174.600 0.151 0.000 1.094 284 S CA -0.732 57.579 58.200 0.185 0.000 0.931 284 S CB 1.870 65.198 63.200 0.213 0.000 1.093 284 S HN 0.288 nan 8.310 nan 0.000 0.488 285 L N 1.283 122.641 121.223 0.225 0.000 2.141 285 L HA 0.098 4.438 4.340 -0.001 0.000 0.209 285 L C 2.750 179.551 176.870 -0.115 0.000 1.094 285 L CA 1.478 56.465 54.840 0.246 0.000 0.763 285 L CB -1.019 41.292 42.059 0.419 0.000 0.908 285 L HN 1.008 nan 8.230 nan 0.000 0.437 286 G N -0.199 108.390 108.800 -0.351 0.000 2.446 286 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.217 286 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.217 286 G C 1.567 176.100 174.900 -0.612 0.000 1.168 286 G CA 0.778 45.273 45.100 -1.009 0.000 0.771 286 G HN 0.471 nan 8.290 nan 0.000 0.551 287 A N -0.431 122.190 122.820 -0.332 0.000 2.251 287 A HA 0.357 4.676 4.320 -0.001 0.000 0.209 287 A C 1.430 178.794 177.584 -0.368 0.000 1.187 287 A CA 0.651 52.477 52.037 -0.352 0.000 0.823 287 A CB -0.158 18.659 19.000 -0.306 0.000 0.846 287 A HN 0.418 nan 8.150 nan 0.000 0.486 288 R N -1.127 119.123 120.500 -0.417 0.000 3.531 288 R HA -0.157 4.183 4.340 -0.001 0.000 0.280 288 R C 0.679 176.773 176.300 -0.344 0.000 1.130 288 R CA 1.042 56.703 56.100 -0.731 0.000 0.757 288 R CB -2.913 26.714 30.300 -1.122 0.000 1.218 288 R HN 0.711 nan 8.270 nan 0.000 0.454 289 T N -3.742 110.759 114.554 -0.089 0.000 3.023 289 T HA 0.437 4.786 4.350 -0.001 0.000 0.253 289 T C 0.868 175.638 174.700 0.117 0.000 1.038 289 T CA 0.236 62.339 62.100 0.005 0.000 0.962 289 T CB 0.612 69.460 68.868 -0.032 0.000 1.018 289 T HN 0.449 nan 8.240 nan 0.000 0.521 290 A N 1.851 124.794 122.820 0.205 0.000 2.477 290 A HA 0.585 4.904 4.320 -0.001 0.000 0.246 290 A C -0.058 177.649 177.584 0.205 0.000 1.078 290 A CA -0.528 51.636 52.037 0.212 0.000 0.770 290 A CB -0.083 19.042 19.000 0.208 0.000 1.011 290 A HN 0.485 nan 8.150 nan 0.000 0.494 291 L N 3.913 125.209 121.223 0.122 0.000 2.261 291 L HA 0.471 4.810 4.340 -0.001 0.000 0.289 291 L C -0.476 176.410 176.870 0.026 0.000 1.059 291 L CA 0.276 55.166 54.840 0.083 0.000 0.816 291 L CB 0.046 42.144 42.059 0.065 0.000 1.191 291 L HN 0.600 nan 8.230 nan 0.000 0.431 292 L N 3.597 124.815 121.223 -0.009 0.000 2.334 292 L HA 0.469 4.808 4.340 -0.001 0.000 0.270 292 L C 1.229 178.092 176.870 -0.011 0.000 1.018 292 L CA -0.631 54.175 54.840 -0.056 0.000 0.811 292 L CB 1.623 43.551 42.059 -0.218 0.000 1.271 292 L HN 0.542 nan 8.230 nan 0.000 0.443 293 S N -0.411 115.298 115.700 0.016 0.000 2.489 293 S HA 0.076 4.545 4.470 -0.001 0.000 0.228 293 S C 0.287 174.906 174.600 0.032 0.000 0.995 293 S CA 0.766 58.981 58.200 0.025 0.000 0.934 293 S CB -0.018 63.202 63.200 0.032 0.000 0.771 293 S HN 0.454 nan 8.310 nan 0.000 0.522 294 K N 0.642 121.055 120.400 0.022 0.000 2.477 294 K HA 0.430 4.749 4.320 -0.001 0.000 0.255 294 K C -3.094 173.489 176.600 -0.027 0.000 0.952 294 K CA -2.397 53.894 56.287 0.007 0.000 0.826 294 K CB 1.675 34.183 32.500 0.013 0.000 1.331 294 K HN -0.181 nan 8.250 nan 0.000 0.437 295 P HA -0.062 nan 4.420 nan 0.000 0.269 295 P C -0.890 176.413 177.300 0.005 0.000 1.217 295 P CA 0.069 63.193 63.100 0.039 0.000 0.783 295 P CB 0.227 31.963 31.700 0.060 0.000 0.898 296 Y N 0.142 120.440 120.300 -0.003 0.000 2.597 296 Y HA -0.058 4.492 4.550 -0.001 0.000 0.336 296 Y C 2.115 178.007 175.900 -0.013 0.000 1.216 296 Y CA 0.967 59.061 58.100 -0.009 0.000 1.463 296 Y CB -0.084 38.365 38.460 -0.019 0.000 1.303 296 Y HN 0.351 nan 8.280 nan 0.000 0.576 297 S N 0.722 116.484 115.700 0.103 0.000 2.423 297 S HA -0.146 4.324 4.470 -0.001 0.000 0.231 297 S C 1.033 175.677 174.600 0.073 0.000 1.014 297 S CA 1.349 59.581 58.200 0.054 0.000 0.965 297 S CB -0.141 63.067 63.200 0.013 0.000 0.785 297 S HN 0.818 nan 8.310 nan 0.000 0.495 298 D N -0.134 120.330 120.400 0.108 0.000 2.395 298 D HA 0.136 4.775 4.640 -0.001 0.000 0.213 298 D C -0.348 175.978 176.300 0.043 0.000 1.110 298 D CA -0.009 54.031 54.000 0.068 0.000 0.835 298 D CB 0.101 40.939 40.800 0.062 0.000 0.965 298 D HN 0.077 nan 8.370 nan 0.000 0.505 299 D N 0.211 120.655 120.400 0.072 0.000 2.411 299 D HA 0.182 4.822 4.640 -0.001 0.000 0.239 299 D C -2.329 174.018 176.300 0.077 0.000 1.307 299 D CA -1.501 52.519 54.000 0.033 0.000 0.930 299 D CB 1.823 42.590 40.800 -0.054 0.000 1.395 299 D HN -0.212 nan 8.370 nan 0.000 0.536 300 P HA -0.033 nan 4.420 nan 0.000 0.234 300 P C 1.182 178.511 177.300 0.048 0.000 1.167 300 P CA 0.569 63.702 63.100 0.055 0.000 0.763 300 P CB 0.231 31.951 31.700 0.034 0.000 0.835 301 S N -3.254 112.467 115.700 0.035 0.000 2.527 301 S HA 0.065 4.535 4.470 -0.001 0.000 0.222 301 S C 0.863 175.482 174.600 0.033 0.000 0.985 301 S CA 0.342 58.556 58.200 0.023 0.000 0.921 301 S CB -0.717 62.486 63.200 0.005 0.000 0.772 301 S HN 0.084 nan 8.310 nan 0.000 0.529 302 T N -0.291 114.300 114.554 0.061 0.000 2.903 302 T HA 0.581 4.930 4.350 -0.001 0.000 0.299 302 T C -0.282 174.547 174.700 0.214 0.000 1.093 302 T CA -0.576 61.575 62.100 0.084 0.000 1.002 302 T CB 1.990 70.861 68.868 0.004 0.000 1.127 302 T HN 0.020 nan 8.240 nan 0.000 0.488 303 S N 1.675 117.490 115.700 0.193 0.000 2.701 303 S HA 0.581 5.050 4.470 -0.001 0.000 0.242 303 S C 0.685 175.441 174.600 0.261 0.000 1.025 303 S CA 0.094 58.420 58.200 0.210 0.000 1.016 303 S CB 0.218 63.472 63.200 0.090 0.000 0.977 303 S HN 1.414 nan 8.310 nan 0.000 0.546 304 G N 1.574 110.538 108.800 0.274 0.000 2.500 304 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.209 304 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.209 304 G C -1.049 173.910 174.900 0.098 0.000 1.283 304 G CA -0.664 44.568 45.100 0.219 0.000 0.960 304 G HN 0.349 nan 8.290 nan 0.000 0.528 305 Q N -0.884 118.962 119.800 0.078 0.000 2.275 305 Q HA 0.551 4.891 4.340 -0.001 0.000 0.258 305 Q C -1.255 174.771 176.000 0.044 0.000 0.960 305 Q CA -0.914 54.914 55.803 0.042 0.000 0.801 305 Q CB 1.734 30.480 28.738 0.013 0.000 1.302 305 Q HN 1.029 nan 8.270 nan 0.000 0.433 306 L N 4.954 126.199 121.223 0.037 0.000 2.361 306 L HA 0.147 4.486 4.340 -0.001 0.000 0.278 306 L C 0.142 177.028 176.870 0.027 0.000 1.113 306 L CA 0.580 55.443 54.840 0.037 0.000 0.849 306 L CB 1.287 43.363 42.059 0.030 0.000 1.155 306 L HN 0.731 nan 8.230 nan 0.000 0.452 307 V N 5.064 124.998 119.914 0.034 0.000 2.535 307 V HA 0.088 4.208 4.120 -0.001 0.000 0.246 307 V C 0.828 176.938 176.094 0.026 0.000 1.045 307 V CA 1.190 63.500 62.300 0.017 0.000 1.058 307 V CB -0.304 31.527 31.823 0.013 0.000 0.689 307 V HN 0.827 nan 8.190 nan 0.000 0.461 308 M N -0.444 119.182 119.600 0.043 0.000 2.433 308 M HA 0.406 4.885 4.480 -0.001 0.000 0.290 308 M C -1.183 175.134 176.300 0.027 0.000 1.173 308 M CA -0.512 54.812 55.300 0.039 0.000 0.905 308 M CB 2.337 34.972 32.600 0.059 0.000 1.692 308 M HN 0.016 nan 8.290 nan 0.000 0.462 309 E N 2.235 122.447 120.200 0.019 0.000 2.345 309 E HA 0.232 4.581 4.350 -0.001 0.000 0.259 309 E C 0.357 176.960 176.600 0.005 0.000 1.117 309 E CA -0.138 56.268 56.400 0.011 0.000 0.913 309 E CB 0.896 30.601 29.700 0.010 0.000 1.057 309 E HN 0.708 nan 8.360 nan 0.000 0.432 310 R N 0.987 121.486 120.500 -0.002 0.000 2.096 310 R HA -0.221 4.119 4.340 -0.001 0.000 0.240 310 R C 2.157 178.454 176.300 -0.004 0.000 1.139 310 R CA 1.940 58.033 56.100 -0.011 0.000 0.952 310 R CB -0.136 30.156 30.300 -0.013 0.000 0.854 310 R HN 0.641 nan 8.270 nan 0.000 0.436 311 E N 0.771 120.972 120.200 0.002 0.000 2.058 311 E HA -0.270 4.079 4.350 -0.001 0.000 0.194 311 E C 1.929 178.534 176.600 0.009 0.000 0.997 311 E CA 1.581 57.984 56.400 0.006 0.000 0.801 311 E CB 0.043 29.747 29.700 0.007 0.000 0.746 311 E HN 0.345 nan 8.360 nan 0.000 0.450 312 E N -0.052 120.154 120.200 0.011 0.000 2.106 312 E HA -0.167 4.183 4.350 -0.001 0.000 0.192 312 E C 2.250 178.861 176.600 0.018 0.000 0.984 312 E CA 0.745 57.155 56.400 0.016 0.000 0.806 312 E CB -0.006 29.706 29.700 0.020 0.000 0.750 312 E HN 0.318 nan 8.360 nan 0.000 0.458 313 L N 0.496 121.726 121.223 0.012 0.000 2.046 313 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 313 L C 2.426 179.298 176.870 0.003 0.000 1.077 313 L CA 0.932 55.775 54.840 0.004 0.000 0.747 313 L CB -0.285 41.760 42.059 -0.024 0.000 0.896 313 L HN 0.214 nan 8.230 nan 0.000 0.432 314 I N -0.696 119.876 120.570 0.003 0.000 2.252 314 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 314 I C 2.833 178.964 176.117 0.023 0.000 1.102 314 I CA 1.126 62.436 61.300 0.017 0.000 1.385 314 I CB -0.310 37.700 38.000 0.016 0.000 1.064 314 I HN 0.197 nan 8.210 nan 0.000 0.414 315 R N 1.394 121.905 120.500 0.018 0.000 2.083 315 R HA -0.178 4.161 4.340 -0.001 0.000 0.237 315 R C 2.310 178.620 176.300 0.017 0.000 1.137 315 R CA 1.757 57.867 56.100 0.016 0.000 0.951 315 R CB -0.267 30.042 30.300 0.015 0.000 0.851 315 R HN 0.306 nan 8.270 nan 0.000 0.434 316 I N 0.119 120.702 120.570 0.023 0.000 2.252 316 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 316 I C 2.149 178.283 176.117 0.027 0.000 1.102 316 I CA 1.449 62.765 61.300 0.026 0.000 1.385 316 I CB -0.452 37.570 38.000 0.038 0.000 1.064 316 I HN 0.224 nan 8.210 nan 0.000 0.414 317 T N 0.394 114.973 114.554 0.041 0.000 2.665 317 T HA -0.180 4.170 4.350 -0.001 0.000 0.268 317 T C 1.826 176.529 174.700 0.004 0.000 1.035 317 T CA 1.380 63.515 62.100 0.058 0.000 1.151 317 T CB -0.206 68.733 68.868 0.117 0.000 0.862 317 T HN 0.307 nan 8.240 nan 0.000 0.438 318 E N 0.921 121.126 120.200 0.008 0.000 2.106 318 E HA -0.079 4.271 4.350 -0.001 0.000 0.192 318 E C 2.174 178.758 176.600 -0.027 0.000 0.984 318 E CA 0.854 57.247 56.400 -0.011 0.000 0.806 318 E CB -0.261 29.442 29.700 0.005 0.000 0.750 318 E HN 0.508 nan 8.360 nan 0.000 0.458 319 K N 0.894 121.285 120.400 -0.015 0.000 2.026 319 K HA -0.121 4.198 4.320 -0.001 0.000 0.208 319 K C 2.116 178.696 176.600 -0.034 0.000 1.048 319 K CA 1.363 57.639 56.287 -0.018 0.000 0.929 319 K CB -0.096 32.400 32.500 -0.006 0.000 0.713 319 K HN 0.050 nan 8.250 nan 0.000 0.439 320 A N 1.548 124.343 122.820 -0.041 0.000 1.902 320 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 320 A C 2.068 179.578 177.584 -0.123 0.000 1.181 320 A CA 1.304 53.300 52.037 -0.068 0.000 0.623 320 A CB -0.455 18.511 19.000 -0.056 0.000 0.818 320 A HN 0.239 nan 8.150 nan 0.000 0.443 321 R N 0.524 120.925 120.500 -0.165 0.000 2.148 321 R HA -0.079 4.260 4.340 -0.001 0.000 0.227 321 R C 2.452 178.675 176.300 -0.128 0.000 1.103 321 R CA 1.492 57.455 56.100 -0.228 0.000 0.983 321 R CB -1.316 28.827 30.300 -0.263 0.000 0.874 321 R HN 0.739 nan 8.270 nan 0.000 0.451 322 S N 0.032 115.684 115.700 -0.079 0.000 2.474 322 S HA -0.029 4.440 4.470 -0.001 0.000 0.235 322 S C 1.649 176.224 174.600 -0.041 0.000 0.997 322 S CA 0.718 58.889 58.200 -0.048 0.000 0.949 322 S CB -0.146 63.036 63.200 -0.030 0.000 0.766 322 S HN 0.276 nan 8.310 nan 0.000 0.517 323 L N 0.590 121.783 121.223 -0.051 0.000 2.808 323 L HA 0.421 4.760 4.340 -0.001 0.000 0.246 323 L C 1.555 178.401 176.870 -0.040 0.000 1.153 323 L CA 0.149 54.969 54.840 -0.034 0.000 0.956 323 L CB -0.016 42.027 42.059 -0.026 0.000 1.270 323 L HN 0.485 nan 8.230 nan 0.000 0.528 324 G N 1.007 109.765 108.800 -0.070 0.000 2.179 324 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.257 324 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.257 324 G C 0.157 175.006 174.900 -0.085 0.000 1.010 324 G CA 0.167 45.222 45.100 -0.074 0.000 0.736 324 G HN 0.259 nan 8.290 nan 0.000 0.513 325 L N 0.074 121.229 121.223 -0.113 0.000 2.375 325 L HA 0.457 4.796 4.340 -0.001 0.000 0.271 325 L C 0.803 177.589 176.870 -0.139 0.000 1.107 325 L CA -0.941 53.834 54.840 -0.109 0.000 0.806 325 L CB 0.807 42.809 42.059 -0.096 0.000 1.146 325 L HN 0.124 nan 8.230 nan 0.000 0.447 326 D N 1.004 121.368 120.400 -0.061 0.000 2.360 326 D HA 0.302 4.942 4.640 -0.001 0.000 0.242 326 D C -0.990 175.426 176.300 0.193 0.000 1.184 326 D CA -0.003 54.073 54.000 0.128 0.000 0.930 326 D CB 1.343 42.271 40.800 0.214 0.000 1.161 326 D HN 0.053 nan 8.370 nan 0.000 0.447 327 V N 1.441 121.614 119.914 0.432 0.000 2.482 327 V HA 0.655 4.775 4.120 -0.001 0.000 0.295 327 V C -0.246 176.147 176.094 0.498 0.000 1.026 327 V CA -0.956 61.609 62.300 0.442 0.000 0.856 327 V CB 1.229 33.349 31.823 0.494 0.000 1.001 327 V HN 0.697 nan 8.190 nan 0.000 0.424 328 A N 6.497 129.541 122.820 0.373 0.000 2.303 328 A HA 0.915 5.234 4.320 -0.001 0.000 0.320 328 A C -0.710 176.961 177.584 0.145 0.000 1.192 328 A CA -0.475 51.687 52.037 0.208 0.000 0.821 328 A CB 0.677 19.632 19.000 -0.076 0.000 1.188 328 A HN 0.782 nan 8.150 nan 0.000 0.492 329 I N 2.436 123.106 120.570 0.166 0.000 2.389 329 I HA 0.187 4.356 4.170 -0.001 0.000 0.288 329 I C 0.029 176.185 176.117 0.064 0.000 0.999 329 I CA -0.571 60.758 61.300 0.050 0.000 1.129 329 I CB 1.634 39.605 38.000 -0.048 0.000 1.288 329 I HN 0.920 nan 8.210 nan 0.000 0.444 330 H N 6.394 125.395 119.070 -0.114 0.000 2.975 330 H HA 0.452 5.007 4.556 -0.001 0.000 0.303 330 H C -0.486 174.856 175.328 0.023 0.000 1.023 330 H CA -0.175 55.864 56.048 -0.016 0.000 1.473 330 H CB 0.650 30.351 29.762 -0.102 0.000 1.498 330 H HN 0.753 nan 8.280 nan 0.000 0.549 331 A N 6.490 129.268 122.820 -0.070 0.000 2.446 331 A HA 0.294 4.613 4.320 -0.001 0.000 0.282 331 A C -0.045 177.450 177.584 -0.148 0.000 1.102 331 A CA -0.652 51.368 52.037 -0.028 0.000 0.737 331 A CB 0.487 19.487 19.000 0.000 0.000 1.212 331 A HN 0.839 nan 8.150 nan 0.000 0.434 332 I N 1.940 122.417 120.570 -0.154 0.000 2.685 332 I HA 0.132 4.302 4.170 -0.001 0.000 0.251 332 I C 1.816 177.910 176.117 -0.039 0.000 1.102 332 I CA 0.614 61.834 61.300 -0.134 0.000 1.442 332 I CB -0.113 37.799 38.000 -0.146 0.000 1.194 332 I HN 0.664 nan 8.210 nan 0.000 0.448 333 G N 1.303 110.107 108.800 0.008 0.000 2.606 333 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.252 333 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.252 333 G C 0.654 175.539 174.900 -0.026 0.000 1.206 333 G CA 0.033 45.135 45.100 0.002 0.000 0.861 333 G HN 0.444 nan 8.290 nan 0.000 0.561 334 D N 0.124 120.503 120.400 -0.036 0.000 2.183 334 D HA -0.137 4.502 4.640 -0.001 0.000 0.203 334 D C 1.747 177.987 176.300 -0.099 0.000 0.969 334 D CA 0.852 54.787 54.000 -0.108 0.000 0.842 334 D CB -0.024 40.654 40.800 -0.203 0.000 0.957 334 D HN 0.515 nan 8.370 nan 0.000 0.484 335 K N 0.748 121.116 120.400 -0.052 0.000 2.103 335 K HA 0.017 4.336 4.320 -0.001 0.000 0.204 335 K C 2.264 178.848 176.600 -0.026 0.000 1.052 335 K CA 0.934 57.198 56.287 -0.039 0.000 0.945 335 K CB -0.080 32.412 32.500 -0.014 0.000 0.722 335 K HN 0.096 nan 8.250 nan 0.000 0.443 336 A N 1.303 124.119 122.820 -0.007 0.000 1.940 336 A HA -0.168 4.152 4.320 -0.001 0.000 0.219 336 A C 1.998 179.573 177.584 -0.015 0.000 1.176 336 A CA 1.286 53.329 52.037 0.010 0.000 0.631 336 A CB -0.568 18.461 19.000 0.048 0.000 0.814 336 A HN 0.378 nan 8.150 nan 0.000 0.446 337 L N 0.137 121.339 121.223 -0.036 0.000 2.046 337 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 337 L C 1.675 178.511 176.870 -0.056 0.000 1.077 337 L CA 2.408 57.219 54.840 -0.048 0.000 0.747 337 L CB -0.684 41.333 42.059 -0.069 0.000 0.896 337 L HN 0.345 nan 8.230 nan 0.000 0.432 338 D N -0.706 119.656 120.400 -0.064 0.000 2.104 338 D HA -0.187 4.453 4.640 -0.001 0.000 0.194 338 D C 2.307 178.576 176.300 -0.051 0.000 0.994 338 D CA 1.825 55.790 54.000 -0.058 0.000 0.830 338 D CB -0.295 40.470 40.800 -0.058 0.000 0.959 338 D HN 0.297 nan 8.370 nan 0.000 0.452 339 V N 1.586 121.472 119.914 -0.048 0.000 2.295 339 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 339 V C 2.590 178.625 176.094 -0.100 0.000 1.049 339 V CA 1.896 64.164 62.300 -0.053 0.000 1.024 339 V CB -0.857 30.947 31.823 -0.031 0.000 0.648 339 V HN 0.187 nan 8.190 nan 0.000 0.447 340 A N -0.256 122.493 122.820 -0.118 0.000 1.902 340 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 340 A C 2.210 179.630 177.584 -0.274 0.000 1.181 340 A CA 1.857 53.750 52.037 -0.241 0.000 0.623 340 A CB -0.565 18.339 19.000 -0.160 0.000 0.818 340 A HN 0.513 nan 8.150 nan 0.000 0.443 341 L N -0.635 120.534 121.223 -0.091 0.000 2.141 341 L HA -0.166 4.173 4.340 -0.001 0.000 0.209 341 L C 2.000 178.868 176.870 -0.004 0.000 1.094 341 L CA 1.179 56.022 54.840 0.004 0.000 0.763 341 L CB -0.649 41.419 42.059 0.014 0.000 0.908 341 L HN 0.281 nan 8.230 nan 0.000 0.437 342 D N -0.162 120.212 120.400 -0.043 0.000 2.117 342 D HA -0.153 4.486 4.640 -0.001 0.000 0.197 342 D C 2.333 178.615 176.300 -0.029 0.000 0.987 342 D CA 1.114 55.098 54.000 -0.027 0.000 0.829 342 D CB -0.188 40.592 40.800 -0.033 0.000 0.961 342 D HN 0.073 nan 8.370 nan 0.000 0.460 343 V N 0.733 120.581 119.914 -0.110 0.000 2.295 343 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 343 V C 2.185 178.284 176.094 0.008 0.000 1.049 343 V CA 1.306 63.531 62.300 -0.126 0.000 1.024 343 V CB -0.557 31.091 31.823 -0.293 0.000 0.648 343 V HN 0.064 nan 8.190 nan 0.000 0.447 344 F N 0.394 120.376 119.950 0.053 0.000 2.234 344 F HA -0.072 4.455 4.527 -0.001 0.000 0.299 344 F C 2.467 178.291 175.800 0.039 0.000 1.087 344 F CA 1.249 59.283 58.000 0.056 0.000 1.340 344 F CB -0.751 38.250 39.000 0.002 0.000 1.031 344 F HN 0.259 nan 8.300 nan 0.000 0.500 345 E N -0.376 119.935 120.200 0.185 0.000 2.047 345 E HA -0.211 4.138 4.350 -0.001 0.000 0.191 345 E C 2.202 178.860 176.600 0.095 0.000 0.987 345 E CA 1.673 58.138 56.400 0.108 0.000 0.799 345 E CB -0.230 29.507 29.700 0.062 0.000 0.752 345 E HN 0.271 nan 8.360 nan 0.000 0.449 346 T N -0.482 114.123 114.554 0.085 0.000 2.951 346 T HA -0.081 4.268 4.350 -0.001 0.000 0.268 346 T C 1.828 176.581 174.700 0.089 0.000 1.073 346 T CA 1.927 64.068 62.100 0.068 0.000 1.134 346 T CB -0.285 68.609 68.868 0.044 0.000 0.884 346 T HN 0.384 nan 8.240 nan 0.000 0.479 347 T N -1.918 112.718 114.554 0.136 0.000 3.088 347 T HA 0.308 4.658 4.350 -0.001 0.000 0.259 347 T C 1.757 176.559 174.700 0.171 0.000 1.122 347 T CA 0.843 63.036 62.100 0.155 0.000 1.095 347 T CB -0.432 68.564 68.868 0.214 0.000 0.930 347 T HN 0.561 nan 8.240 nan 0.000 0.508 348 G N 1.383 110.281 108.800 0.163 0.000 2.225 348 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.267 348 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.267 348 G C -0.233 174.778 174.900 0.184 0.000 1.024 348 G CA 0.254 45.436 45.100 0.135 0.000 0.784 348 G HN 0.708 nan 8.290 nan 0.000 0.507 349 F N 2.068 122.051 119.950 0.055 0.000 2.426 349 F HA 0.635 5.161 4.527 -0.001 0.000 0.348 349 F C -2.117 173.586 175.800 -0.162 0.000 1.124 349 F CA -3.427 54.562 58.000 -0.019 0.000 1.008 349 F CB 1.961 40.975 39.000 0.022 0.000 1.139 349 F HN -0.058 nan 8.300 nan 0.000 0.452 350 P HA 0.201 nan 4.420 nan 0.000 0.252 350 P C 0.187 176.546 177.300 -1.569 0.000 1.727 350 P CA 0.194 62.736 63.100 -0.930 0.000 1.134 350 P CB 0.284 31.664 31.700 -0.532 0.000 1.876 351 G N 3.556 111.150 108.800 -2.010 0.000 2.508 351 G HA2 0.446 4.405 3.960 -0.001 0.000 0.278 351 G HA3 0.446 4.405 3.960 -0.001 0.000 0.278 351 G C -0.237 174.117 174.900 -0.910 0.000 1.389 351 G CA -0.824 43.247 45.100 -1.715 0.000 1.050 351 G HN 0.505 nan 8.290 nan 0.000 0.522 352 R N -1.260 119.041 120.500 -0.332 0.000 2.711 352 R HA 0.641 4.980 4.340 -0.001 0.000 0.284 352 R C -1.015 175.374 176.300 0.148 0.000 0.968 352 R CA -0.842 55.202 56.100 -0.093 0.000 0.924 352 R CB 1.778 32.030 30.300 -0.082 0.000 1.162 352 R HN 0.228 nan 8.270 nan 0.000 0.465 353 I N 2.226 122.852 120.570 0.095 0.000 2.404 353 I HA 0.288 4.457 4.170 -0.001 0.000 0.293 353 I C -0.191 175.938 176.117 0.019 0.000 0.992 353 I CA -0.969 60.399 61.300 0.113 0.000 1.149 353 I CB 1.809 39.867 38.000 0.097 0.000 1.315 353 I HN 0.644 nan 8.210 nan 0.000 0.446 354 E N 5.848 126.064 120.200 0.025 0.000 2.216 354 E HA 0.360 4.710 4.350 -0.001 0.000 0.279 354 E C 0.374 176.960 176.600 -0.024 0.000 0.997 354 E CA -0.382 55.997 56.400 -0.035 0.000 0.817 354 E CB 1.382 31.142 29.700 0.101 0.000 1.096 354 E HN 0.603 nan 8.360 nan 0.000 0.393 355 H N 1.788 120.692 119.070 -0.276 0.000 4.762 355 H HA -0.306 4.249 4.556 -0.001 0.000 0.064 355 H C 0.562 175.830 175.328 -0.099 0.000 0.610 355 H CA 1.291 57.176 56.048 -0.272 0.000 0.934 355 H CB -1.115 28.426 29.762 -0.369 0.000 0.422 355 H HN 0.715 nan 8.280 nan 0.000 0.805 356 A N 0.730 123.577 122.820 0.044 0.000 2.640 356 A HA -0.231 4.089 4.320 -0.001 0.000 0.300 356 A C 1.558 179.164 177.584 0.037 0.000 1.499 356 A CA 1.622 53.675 52.037 0.027 0.000 0.759 356 A CB -1.793 17.229 19.000 0.036 0.000 1.048 356 A HN 0.609 nan 8.150 nan 0.000 0.450 357 S N -1.215 114.482 115.700 -0.004 0.000 2.406 357 S HA 0.136 4.605 4.470 -0.001 0.000 0.228 357 S C 0.772 175.211 174.600 -0.267 0.000 1.020 357 S CA 1.151 59.257 58.200 -0.157 0.000 0.965 357 S CB 0.022 63.123 63.200 -0.164 0.000 0.798 357 S HN 0.673 nan 8.310 nan 0.000 0.488 358 L N 2.163 123.315 121.223 -0.120 0.000 2.377 358 L HA 0.487 4.827 4.340 -0.001 0.000 0.270 358 L C -1.523 175.298 176.870 -0.081 0.000 0.991 358 L CA -0.410 54.408 54.840 -0.037 0.000 0.851 358 L CB 1.905 43.987 42.059 0.039 0.000 1.218 358 L HN -0.055 nan 8.230 nan 0.000 0.420 359 V N 4.080 123.929 119.914 -0.108 0.000 2.483 359 V HA 0.451 4.571 4.120 -0.001 0.000 0.297 359 V C 0.186 175.979 176.094 -0.501 0.000 1.027 359 V CA -0.761 61.394 62.300 -0.241 0.000 0.855 359 V CB 1.973 33.721 31.823 -0.125 0.000 0.995 359 V HN 0.697 nan 8.190 nan 0.000 0.424 360 R N 2.126 122.109 120.500 -0.861 0.000 2.615 360 R HA 0.216 4.555 4.340 -0.001 0.000 0.270 360 R C 0.443 176.450 176.300 -0.488 0.000 1.081 360 R CA -0.675 54.695 56.100 -1.217 0.000 1.154 360 R CB 0.698 30.302 30.300 -1.160 0.000 1.063 360 R HN 0.614 nan 8.270 nan 0.000 0.519 361 D N 1.492 121.731 120.400 -0.268 0.000 2.149 361 D HA -0.190 4.449 4.640 -0.001 0.000 0.198 361 D C 1.271 177.507 176.300 -0.106 0.000 0.990 361 D CA 1.954 55.897 54.000 -0.094 0.000 0.839 361 D CB -0.299 40.504 40.800 0.005 0.000 0.948 361 D HN 0.659 nan 8.370 nan 0.000 0.460 362 D N -0.043 120.276 120.400 -0.136 0.000 2.219 362 D HA -0.146 4.493 4.640 -0.001 0.000 0.205 362 D C 1.641 177.871 176.300 -0.116 0.000 0.970 362 D CA 0.766 54.702 54.000 -0.107 0.000 0.851 362 D CB -0.422 40.319 40.800 -0.099 0.000 0.943 362 D HN 0.182 nan 8.370 nan 0.000 0.488 363 Q N -0.213 119.487 119.800 -0.167 0.000 2.378 363 Q HA 0.102 4.442 4.340 -0.001 0.000 0.205 363 Q C 2.111 178.052 176.000 -0.099 0.000 0.954 363 Q CA 0.242 55.960 55.803 -0.142 0.000 0.901 363 Q CB 0.056 28.677 28.738 -0.195 0.000 0.981 363 Q HN 0.409 nan 8.270 nan 0.000 0.483 364 L N 0.348 121.515 121.223 -0.093 0.000 2.046 364 L HA -0.218 4.121 4.340 -0.001 0.000 0.208 364 L C 2.319 179.164 176.870 -0.042 0.000 1.077 364 L CA 1.161 55.967 54.840 -0.057 0.000 0.747 364 L CB -0.203 41.829 42.059 -0.045 0.000 0.896 364 L HN 0.186 nan 8.230 nan 0.000 0.432 365 E N 0.159 120.333 120.200 -0.042 0.000 2.152 365 E HA -0.200 4.149 4.350 -0.001 0.000 0.192 365 E C 2.232 178.814 176.600 -0.031 0.000 0.983 365 E CA 0.963 57.344 56.400 -0.032 0.000 0.818 365 E CB 0.025 29.708 29.700 -0.029 0.000 0.758 365 E HN 0.162 nan 8.360 nan 0.000 0.467 366 R N -0.540 119.938 120.500 -0.037 0.000 2.075 366 R HA -0.069 4.270 4.340 -0.001 0.000 0.232 366 R C 2.117 178.404 176.300 -0.023 0.000 1.126 366 R CA 1.266 57.348 56.100 -0.029 0.000 0.963 366 R CB -0.234 30.045 30.300 -0.034 0.000 0.858 366 R HN 0.109 nan 8.270 nan 0.000 0.435 367 V N 1.651 121.548 119.914 -0.028 0.000 2.282 367 V HA -0.319 3.800 4.120 -0.001 0.000 0.249 367 V C 2.445 178.520 176.094 -0.032 0.000 1.057 367 V CA 2.234 64.519 62.300 -0.024 0.000 1.032 367 V CB -0.531 31.276 31.823 -0.026 0.000 0.645 367 V HN 0.418 nan 8.190 nan 0.000 0.447 368 K N 0.005 120.387 120.400 -0.030 0.000 2.032 368 K HA -0.228 4.091 4.320 -0.001 0.000 0.209 368 K C 2.022 178.602 176.600 -0.033 0.000 1.048 368 K CA 1.965 58.233 56.287 -0.031 0.000 0.927 368 K CB -0.207 32.279 32.500 -0.024 0.000 0.712 368 K HN 0.441 nan 8.250 nan 0.000 0.441 369 N N 0.812 119.496 118.700 -0.028 0.000 2.188 369 N HA -0.122 4.617 4.740 -0.001 0.000 0.184 369 N C 1.656 177.148 175.510 -0.030 0.000 1.018 369 N CA 1.006 54.042 53.050 -0.025 0.000 0.858 369 N CB -0.087 38.390 38.487 -0.017 0.000 0.989 369 N HN 0.245 nan 8.380 nan 0.000 0.426 370 L N 0.513 121.718 121.223 -0.031 0.000 2.554 370 L HA 0.119 4.458 4.340 -0.001 0.000 0.226 370 L C 0.289 177.101 176.870 -0.096 0.000 1.137 370 L CA 0.179 54.994 54.840 -0.041 0.000 0.863 370 L CB -0.153 41.905 42.059 -0.002 0.000 0.985 370 L HN 0.072 nan 8.230 nan 0.000 0.451 371 K N -0.081 120.263 120.400 -0.093 0.000 3.129 371 K HA -0.150 4.169 4.320 -0.001 0.000 0.273 371 K C 0.080 176.567 176.600 -0.189 0.000 1.123 371 K CA 0.520 56.733 56.287 -0.124 0.000 0.800 371 K CB -2.144 30.282 32.500 -0.123 0.000 1.238 371 K HN 0.336 nan 8.250 nan 0.000 0.492 372 V N -1.552 118.256 119.914 -0.176 0.000 2.924 372 V HA 0.291 4.411 4.120 -0.001 0.000 0.305 372 V C 0.727 176.707 176.094 -0.191 0.000 1.073 372 V CA -0.502 61.654 62.300 -0.239 0.000 1.098 372 V CB 1.088 32.828 31.823 -0.140 0.000 1.000 372 V HN 0.207 nan 8.190 nan 0.000 0.484 373 R N 2.728 123.092 120.500 -0.226 0.000 2.486 373 R HA 0.767 5.107 4.340 -0.001 0.000 0.286 373 R C -0.910 175.315 176.300 -0.125 0.000 0.999 373 R CA -0.579 55.415 56.100 -0.177 0.000 0.993 373 R CB 1.338 31.514 30.300 -0.206 0.000 1.084 373 R HN 0.746 nan 8.270 nan 0.000 0.487 374 L N 0.913 122.070 121.223 -0.110 0.000 2.356 374 L HA 0.404 4.743 4.340 -0.001 0.000 0.277 374 L C -0.348 176.453 176.870 -0.115 0.000 0.996 374 L CA -0.633 54.158 54.840 -0.081 0.000 0.822 374 L CB 2.140 44.175 42.059 -0.039 0.000 1.256 374 L HN 0.510 nan 8.230 nan 0.000 0.413 375 S N 3.149 118.772 115.700 -0.128 0.000 2.474 375 S HA 0.706 5.176 4.470 -0.001 0.000 0.321 375 S C -0.490 173.966 174.600 -0.240 0.000 1.080 375 S CA -0.610 57.486 58.200 -0.173 0.000 1.106 375 S CB 0.900 64.006 63.200 -0.157 0.000 0.984 375 S HN 0.418 nan 8.310 nan 0.000 0.464 376 V N 3.317 123.074 119.914 -0.263 0.000 3.019 376 V HA 0.777 4.897 4.120 -0.001 0.000 0.317 376 V C -1.171 174.600 176.094 -0.537 0.000 1.094 376 V CA -0.979 61.104 62.300 -0.362 0.000 1.000 376 V CB 1.823 33.447 31.823 -0.331 0.000 1.060 376 V HN 0.694 nan 8.190 nan 0.000 0.443 377 Q N 2.272 121.728 119.800 -0.573 0.000 2.798 377 Q HA 0.452 4.792 4.340 -0.001 0.000 0.250 377 Q C -2.294 173.468 176.000 -0.397 0.000 1.006 377 Q CA -1.608 53.894 55.803 -0.500 0.000 0.759 377 Q CB 1.568 30.015 28.738 -0.485 0.000 1.201 377 Q HN 0.558 nan 8.270 nan 0.000 0.486 378 P HA -0.238 nan 4.420 nan 0.000 0.217 378 P C 0.815 178.025 177.300 -0.151 0.000 1.148 378 P CA 1.144 64.013 63.100 -0.385 0.000 0.828 378 P CB 0.236 31.496 31.700 -0.733 0.000 0.783 379 H N -1.786 117.188 119.070 -0.160 0.000 2.521 379 H HA -0.052 4.504 4.556 -0.001 0.000 0.286 379 H C 1.489 176.780 175.328 -0.061 0.000 1.034 379 H CA 0.763 56.761 56.048 -0.084 0.000 1.278 379 H CB -0.337 29.379 29.762 -0.076 0.000 1.386 379 H HN 0.083 nan 8.280 nan 0.000 0.567 380 F N 0.620 120.417 119.950 -0.254 0.000 2.202 380 F HA -0.176 4.351 4.527 -0.001 0.000 0.301 380 F C 2.515 178.099 175.800 -0.360 0.000 1.082 380 F CA 0.707 58.534 58.000 -0.289 0.000 1.313 380 F CB -0.514 38.284 39.000 -0.336 0.000 1.024 380 F HN 0.143 nan 8.300 nan 0.000 0.495 381 I N -0.334 120.076 120.570 -0.267 0.000 2.194 381 I HA -0.351 3.819 4.170 -0.001 0.000 0.246 381 I C 2.208 178.221 176.117 -0.172 0.000 1.093 381 I CA 0.974 62.178 61.300 -0.160 0.000 1.355 381 I CB -0.405 37.527 38.000 -0.114 0.000 1.046 381 I HN 0.053 nan 8.210 nan 0.000 0.413 382 I N 0.340 120.728 120.570 -0.303 0.000 2.233 382 I HA -0.188 3.981 4.170 -0.001 0.000 0.243 382 I C 2.832 178.813 176.117 -0.226 0.000 1.093 382 I CA 1.847 62.952 61.300 -0.326 0.000 1.380 382 I CB -1.596 36.005 38.000 -0.666 0.000 1.067 382 I HN 0.324 nan 8.210 nan 0.000 0.413 383 S N 0.339 115.878 115.700 -0.267 0.000 2.395 383 S HA -0.077 4.392 4.470 -0.001 0.000 0.225 383 S C 0.801 175.229 174.600 -0.286 0.000 1.027 383 S CA 0.537 58.635 58.200 -0.169 0.000 0.965 383 S CB -0.490 62.592 63.200 -0.198 0.000 0.812 383 S HN 0.298 nan 8.310 nan 0.000 0.482 384 D N 2.663 122.766 120.400 -0.495 0.000 2.713 384 D HA 0.148 4.787 4.640 -0.001 0.000 0.229 384 D C 1.009 176.620 176.300 -1.149 0.000 1.136 384 D CA -0.378 52.895 54.000 -1.212 0.000 1.010 384 D CB -0.531 39.705 40.800 -0.941 0.000 1.084 384 D HN 0.679 nan 8.370 nan 0.000 0.495 385 W N 0.686 121.487 121.300 -0.832 0.000 2.421 385 W HA -0.098 4.561 4.660 -0.001 0.000 0.270 385 W C 0.780 177.122 176.519 -0.296 0.000 1.233 385 W CA -0.001 57.095 57.345 -0.415 0.000 1.226 385 W CB -0.949 28.396 29.460 -0.192 0.000 1.121 385 W HN 0.367 nan 8.180 nan 0.000 0.579 386 W N 0.535 121.574 121.300 -0.435 0.000 3.345 386 W HA 0.226 4.886 4.660 -0.001 0.000 0.282 386 W C 1.641 178.085 176.519 -0.125 0.000 1.302 386 W CA -0.488 56.627 57.345 -0.382 0.000 1.724 386 W CB -1.452 27.473 29.460 -0.893 0.000 1.104 386 W HN -0.086 nan 8.180 nan 0.000 0.694 387 I N 1.589 122.153 120.570 -0.009 0.000 2.226 387 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 387 I C 2.174 178.365 176.117 0.123 0.000 1.100 387 I CA 1.443 62.822 61.300 0.131 0.000 1.374 387 I CB -0.022 37.948 38.000 -0.050 0.000 1.057 387 I HN -0.218 nan 8.210 nan 0.000 0.413 388 V N 0.457 120.417 119.914 0.077 0.000 2.626 388 V HA -0.212 3.908 4.120 -0.001 0.000 0.252 388 V C 2.251 178.390 176.094 0.074 0.000 1.067 388 V CA 1.566 63.895 62.300 0.047 0.000 1.081 388 V CB -0.757 31.085 31.823 0.031 0.000 0.686 388 V HN 0.393 nan 8.190 nan 0.000 0.468 389 E N 0.084 120.364 120.200 0.134 0.000 2.072 389 E HA -0.123 4.226 4.350 -0.001 0.000 0.191 389 E C 2.461 179.142 176.600 0.134 0.000 0.985 389 E CA 0.777 57.257 56.400 0.133 0.000 0.801 389 E CB -0.239 29.564 29.700 0.172 0.000 0.750 389 E HN 0.357 nan 8.360 nan 0.000 0.452 390 R N 0.000 120.614 120.500 0.189 0.000 2.073 390 R HA -0.073 4.266 4.340 -0.001 0.000 0.234 390 R C 2.354 178.735 176.300 0.135 0.000 1.134 390 R CA 1.698 57.949 56.100 0.252 0.000 0.952 390 R CB -0.941 29.569 30.300 0.351 0.000 0.850 390 R HN 0.368 nan 8.270 nan 0.000 0.433 391 V N -3.496 116.438 119.914 0.034 0.000 3.661 391 V HA 0.410 4.530 4.120 -0.001 0.000 0.271 391 V C 0.848 176.867 176.094 -0.125 0.000 1.315 391 V CA 0.484 62.730 62.300 -0.092 0.000 1.072 391 V CB -0.125 31.625 31.823 -0.121 0.000 0.830 391 V HN 0.444 nan 8.190 nan 0.000 0.443 392 G N 1.230 109.988 108.800 -0.069 0.000 2.814 392 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.677 392 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.677 392 G C 0.180 175.001 174.900 -0.132 0.000 1.429 392 G CA 0.451 45.500 45.100 -0.085 0.000 0.868 392 G HN 0.678 nan 8.290 nan 0.000 0.553 393 E N -0.053 120.079 120.200 -0.113 0.000 2.110 393 E HA -0.072 4.277 4.350 -0.001 0.000 0.193 393 E C 2.206 178.692 176.600 -0.191 0.000 0.988 393 E CA 2.128 58.454 56.400 -0.124 0.000 0.804 393 E CB -0.045 29.604 29.700 -0.085 0.000 0.745 393 E HN 0.502 nan 8.360 nan 0.000 0.458 394 E N 0.072 120.141 120.200 -0.218 0.000 2.338 394 E HA -0.084 4.266 4.350 -0.001 0.000 0.197 394 E C 1.410 177.688 176.600 -0.536 0.000 1.007 394 E CA 0.655 56.882 56.400 -0.289 0.000 0.849 394 E CB -0.021 29.541 29.700 -0.230 0.000 0.774 394 E HN 0.315 nan 8.360 nan 0.000 0.506 395 R N -0.368 119.764 120.500 -0.613 0.000 2.437 395 R HA 0.174 4.514 4.340 -0.001 0.000 0.257 395 R C 1.970 177.902 176.300 -0.613 0.000 0.927 395 R CA -0.084 55.399 56.100 -1.029 0.000 1.078 395 R CB 0.486 30.232 30.300 -0.923 0.000 1.161 395 R HN -0.081 nan 8.270 nan 0.000 0.529 396 V N 2.814 122.510 119.914 -0.364 0.000 2.380 396 V HA -0.342 3.778 4.120 -0.001 0.000 0.251 396 V C 2.277 178.276 176.094 -0.159 0.000 1.063 396 V CA 2.244 64.419 62.300 -0.209 0.000 1.055 396 V CB -0.369 31.364 31.823 -0.151 0.000 0.657 396 V HN 0.426 nan 8.190 nan 0.000 0.455 397 K N -1.331 118.965 120.400 -0.173 0.000 2.362 397 K HA -0.191 4.128 4.320 -0.001 0.000 0.200 397 K C 1.636 178.313 176.600 0.128 0.000 1.046 397 K CA 1.578 57.845 56.287 -0.034 0.000 0.952 397 K CB -0.317 32.181 32.500 -0.004 0.000 0.753 397 K HN 0.497 nan 8.250 nan 0.000 0.466 398 W N 1.831 123.066 121.300 -0.108 0.000 3.003 398 W HA 0.175 4.834 4.660 -0.001 0.000 0.257 398 W C 0.088 176.499 176.519 -0.179 0.000 1.308 398 W CA -0.869 56.402 57.345 -0.123 0.000 1.529 398 W CB -0.406 28.984 29.460 -0.117 0.000 1.115 398 W HN -0.235 nan 8.180 nan 0.000 0.659 399 V N 2.051 121.957 119.914 -0.015 0.000 2.455 399 V HA -0.033 4.087 4.120 -0.001 0.000 0.273 399 V C -0.067 175.874 176.094 -0.255 0.000 1.045 399 V CA -0.776 61.392 62.300 -0.221 0.000 0.976 399 V CB -0.714 30.979 31.823 -0.216 0.000 0.993 399 V HN 0.123 nan 8.190 nan 0.000 0.475 400 Y N 3.427 123.583 120.300 -0.241 0.000 3.001 400 Y HA -0.245 4.305 4.550 -0.001 0.000 0.207 400 Y C 1.386 176.719 175.900 -0.945 0.000 1.231 400 Y CA 0.861 58.571 58.100 -0.651 0.000 1.024 400 Y CB -1.338 36.686 38.460 -0.726 0.000 1.267 400 Y HN 0.813 nan 8.280 nan 0.000 0.501 401 R N -0.662 119.654 120.500 -0.307 0.000 4.138 401 R HA 0.298 4.637 4.340 -0.001 0.000 0.206 401 R C 0.601 176.893 176.300 -0.014 0.000 1.667 401 R CA -0.202 55.799 56.100 -0.164 0.000 1.481 401 R CB -0.976 29.300 30.300 -0.040 0.000 1.388 401 R HN 0.435 nan 8.270 nan 0.000 0.776 402 F N 0.961 120.962 119.950 0.086 0.000 2.171 402 F HA -0.147 4.380 4.527 -0.001 0.000 0.300 402 F C 2.551 178.402 175.800 0.085 0.000 1.090 402 F CA 0.799 58.854 58.000 0.093 0.000 1.293 402 F CB -0.070 38.996 39.000 0.110 0.000 1.013 402 F HN 0.288 nan 8.300 nan 0.000 0.486 403 K N 0.725 121.265 120.400 0.233 0.000 2.026 403 K HA -0.188 4.131 4.320 -0.001 0.000 0.208 403 K C 1.574 178.235 176.600 0.102 0.000 1.048 403 K CA 1.909 58.285 56.287 0.148 0.000 0.929 403 K CB -0.154 32.409 32.500 0.105 0.000 0.713 403 K HN 0.080 nan 8.250 nan 0.000 0.439 404 D N 0.914 121.362 120.400 0.080 0.000 2.123 404 D HA -0.177 4.462 4.640 -0.001 0.000 0.196 404 D C 1.989 178.325 176.300 0.059 0.000 0.992 404 D CA 1.115 55.148 54.000 0.054 0.000 0.833 404 D CB -0.172 40.649 40.800 0.035 0.000 0.954 404 D HN 0.253 nan 8.370 nan 0.000 0.455 405 L N 0.117 121.396 121.223 0.093 0.000 2.093 405 L HA -0.046 4.293 4.340 -0.001 0.000 0.208 405 L C 2.564 179.476 176.870 0.069 0.000 1.085 405 L CA 0.558 55.449 54.840 0.085 0.000 0.755 405 L CB -0.286 41.856 42.059 0.138 0.000 0.904 405 L HN 0.020 nan 8.230 nan 0.000 0.435 406 M N -0.116 119.538 119.600 0.090 0.000 2.279 406 M HA -0.235 4.245 4.480 -0.001 0.000 0.264 406 M C 2.191 178.512 176.300 0.035 0.000 1.062 406 M CA 1.597 56.933 55.300 0.060 0.000 1.099 406 M CB 0.024 32.669 32.600 0.075 0.000 1.394 406 M HN 0.085 nan 8.290 nan 0.000 0.426 407 K N -0.471 119.950 120.400 0.034 0.000 2.217 407 K HA -0.087 4.232 4.320 -0.001 0.000 0.202 407 K C 1.461 178.066 176.600 0.008 0.000 1.051 407 K CA 1.357 57.655 56.287 0.018 0.000 0.952 407 K CB 0.190 32.702 32.500 0.019 0.000 0.736 407 K HN 0.463 nan 8.250 nan 0.000 0.453 408 V N -3.904 116.014 119.914 0.007 0.000 3.661 408 V HA 0.479 4.598 4.120 -0.001 0.000 0.271 408 V C 0.181 176.265 176.094 -0.017 0.000 1.315 408 V CA 0.008 62.304 62.300 -0.006 0.000 1.072 408 V CB 0.457 32.274 31.823 -0.010 0.000 0.830 408 V HN 0.106 nan 8.190 nan 0.000 0.443 409 A N 0.030 122.841 122.820 -0.014 0.000 2.587 409 A HA 0.718 5.038 4.320 -0.001 0.000 0.293 409 A C -0.843 176.719 177.584 -0.036 0.000 1.087 409 A CA -0.616 51.401 52.037 -0.035 0.000 0.692 409 A CB 1.510 20.485 19.000 -0.042 0.000 1.291 409 A HN 0.246 nan 8.150 nan 0.000 0.407 410 E N -0.074 120.087 120.200 -0.064 0.000 2.417 410 E HA 0.342 4.691 4.350 -0.001 0.000 0.261 410 E C -1.106 175.429 176.600 -0.108 0.000 1.000 410 E CA 0.335 56.684 56.400 -0.086 0.000 0.919 410 E CB 0.390 30.011 29.700 -0.133 0.000 0.955 410 E HN 0.537 nan 8.360 nan 0.000 0.455 411 L N 4.392 125.546 121.223 -0.115 0.000 2.356 411 L HA 0.708 5.047 4.340 -0.001 0.000 0.277 411 L C -0.249 176.485 176.870 -0.227 0.000 0.996 411 L CA -0.205 54.559 54.840 -0.126 0.000 0.822 411 L CB 1.898 43.920 42.059 -0.062 0.000 1.256 411 L HN 0.542 nan 8.230 nan 0.000 0.413 412 G N 3.200 111.872 108.800 -0.213 0.000 2.453 412 G HA2 0.580 4.539 3.960 -0.001 0.000 0.323 412 G HA3 0.580 4.539 3.960 -0.001 0.000 0.323 412 G C -1.362 173.473 174.900 -0.108 0.000 1.198 412 G CA -0.365 44.579 45.100 -0.259 0.000 0.959 412 G HN 0.273 nan 8.290 nan 0.000 0.482 413 F N 0.836 120.524 119.950 -0.438 0.000 2.425 413 F HA 0.771 5.297 4.527 -0.001 0.000 0.331 413 F C 0.902 176.346 175.800 -0.594 0.000 1.085 413 F CA -1.510 56.089 58.000 -0.669 0.000 1.028 413 F CB 1.940 40.288 39.000 -1.088 0.000 1.177 413 F HN 0.603 nan 8.300 nan 0.000 0.487 414 S N -1.102 114.379 115.700 -0.366 0.000 2.643 414 S HA 0.513 4.982 4.470 -0.001 0.000 0.270 414 S C -0.077 174.412 174.600 -0.185 0.000 1.166 414 S CA -0.107 57.978 58.200 -0.191 0.000 0.815 414 S CB 1.842 64.981 63.200 -0.102 0.000 1.139 414 S HN 0.580 nan 8.310 nan 0.000 0.472 415 T N -3.240 111.293 114.554 -0.036 0.000 2.971 415 T HA 0.266 4.616 4.350 -0.001 0.000 0.252 415 T C 0.329 175.096 174.700 0.112 0.000 1.022 415 T CA 0.862 62.971 62.100 0.016 0.000 0.980 415 T CB -0.543 68.335 68.868 0.016 0.000 1.044 415 T HN 0.860 nan 8.240 nan 0.000 0.501 416 D N 1.586 122.058 120.400 0.119 0.000 2.811 416 D HA -0.172 4.467 4.640 -0.001 0.000 0.231 416 D C 0.033 176.481 176.300 0.246 0.000 1.157 416 D CA 0.759 54.915 54.000 0.261 0.000 0.716 416 D CB -1.720 39.267 40.800 0.312 0.000 1.077 416 D HN 0.601 nan 8.370 nan 0.000 0.428 417 S N 0.014 115.792 115.700 0.131 0.000 2.558 417 S HA 0.189 4.659 4.470 -0.001 0.000 0.293 417 S C -1.418 173.230 174.600 0.079 0.000 1.292 417 S CA -0.290 57.941 58.200 0.053 0.000 1.063 417 S CB 1.113 64.320 63.200 0.011 0.000 0.831 417 S HN 0.174 nan 8.310 nan 0.000 0.499 418 P HA 0.209 nan 4.420 nan 0.000 0.258 418 P C 0.874 178.067 177.300 -0.177 0.000 1.416 418 P CA -0.087 62.924 63.100 -0.149 0.000 0.927 418 P CB -0.021 31.522 31.700 -0.262 0.000 1.444 419 I N -0.364 120.143 120.570 -0.104 0.000 2.252 419 I HA -0.111 4.058 4.170 -0.001 0.000 0.245 419 I C 1.330 177.365 176.117 -0.136 0.000 1.102 419 I CA 1.499 62.720 61.300 -0.131 0.000 1.385 419 I CB -0.258 37.737 38.000 -0.008 0.000 1.064 419 I HN -0.039 nan 8.210 nan 0.000 0.414 420 E N 0.622 120.771 120.200 -0.084 0.000 2.249 420 E HA 0.377 4.727 4.350 -0.001 0.000 0.263 420 E C -2.326 174.197 176.600 -0.128 0.000 0.950 420 E CA -2.431 53.908 56.400 -0.103 0.000 0.827 420 E CB 0.272 29.942 29.700 -0.049 0.000 1.220 420 E HN -0.140 nan 8.360 nan 0.000 0.411 421 P HA -0.012 nan 4.420 nan 0.000 0.266 421 P C -0.054 177.161 177.300 -0.141 0.000 1.195 421 P CA 0.241 63.237 63.100 -0.172 0.000 0.768 421 P CB 0.601 32.155 31.700 -0.244 0.000 0.838 422 A N 2.085 124.878 122.820 -0.044 0.000 2.119 422 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 422 A C 0.998 178.512 177.584 -0.116 0.000 1.152 422 A CA 0.515 52.533 52.037 -0.031 0.000 0.708 422 A CB -0.753 18.292 19.000 0.074 0.000 0.805 422 A HN 0.513 nan 8.150 nan 0.000 0.460 423 D N 0.770 121.087 120.400 -0.139 0.000 2.426 423 D HA 0.048 4.687 4.640 -0.001 0.000 0.261 423 D C -1.253 174.874 176.300 -0.289 0.000 1.245 423 D CA -1.677 52.205 54.000 -0.197 0.000 0.917 423 D CB 0.973 41.707 40.800 -0.110 0.000 1.123 423 D HN 0.151 nan 8.370 nan 0.000 0.508 424 P HA -0.115 nan 4.420 nan 0.000 0.220 424 P C 1.269 178.114 177.300 -0.758 0.000 1.148 424 P CA 0.984 63.514 63.100 -0.950 0.000 0.803 424 P CB -0.045 30.253 31.700 -2.337 0.000 0.782 425 W N 0.041 121.070 121.300 -0.452 0.000 2.402 425 W HA 0.008 4.667 4.660 -0.001 0.000 0.286 425 W C 2.408 178.879 176.519 -0.081 0.000 1.221 425 W CA 0.113 57.316 57.345 -0.238 0.000 1.257 425 W CB -0.941 28.393 29.460 -0.210 0.000 1.120 425 W HN -0.166 nan 8.180 nan 0.000 0.551 426 L N -0.631 120.649 121.223 0.095 0.000 2.141 426 L HA -0.174 4.166 4.340 -0.001 0.000 0.209 426 L C 2.233 179.190 176.870 0.145 0.000 1.094 426 L CA 1.246 56.144 54.840 0.096 0.000 0.763 426 L CB -1.120 40.917 42.059 -0.035 0.000 0.908 426 L HN -0.065 nan 8.230 nan 0.000 0.437 427 T N -0.772 113.820 114.554 0.063 0.000 2.896 427 T HA -0.068 4.281 4.350 -0.001 0.000 0.263 427 T C 2.043 176.762 174.700 0.032 0.000 1.050 427 T CA 0.718 62.842 62.100 0.039 0.000 1.140 427 T CB 0.086 68.942 68.868 -0.021 0.000 0.877 427 T HN 0.018 nan 8.240 nan 0.000 0.457 428 V N 1.907 121.914 119.914 0.155 0.000 2.287 428 V HA -0.204 3.915 4.120 -0.001 0.000 0.248 428 V C 2.372 178.580 176.094 0.189 0.000 1.053 428 V CA 2.044 64.482 62.300 0.230 0.000 1.027 428 V CB -0.581 31.404 31.823 0.270 0.000 0.646 428 V HN 0.459 nan 8.190 nan 0.000 0.447 429 D N -0.026 120.487 120.400 0.189 0.000 2.123 429 D HA -0.149 4.490 4.640 -0.001 0.000 0.196 429 D C 2.120 178.476 176.300 0.092 0.000 0.992 429 D CA 1.498 55.587 54.000 0.148 0.000 0.833 429 D CB -0.174 40.713 40.800 0.145 0.000 0.954 429 D HN 0.387 nan 8.370 nan 0.000 0.455 430 A N 0.342 123.205 122.820 0.071 0.000 1.902 430 A HA -0.004 4.316 4.320 -0.001 0.000 0.217 430 A C 2.335 179.939 177.584 0.034 0.000 1.181 430 A CA 2.234 54.281 52.037 0.015 0.000 0.623 430 A CB -0.978 18.006 19.000 -0.027 0.000 0.818 430 A HN 0.308 nan 8.150 nan 0.000 0.443 431 A N -0.852 121.973 122.820 0.008 0.000 1.929 431 A HA 0.097 4.417 4.320 -0.001 0.000 0.216 431 A C 2.198 179.882 177.584 0.167 0.000 1.176 431 A CA 1.670 53.752 52.037 0.075 0.000 0.628 431 A CB -0.651 18.335 19.000 -0.024 0.000 0.816 431 A HN 0.359 nan 8.150 nan 0.000 0.444 432 V N 0.551 120.553 119.914 0.146 0.000 2.407 432 V HA -0.113 4.006 4.120 -0.001 0.000 0.245 432 V C 1.663 177.830 176.094 0.121 0.000 1.041 432 V CA 1.844 64.229 62.300 0.141 0.000 1.040 432 V CB -0.590 31.312 31.823 0.133 0.000 0.671 432 V HN 0.560 nan 8.190 nan 0.000 0.455 433 N N -0.518 118.234 118.700 0.087 0.000 2.220 433 N HA 0.139 4.879 4.740 -0.001 0.000 0.195 433 N C 0.506 176.039 175.510 0.038 0.000 1.123 433 N CA -0.065 53.003 53.050 0.031 0.000 0.874 433 N CB 0.289 38.753 38.487 -0.038 0.000 0.995 433 N HN 0.323 nan 8.380 nan 0.000 0.498 434 R N 0.216 120.780 120.500 0.107 0.000 3.610 434 R HA -0.210 4.129 4.340 -0.001 0.000 0.274 434 R C 0.578 176.953 176.300 0.125 0.000 1.123 434 R CA 0.529 56.722 56.100 0.155 0.000 0.747 434 R CB -1.965 28.494 30.300 0.266 0.000 1.149 434 R HN 0.431 nan 8.270 nan 0.000 0.471 435 G N 0.464 109.262 108.800 -0.003 0.000 2.147 435 G HA2 -0.396 3.564 3.960 -0.001 0.000 0.244 435 G HA3 -0.396 3.564 3.960 -0.001 0.000 0.244 435 G C 0.065 174.910 174.900 -0.091 0.000 1.005 435 G CA 0.446 45.524 45.100 -0.037 0.000 0.713 435 G HN 0.463 nan 8.290 nan 0.000 0.515 436 K N 0.349 120.543 120.400 -0.344 0.000 2.466 436 K HA 0.354 4.674 4.320 -0.001 0.000 0.278 436 K C 1.638 178.076 176.600 -0.270 0.000 1.048 436 K CA 1.286 57.175 56.287 -0.664 0.000 1.088 436 K CB -0.464 31.400 32.500 -1.059 0.000 0.884 436 K HN 1.588 nan 8.250 nan 0.000 0.478 437 G N 3.532 112.244 108.800 -0.147 0.000 2.143 437 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.248 437 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.248 437 G C 0.425 175.296 174.900 -0.048 0.000 0.991 437 G CA 0.812 45.869 45.100 -0.072 0.000 0.689 437 G HN 0.745 nan 8.290 nan 0.000 0.522 438 K N -1.585 118.792 120.400 -0.038 0.000 2.567 438 K HA 0.437 4.756 4.320 -0.001 0.000 0.199 438 K C 0.543 177.138 176.600 -0.009 0.000 1.412 438 K CA 0.944 57.212 56.287 -0.031 0.000 1.020 438 K CB 1.377 33.849 32.500 -0.046 0.000 1.487 438 K HN 0.841 nan 8.250 nan 0.000 0.531 439 V N -0.593 119.332 119.914 0.018 0.000 3.049 439 V HA 0.393 4.513 4.120 -0.001 0.000 0.309 439 V C 0.509 176.648 176.094 0.075 0.000 1.148 439 V CA -1.014 61.313 62.300 0.045 0.000 0.990 439 V CB 2.148 33.993 31.823 0.036 0.000 1.039 439 V HN -0.079 nan 8.190 nan 0.000 0.430 440 K N 1.450 121.895 120.400 0.074 0.000 2.160 440 K HA -0.112 4.207 4.320 -0.001 0.000 0.206 440 K C 1.550 178.187 176.600 0.061 0.000 1.047 440 K CA 2.241 58.569 56.287 0.069 0.000 0.930 440 K CB -0.643 31.896 32.500 0.066 0.000 0.720 440 K HN 0.757 nan 8.250 nan 0.000 0.450 441 L N 0.247 121.505 121.223 0.058 0.000 2.127 441 L HA -0.178 4.161 4.340 -0.001 0.000 0.211 441 L C 1.975 178.868 176.870 0.039 0.000 1.089 441 L CA 1.761 56.622 54.840 0.036 0.000 0.757 441 L CB -0.759 41.323 42.059 0.039 0.000 0.899 441 L HN 0.403 nan 8.230 nan 0.000 0.434 442 Y N 0.229 120.522 120.300 -0.011 0.000 2.053 442 Y HA -0.309 4.241 4.550 -0.001 0.000 0.277 442 Y C 2.459 178.355 175.900 -0.008 0.000 1.159 442 Y CA 2.167 60.262 58.100 -0.009 0.000 1.125 442 Y CB -0.066 38.390 38.460 -0.006 0.000 0.969 442 Y HN 0.211 nan 8.280 nan 0.000 0.492 443 E N 0.406 120.506 120.200 -0.166 0.000 2.204 443 E HA -0.174 4.175 4.350 -0.001 0.000 0.195 443 E C 2.153 178.620 176.600 -0.221 0.000 0.990 443 E CA 1.356 57.611 56.400 -0.242 0.000 0.821 443 E CB -0.278 29.405 29.700 -0.029 0.000 0.750 443 E HN 0.604 nan 8.360 nan 0.000 0.477 444 L N 0.089 121.223 121.223 -0.149 0.000 2.341 444 L HA -0.010 4.330 4.340 -0.001 0.000 0.214 444 L C 1.752 178.541 176.870 -0.136 0.000 1.115 444 L CA 1.352 56.122 54.840 -0.117 0.000 0.820 444 L CB 0.076 42.090 42.059 -0.075 0.000 0.944 444 L HN 0.089 nan 8.230 nan 0.000 0.452 445 T N -5.815 108.637 114.554 -0.170 0.000 3.393 445 T HA 0.167 4.516 4.350 -0.001 0.000 0.298 445 T C 1.133 175.730 174.700 -0.172 0.000 1.004 445 T CA -0.544 61.473 62.100 -0.138 0.000 0.956 445 T CB 0.214 69.026 68.868 -0.094 0.000 1.182 445 T HN -0.024 nan 8.240 nan 0.000 0.497 446 K N 2.148 122.360 120.400 -0.313 0.000 2.097 446 K HA -0.219 4.100 4.320 -0.001 0.000 0.214 446 K C 1.880 178.413 176.600 -0.113 0.000 1.052 446 K CA 2.277 58.350 56.287 -0.357 0.000 0.932 446 K CB -0.256 32.000 32.500 -0.406 0.000 0.716 446 K HN 0.680 nan 8.250 nan 0.000 0.455 447 D N 0.203 120.553 120.400 -0.083 0.000 2.378 447 D HA -0.158 4.481 4.640 -0.001 0.000 0.222 447 D C 1.234 177.537 176.300 0.004 0.000 0.980 447 D CA 0.847 54.831 54.000 -0.027 0.000 0.907 447 D CB 0.036 40.820 40.800 -0.028 0.000 0.899 447 D HN 0.134 nan 8.370 nan 0.000 0.527 448 Q N 0.220 120.020 119.800 -0.001 0.000 2.360 448 Q HA 0.275 4.614 4.340 -0.001 0.000 0.202 448 Q C 0.544 176.598 176.000 0.089 0.000 0.915 448 Q CA -0.007 55.812 55.803 0.027 0.000 0.943 448 Q CB 0.460 29.178 28.738 -0.033 0.000 1.064 448 Q HN 0.392 nan 8.270 nan 0.000 0.511 449 A N 1.203 124.083 122.820 0.099 0.000 2.511 449 A HA 0.257 4.577 4.320 -0.001 0.000 0.242 449 A C 0.025 177.697 177.584 0.147 0.000 1.069 449 A CA 0.082 52.208 52.037 0.147 0.000 0.763 449 A CB 0.099 19.195 19.000 0.162 0.000 1.001 449 A HN 0.298 nan 8.150 nan 0.000 0.498 450 L N 1.621 122.951 121.223 0.177 0.000 2.352 450 L HA 0.383 4.723 4.340 -0.001 0.000 0.269 450 L C 0.048 176.994 176.870 0.127 0.000 1.034 450 L CA -1.066 53.871 54.840 0.161 0.000 0.806 450 L CB 1.463 43.651 42.059 0.216 0.000 1.244 450 L HN 0.902 nan 8.230 nan 0.000 0.447 451 D N -0.052 120.405 120.400 0.095 0.000 2.383 451 D HA 0.096 4.735 4.640 -0.001 0.000 0.248 451 D C 0.926 177.269 176.300 0.071 0.000 1.170 451 D CA -0.463 53.582 54.000 0.076 0.000 0.977 451 D CB 1.356 42.189 40.800 0.054 0.000 1.120 451 D HN 0.498 nan 8.370 nan 0.000 0.481 452 I N -0.276 120.330 120.570 0.059 0.000 2.286 452 I HA -0.260 3.910 4.170 -0.001 0.000 0.248 452 I C 2.045 178.138 176.117 -0.040 0.000 1.115 452 I CA 1.295 62.623 61.300 0.046 0.000 1.392 452 I CB 0.025 38.060 38.000 0.059 0.000 1.065 452 I HN 0.335 nan 8.210 nan 0.000 0.418 453 K N 0.363 120.741 120.400 -0.037 0.000 2.032 453 K HA -0.213 4.107 4.320 -0.001 0.000 0.209 453 K C 1.691 178.253 176.600 -0.063 0.000 1.048 453 K CA 1.927 58.175 56.287 -0.064 0.000 0.927 453 K CB -0.265 32.255 32.500 0.034 0.000 0.712 453 K HN 0.392 nan 8.250 nan 0.000 0.441 454 D N 0.240 120.630 120.400 -0.017 0.000 2.178 454 D HA -0.087 4.552 4.640 -0.001 0.000 0.202 454 D C 1.711 177.973 176.300 -0.064 0.000 0.974 454 D CA 0.957 54.950 54.000 -0.011 0.000 0.841 454 D CB -0.081 40.727 40.800 0.014 0.000 0.953 454 D HN 0.186 nan 8.370 nan 0.000 0.478 455 A N 0.633 123.440 122.820 -0.021 0.000 1.873 455 A HA -0.094 4.225 4.320 -0.001 0.000 0.215 455 A C 2.331 179.841 177.584 -0.122 0.000 1.186 455 A CA 0.832 52.883 52.037 0.022 0.000 0.616 455 A CB -0.709 18.445 19.000 0.257 0.000 0.823 455 A HN 0.196 nan 8.150 nan 0.000 0.442 456 L N -1.551 119.540 121.223 -0.221 0.000 2.093 456 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 456 L C 2.624 179.284 176.870 -0.351 0.000 1.085 456 L CA 1.725 56.286 54.840 -0.465 0.000 0.755 456 L CB -0.754 40.592 42.059 -1.188 0.000 0.904 456 L HN 0.663 nan 8.230 nan 0.000 0.435 457 H N -0.017 118.879 119.070 -0.290 0.000 2.319 457 H HA -0.149 4.406 4.556 -0.001 0.000 0.299 457 H C 2.374 177.613 175.328 -0.148 0.000 1.092 457 H CA 1.989 58.008 56.048 -0.049 0.000 1.302 457 H CB 0.116 29.879 29.762 0.001 0.000 1.373 457 H HN 0.120 nan 8.280 nan 0.000 0.497 458 S N -0.928 114.534 115.700 -0.398 0.000 2.402 458 S HA -0.157 4.313 4.470 -0.001 0.000 0.229 458 S C 1.684 175.922 174.600 -0.604 0.000 1.021 458 S CA 1.014 58.775 58.200 -0.732 0.000 0.974 458 S CB -0.373 61.925 63.200 -1.503 0.000 0.800 458 S HN 0.573 nan 8.310 nan 0.000 0.484 459 Y N 1.721 121.731 120.300 -0.484 0.000 2.490 459 Y HA -0.040 4.509 4.550 -0.001 0.000 0.281 459 Y C 2.157 178.032 175.900 -0.041 0.000 1.174 459 Y CA 0.680 58.711 58.100 -0.114 0.000 1.295 459 Y CB 0.176 38.721 38.460 0.142 0.000 1.062 459 Y HN 0.479 nan 8.280 nan 0.000 0.522 460 T N -4.327 110.240 114.554 0.021 0.000 3.364 460 T HA -0.084 4.266 4.350 -0.001 0.000 0.179 460 T C 1.188 175.869 174.700 -0.031 0.000 0.939 460 T CA 0.033 62.157 62.100 0.040 0.000 1.094 460 T CB -0.891 68.001 68.868 0.041 0.000 1.532 460 T HN 0.119 nan 8.240 nan 0.000 0.346 461 Y N 2.508 122.658 120.300 -0.251 0.000 2.242 461 Y HA 0.197 4.747 4.550 -0.001 0.000 0.291 461 Y C 2.552 178.207 175.900 -0.410 0.000 1.137 461 Y CA 1.508 59.426 58.100 -0.304 0.000 1.181 461 Y CB -0.878 37.395 38.460 -0.312 0.000 0.989 461 Y HN 0.454 nan 8.280 nan 0.000 0.527 462 G N -1.025 107.442 108.800 -0.555 0.000 2.433 462 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.216 462 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.216 462 G C 1.930 176.531 174.900 -0.499 0.000 1.186 462 G CA 1.108 45.897 45.100 -0.518 0.000 0.779 462 G HN 0.415 nan 8.290 nan 0.000 0.543 463 S N 0.872 116.287 115.700 -0.475 0.000 2.368 463 S HA -0.030 4.440 4.470 -0.001 0.000 0.225 463 S C 2.776 176.722 174.600 -1.091 0.000 1.030 463 S CA 1.289 59.133 58.200 -0.594 0.000 0.999 463 S CB -0.375 62.609 63.200 -0.360 0.000 0.844 463 S HN 0.604 nan 8.310 nan 0.000 0.459 464 A N 2.083 124.236 122.820 -1.112 0.000 1.877 464 A HA -0.105 4.215 4.320 -0.001 0.000 0.216 464 A C 2.174 179.328 177.584 -0.717 0.000 1.186 464 A CA 1.099 52.488 52.037 -1.079 0.000 0.620 464 A CB -0.425 18.332 19.000 -0.406 0.000 0.822 464 A HN 0.275 nan 8.150 nan 0.000 0.443 465 R N -0.447 119.652 120.500 -0.668 0.000 2.081 465 R HA -0.087 4.252 4.340 -0.001 0.000 0.235 465 R C 2.099 178.159 176.300 -0.401 0.000 1.131 465 R CA 1.434 57.216 56.100 -0.530 0.000 0.960 465 R CB -1.212 28.723 30.300 -0.608 0.000 0.856 465 R HN 0.421 nan 8.270 nan 0.000 0.436 466 V N 0.473 120.135 119.914 -0.419 0.000 2.469 466 V HA -0.171 3.948 4.120 -0.001 0.000 0.251 466 V C 2.135 178.066 176.094 -0.272 0.000 1.064 466 V CA 1.940 64.050 62.300 -0.317 0.000 1.066 466 V CB -0.408 31.233 31.823 -0.304 0.000 0.667 466 V HN 0.292 nan 8.190 nan 0.000 0.461 467 S N -1.221 114.245 115.700 -0.391 0.000 2.605 467 S HA 0.214 4.683 4.470 -0.001 0.000 0.217 467 S C 0.881 175.323 174.600 -0.265 0.000 0.958 467 S CA -0.239 57.788 58.200 -0.287 0.000 0.919 467 S CB -0.455 62.463 63.200 -0.470 0.000 0.780 467 S HN 0.491 nan 8.310 nan 0.000 0.507 468 L N -0.071 121.010 121.223 -0.237 0.000 3.717 468 L HA -0.231 4.109 4.340 -0.001 0.000 0.414 468 L C 0.239 177.025 176.870 -0.141 0.000 1.228 468 L CA 0.263 55.019 54.840 -0.140 0.000 0.918 468 L CB -2.382 39.668 42.059 -0.015 0.000 1.865 468 L HN 0.392 nan 8.230 nan 0.000 0.922 469 A N 0.031 122.684 122.820 -0.277 0.000 2.582 469 A HA 0.567 4.886 4.320 -0.001 0.000 0.336 469 A C 1.310 178.883 177.584 -0.018 0.000 1.445 469 A CA 0.230 52.192 52.037 -0.125 0.000 0.997 469 A CB 0.496 19.357 19.000 -0.232 0.000 1.148 469 A HN 0.491 nan 8.150 nan 0.000 0.514 470 S N 0.989 116.691 115.700 0.004 0.000 2.481 470 S HA -0.101 4.368 4.470 -0.001 0.000 0.231 470 S C 0.671 175.206 174.600 -0.107 0.000 0.996 470 S CA 1.065 59.244 58.200 -0.034 0.000 0.942 470 S CB -0.155 63.016 63.200 -0.048 0.000 0.768 470 S HN 0.693 nan 8.310 nan 0.000 0.520 471 D N 0.639 121.004 120.400 -0.058 0.000 2.463 471 D HA 0.323 4.963 4.640 -0.001 0.000 0.224 471 D C 0.057 176.491 176.300 0.223 0.000 1.174 471 D CA -0.437 53.449 54.000 -0.189 0.000 0.829 471 D CB -0.330 40.397 40.800 -0.122 0.000 0.993 471 D HN 0.454 nan 8.370 nan 0.000 0.497 472 I N -0.959 119.866 120.570 0.424 0.000 2.646 472 I HA 0.592 4.761 4.170 -0.001 0.000 0.299 472 I C 1.094 177.545 176.117 0.557 0.000 1.036 472 I CA -0.721 60.890 61.300 0.519 0.000 1.074 472 I CB 2.333 40.613 38.000 0.467 0.000 1.258 472 I HN 0.119 nan 8.210 nan 0.000 0.430 473 G N 3.821 112.844 108.800 0.372 0.000 2.284 473 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.201 473 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.201 473 G C -0.010 174.875 174.900 -0.025 0.000 0.998 473 G CA -0.504 44.733 45.100 0.229 0.000 0.651 473 G HN 0.517 nan 8.290 nan 0.000 0.489 474 K N -0.588 119.542 120.400 -0.451 0.000 2.400 474 K HA 0.776 5.095 4.320 -0.001 0.000 0.246 474 K C -0.154 176.124 176.600 -0.537 0.000 0.995 474 K CA -0.922 54.912 56.287 -0.754 0.000 0.840 474 K CB 1.884 33.569 32.500 -1.358 0.000 1.293 474 K HN 0.019 nan 8.250 nan 0.000 0.445 475 L N 1.818 122.824 121.223 -0.361 0.000 3.094 475 L HA 0.272 4.611 4.340 -0.001 0.000 0.254 475 L C -0.316 176.468 176.870 -0.143 0.000 1.298 475 L CA -0.029 54.715 54.840 -0.160 0.000 1.050 475 L CB 0.307 42.301 42.059 -0.108 0.000 1.420 475 L HN 0.489 nan 8.230 nan 0.000 0.548 476 E N 0.690 120.788 120.200 -0.170 0.000 2.280 476 E HA 0.309 4.658 4.350 -0.001 0.000 0.264 476 E C -2.312 174.394 176.600 0.176 0.000 1.064 476 E CA -2.097 54.286 56.400 -0.029 0.000 0.900 476 E CB 0.738 30.412 29.700 -0.043 0.000 1.123 476 E HN -0.062 nan 8.360 nan 0.000 0.418 477 P HA -0.078 nan 4.420 nan 0.000 0.262 477 P C 0.472 177.870 177.300 0.163 0.000 1.182 477 P CA 1.255 64.428 63.100 0.122 0.000 0.761 477 P CB 0.387 32.129 31.700 0.069 0.000 0.795 478 G N 1.643 110.511 108.800 0.112 0.000 2.279 478 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.223 478 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.223 478 G C 0.007 174.880 174.900 -0.045 0.000 1.015 478 G CA -0.568 44.536 45.100 0.007 0.000 0.621 478 G HN 0.405 nan 8.290 nan 0.000 0.506 479 F N 2.288 122.268 119.950 0.050 0.000 2.382 479 F HA 0.536 5.063 4.527 -0.001 0.000 0.331 479 F C 1.295 177.140 175.800 0.075 0.000 1.121 479 F CA -0.321 57.721 58.000 0.071 0.000 1.183 479 F CB 0.784 39.825 39.000 0.068 0.000 1.207 479 F HN -0.124 nan 8.300 nan 0.000 0.555 480 K N 1.498 122.059 120.400 0.269 0.000 2.436 480 K HA 0.262 4.582 4.320 -0.001 0.000 0.275 480 K C -0.078 176.647 176.600 0.208 0.000 0.999 480 K CA -0.158 56.243 56.287 0.190 0.000 0.980 480 K CB 0.518 33.114 32.500 0.160 0.000 0.919 480 K HN 0.682 nan 8.250 nan 0.000 0.484 481 A N 4.489 127.415 122.820 0.177 0.000 3.063 481 A HA 0.027 4.346 4.320 -0.001 0.000 0.263 481 A C -0.438 177.281 177.584 0.224 0.000 1.736 481 A CA -0.188 51.998 52.037 0.249 0.000 1.408 481 A CB -0.193 18.970 19.000 0.272 0.000 1.108 481 A HN 0.518 nan 8.150 nan 0.000 0.621 482 E N 1.903 122.201 120.200 0.162 0.000 2.055 482 E HA 0.436 4.785 4.350 -0.001 0.000 0.274 482 E C -1.077 175.579 176.600 0.093 0.000 0.949 482 E CA -0.099 56.323 56.400 0.036 0.000 0.775 482 E CB 0.560 30.285 29.700 0.040 0.000 1.097 482 E HN 0.663 nan 8.360 nan 0.000 0.404 483 Y N 0.542 120.855 120.300 0.022 0.000 2.615 483 Y HA 0.712 5.262 4.550 -0.001 0.000 0.341 483 Y C -0.428 175.492 175.900 0.034 0.000 1.089 483 Y CA -1.580 56.531 58.100 0.019 0.000 1.049 483 Y CB 1.082 39.556 38.460 0.024 0.000 1.296 483 Y HN 0.298 nan 8.280 nan 0.000 0.470 484 I N 0.439 121.150 120.570 0.234 0.000 2.689 484 I HA 0.682 4.852 4.170 -0.001 0.000 0.299 484 I C -1.288 175.016 176.117 0.313 0.000 1.059 484 I CA -1.286 60.134 61.300 0.200 0.000 1.055 484 I CB 2.451 40.533 38.000 0.137 0.000 1.243 484 I HN 0.634 nan 8.210 nan 0.000 0.425 485 I N 5.580 126.328 120.570 0.297 0.000 2.336 485 I HA 0.454 4.624 4.170 -0.001 0.000 0.292 485 I C -0.491 175.802 176.117 0.293 0.000 0.991 485 I CA -0.529 60.947 61.300 0.294 0.000 1.227 485 I CB 1.633 39.796 38.000 0.272 0.000 1.366 485 I HN 0.412 nan 8.210 nan 0.000 0.466 486 L N 5.076 126.487 121.223 0.312 0.000 2.333 486 L HA 0.437 4.776 4.340 -0.001 0.000 0.269 486 L C 0.488 177.559 176.870 0.334 0.000 1.010 486 L CA -0.747 54.278 54.840 0.308 0.000 0.818 486 L CB 1.836 44.073 42.059 0.297 0.000 1.306 486 L HN 0.463 nan 8.230 nan 0.000 0.430 487 D N 0.477 121.051 120.400 0.290 0.000 2.234 487 D HA 0.028 4.668 4.640 -0.001 0.000 0.205 487 D C 0.481 176.942 176.300 0.269 0.000 0.962 487 D CA 1.206 55.371 54.000 0.276 0.000 0.855 487 D CB 0.368 41.313 40.800 0.241 0.000 0.951 487 D HN 0.398 nan 8.370 nan 0.000 0.500 488 R N -0.013 120.548 120.500 0.102 0.000 2.867 488 R HA 0.224 4.564 4.340 -0.001 0.000 0.268 488 R C -0.835 175.091 176.300 -0.624 0.000 1.014 488 R CA -0.854 55.111 56.100 -0.226 0.000 0.946 488 R CB 1.350 31.550 30.300 -0.166 0.000 1.208 488 R HN -0.211 nan 8.270 nan 0.000 0.477 489 D N 2.907 122.642 120.400 -1.109 0.000 2.389 489 D HA 0.008 4.647 4.640 -0.001 0.000 0.263 489 D C -1.352 174.802 176.300 -0.243 0.000 1.255 489 D CA -1.677 51.874 54.000 -0.747 0.000 0.914 489 D CB 1.011 41.533 40.800 -0.463 0.000 1.116 489 D HN 0.183 nan 8.370 nan 0.000 0.502 490 P HA -0.123 nan 4.420 nan 0.000 0.222 490 P C 1.532 178.852 177.300 0.034 0.000 1.147 490 P CA 0.684 63.828 63.100 0.072 0.000 0.790 490 P CB 0.252 32.086 31.700 0.223 0.000 0.780 491 L N -1.313 119.884 121.223 -0.044 0.000 2.551 491 L HA 0.013 4.352 4.340 -0.001 0.000 0.228 491 L C 2.020 178.880 176.870 -0.016 0.000 1.153 491 L CA 0.586 55.412 54.840 -0.024 0.000 0.851 491 L CB -0.180 41.866 42.059 -0.022 0.000 0.959 491 L HN -0.141 nan 8.230 nan 0.000 0.451 492 V N -1.249 118.633 119.914 -0.053 0.000 3.451 492 V HA 0.147 4.267 4.120 -0.001 0.000 0.288 492 V C 0.470 176.493 176.094 -0.118 0.000 1.502 492 V CA 0.031 62.290 62.300 -0.068 0.000 1.026 492 V CB 1.710 33.497 31.823 -0.061 0.000 0.840 492 V HN -0.056 nan 8.190 nan 0.000 0.437 493 V N 1.504 121.321 119.914 -0.162 0.000 2.481 493 V HA 0.312 4.431 4.120 -0.001 0.000 0.286 493 V C 0.339 176.288 176.094 -0.241 0.000 1.042 493 V CA -0.987 61.144 62.300 -0.282 0.000 0.928 493 V CB 1.439 32.952 31.823 -0.517 0.000 0.986 493 V HN 0.334 nan 8.190 nan 0.000 0.462 494 K N 3.109 123.350 120.400 -0.264 0.000 2.484 494 K HA 0.017 4.337 4.320 -0.001 0.000 0.280 494 K C 0.792 177.324 176.600 -0.113 0.000 1.013 494 K CA 0.034 56.218 56.287 -0.172 0.000 1.029 494 K CB 0.754 33.083 32.500 -0.284 0.000 0.902 494 K HN 0.612 nan 8.250 nan 0.000 0.481 495 E N 1.401 121.626 120.200 0.043 0.000 2.097 495 E HA -0.165 4.184 4.350 -0.001 0.000 0.196 495 E C 1.740 178.422 176.600 0.138 0.000 1.000 495 E CA 1.639 58.137 56.400 0.163 0.000 0.804 495 E CB -0.076 29.777 29.700 0.256 0.000 0.740 495 E HN 0.850 nan 8.360 nan 0.000 0.454 496 G N -1.068 107.798 108.800 0.109 0.000 3.124 496 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.212 496 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.212 496 G C 0.472 175.240 174.900 -0.220 0.000 1.181 496 G CA 0.015 45.115 45.100 -0.001 0.000 0.803 496 G HN 0.312 nan 8.290 nan 0.000 0.529 497 H N -0.546 118.340 119.070 -0.306 0.000 2.581 497 H HA 0.154 4.710 4.556 -0.001 0.000 0.275 497 H C -0.247 174.594 175.328 -0.813 0.000 1.126 497 H CA -0.442 55.320 56.048 -0.476 0.000 1.097 497 H CB 0.638 30.178 29.762 -0.370 0.000 1.626 497 H HN 0.386 nan 8.280 nan 0.000 0.565 498 H N 0.562 119.280 119.070 -0.588 0.000 2.610 498 H HA 0.148 4.703 4.556 -0.001 0.000 0.336 498 H C 0.420 175.408 175.328 -0.567 0.000 1.087 498 H CA 0.234 55.905 56.048 -0.628 0.000 1.405 498 H CB 0.718 29.997 29.762 -0.806 0.000 1.460 498 H HN 0.259 nan 8.280 nan 0.000 0.538 499 H N 1.493 120.472 119.070 -0.152 0.000 2.615 499 H HA 0.191 4.747 4.556 -0.001 0.000 0.346 499 H C 0.446 175.551 175.328 -0.372 0.000 1.200 499 H CA -0.404 55.557 56.048 -0.146 0.000 1.264 499 H CB 1.188 30.950 29.762 0.001 0.000 1.699 499 H HN 1.017 nan 8.280 nan 0.000 0.567 500 H N 0.000 119.183 119.070 0.189 0.000 2.539 500 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 500 H CA 0.000 56.119 56.048 0.119 0.000 1.023 500 H CB 0.000 29.823 29.762 0.102 0.000 1.292 500 H HN 0.000 nan 8.280 nan 0.000 0.496