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 1wac_1_B DATA FIRST_RESID 1 DATA SEQUENCE PRRAPAFPLS DIKAQMLFAN NIKAQQASKR SFKEGAIETY EGLLSVDPRF DATA SEQUENCE LSFKNELSRY LTDHFPANVD EYGRVYGNGV RTNFFGMRHM NGFPMIPATW DATA SEQUENCE PLASNLKKRA DADLADGPVS ERDNLLFRAA VRLMFSDLEP VPLKIRKGSS DATA SEQUENCE TCIPYFSNDM GTKIEIAERA LEKAEEAGNL MLQGKFDDAY QLHQMGGAYY DATA SEQUENCE VVYRAQSTDA ITLDPKTGKF VSKDRMVADF EYAVTGGEQG SLFAASKDAS DATA SEQUENCE RLKEQYGIDV PDGFFCERRR TAMGGPFALN APIMAVAQPV RNKIYSKYAY DATA SEQUENCE TFHHTTRLNK EEKVKEWSLC VATDVSDHDT FWPGWLRDLI CDELLNMGYA DATA SEQUENCE PWWVKLFETS LKLPVYVGAP APEQGHTLLG DPSNPDLEVG LSSGQGATDL DATA SEQUENCE MGTLLMSITY LVMQLDHTAP HLNSRIKDMP SACRFLDSYW QGHEEIRQIS DATA SEQUENCE KSDDAMLGWT KGRALVGGHR LFEMLKEGKV NPSPYMKISY EHGGAFLGDI DATA SEQUENCE LLYDSRREPG SAIFVGNINS MLNNQFSPEY GVQSGVRDRS KRKRPFPGLA DATA SEQUENCE WASMKDTYGA CPIYSDVLEA IERCWWNAFG ESYRAYREDM LKRDTLELSR DATA SEQUENCE YVASMARQAG LAELTPIDLE VLADPNKLSG TEADVSANIH EVLMHGVSVE DATA SEQUENCE KTERFLRSVM PR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.278 177.300 -0.037 0.000 1.155 1 P CA 0.000 63.079 63.100 -0.035 0.000 0.800 1 P CB 0.000 31.686 31.700 -0.024 0.000 0.726 2 R N 2.814 123.293 120.500 -0.035 0.000 1.756 2 R HA -0.161 4.176 4.340 -0.005 0.000 0.379 2 R C 0.019 176.290 176.300 -0.047 0.000 1.251 2 R CA 0.723 56.803 56.100 -0.033 0.000 1.119 2 R CB 0.068 30.356 30.300 -0.020 0.000 3.262 2 R HN 0.737 nan 8.270 nan 0.000 0.487 3 R N 3.780 124.245 120.500 -0.058 0.000 2.698 3 R HA 0.367 4.704 4.340 -0.005 0.000 0.266 3 R C 0.078 176.337 176.300 -0.069 0.000 1.026 3 R CA 0.469 56.521 56.100 -0.080 0.000 1.102 3 R CB 0.698 30.947 30.300 -0.085 0.000 0.978 3 R HN 0.571 nan 8.270 nan 0.000 0.436 4 A N 4.104 126.875 122.820 -0.083 0.000 2.351 4 A HA 0.409 4.726 4.320 -0.005 0.000 0.257 4 A C -2.064 175.485 177.584 -0.058 0.000 1.087 4 A CA -1.654 50.353 52.037 -0.051 0.000 0.798 4 A CB -0.012 18.962 19.000 -0.043 0.000 1.033 4 A HN 0.724 nan 8.150 nan 0.000 0.488 5 P HA 0.462 nan 4.420 nan 0.000 0.275 5 P C -0.757 176.438 177.300 -0.175 0.000 1.228 5 P CA 0.194 63.201 63.100 -0.155 0.000 0.786 5 P CB 1.204 32.891 31.700 -0.022 0.000 0.927 6 A N 2.337 124.889 122.820 -0.447 0.000 2.455 6 A HA 0.792 5.109 4.320 -0.005 0.000 0.300 6 A C -1.576 175.768 177.584 -0.401 0.000 1.040 6 A CA -0.368 51.597 52.037 -0.118 0.000 0.697 6 A CB 0.809 19.948 19.000 0.230 0.000 1.265 6 A HN 0.323 nan 8.150 nan 0.000 0.407 7 F N 1.781 121.851 119.950 0.199 0.000 2.578 7 F HA 0.647 5.173 4.527 -0.001 0.000 0.311 7 F C -2.362 173.564 175.800 0.211 0.000 1.094 7 F CA -2.443 55.661 58.000 0.173 0.000 0.923 7 F CB 2.112 41.207 39.000 0.158 0.000 1.230 7 F HN 0.318 nan 8.300 nan 0.000 0.450 8 P HA 0.062 nan 4.420 nan 0.000 0.274 8 P C 0.752 178.259 177.300 0.344 0.000 1.237 8 P CA -0.363 62.910 63.100 0.289 0.000 0.793 8 P CB 1.499 33.309 31.700 0.182 0.000 0.977 9 L N 2.936 124.380 121.223 0.369 0.000 2.129 9 L HA -0.192 4.145 4.340 -0.005 0.000 0.212 9 L C 2.455 179.466 176.870 0.234 0.000 1.087 9 L CA 2.578 57.639 54.840 0.369 0.000 0.757 9 L CB -1.842 40.434 42.059 0.362 0.000 0.896 9 L HN 0.527 nan 8.230 nan 0.000 0.434 10 S N -1.304 114.509 115.700 0.188 0.000 2.419 10 S HA -0.175 4.292 4.470 -0.005 0.000 0.233 10 S C 1.119 175.803 174.600 0.139 0.000 1.016 10 S CA 0.564 58.845 58.200 0.135 0.000 0.974 10 S CB -0.812 62.453 63.200 0.107 0.000 0.786 10 S HN 0.647 nan 8.310 nan 0.000 0.492 11 D N 0.646 121.153 120.400 0.179 0.000 2.414 11 D HA 0.006 4.643 4.640 -0.005 0.000 0.242 11 D C 1.273 177.642 176.300 0.115 0.000 1.129 11 D CA -0.071 54.030 54.000 0.168 0.000 0.885 11 D CB 0.892 41.851 40.800 0.265 0.000 1.198 11 D HN 0.221 nan 8.370 nan 0.000 0.437 12 I N 4.344 124.962 120.570 0.080 0.000 2.315 12 I HA -0.273 3.894 4.170 -0.005 0.000 0.251 12 I C 2.012 178.133 176.117 0.008 0.000 1.125 12 I CA 1.604 62.934 61.300 0.050 0.000 1.392 12 I CB -0.073 37.951 38.000 0.040 0.000 1.065 12 I HN 0.398 nan 8.210 nan 0.000 0.424 13 K N 0.430 120.789 120.400 -0.068 0.000 2.147 13 K HA -0.129 4.188 4.320 -0.005 0.000 0.205 13 K C 2.076 178.598 176.600 -0.130 0.000 1.049 13 K CA 1.402 57.564 56.287 -0.208 0.000 0.936 13 K CB -0.322 31.826 32.500 -0.588 0.000 0.722 13 K HN 0.523 nan 8.250 nan 0.000 0.446 14 A N 1.048 123.878 122.820 0.016 0.000 1.850 14 A HA -0.157 4.160 4.320 -0.005 0.000 0.212 14 A C 2.119 179.805 177.584 0.170 0.000 1.208 14 A CA 0.947 53.070 52.037 0.144 0.000 0.609 14 A CB -0.513 18.680 19.000 0.322 0.000 0.860 14 A HN 0.126 nan 8.150 nan 0.000 0.448 15 Q N -0.693 119.213 119.800 0.176 0.000 2.197 15 Q HA -0.160 4.177 4.340 -0.005 0.000 0.211 15 Q C 1.835 177.937 176.000 0.171 0.000 0.993 15 Q CA 1.750 57.669 55.803 0.193 0.000 0.883 15 Q CB -0.375 28.438 28.738 0.124 0.000 0.916 15 Q HN 0.556 nan 8.270 nan 0.000 0.418 16 M N -0.643 119.006 119.600 0.082 0.000 2.686 16 M HA -0.039 4.438 4.480 -0.005 0.000 0.246 16 M C 0.850 177.178 176.300 0.045 0.000 1.096 16 M CA 0.814 56.158 55.300 0.074 0.000 1.076 16 M CB -0.118 32.522 32.600 0.066 0.000 1.504 16 M HN 0.263 nan 8.290 nan 0.000 0.524 17 L N -1.417 119.731 121.223 -0.125 0.000 2.585 17 L HA 0.122 4.459 4.340 -0.005 0.000 0.226 17 L C -0.396 176.058 176.870 -0.693 0.000 1.113 17 L CA 0.046 54.593 54.840 -0.488 0.000 0.876 17 L CB 0.160 41.708 42.059 -0.852 0.000 1.072 17 L HN 0.013 nan 8.230 nan 0.000 0.468 18 F N 0.050 120.016 119.950 0.028 0.000 2.493 18 F HA 0.594 5.117 4.527 -0.007 0.000 0.329 18 F C 0.639 176.469 175.800 0.051 0.000 1.126 18 F CA -1.231 56.809 58.000 0.068 0.000 0.937 18 F CB 0.825 39.802 39.000 -0.037 0.000 1.146 18 F HN -0.238 nan 8.300 nan 0.000 0.442 19 A N 1.725 124.671 122.820 0.209 0.000 2.492 19 A HA 0.072 4.388 4.320 -0.005 0.000 0.236 19 A C 0.691 178.382 177.584 0.179 0.000 1.078 19 A CA -0.295 51.855 52.037 0.188 0.000 0.773 19 A CB 0.044 19.241 19.000 0.329 0.000 1.023 19 A HN 0.787 nan 8.150 nan 0.000 0.504 20 N N 0.708 119.492 118.700 0.139 0.000 3.243 20 N HA 0.077 4.814 4.740 -0.005 0.000 0.310 20 N C -0.147 175.413 175.510 0.083 0.000 1.313 20 N CA 0.285 53.392 53.050 0.095 0.000 1.204 20 N CB -0.907 37.622 38.487 0.069 0.000 1.483 20 N HN 0.795 nan 8.380 nan 0.000 0.553 21 N N -1.028 117.730 118.700 0.097 0.000 3.566 21 N HA 0.367 5.104 4.740 -0.005 0.000 0.354 21 N C 0.074 175.612 175.510 0.047 0.000 1.632 21 N CA -0.663 52.427 53.050 0.067 0.000 0.690 21 N CB 0.555 39.088 38.487 0.078 0.000 2.273 21 N HN -0.123 nan 8.380 nan 0.000 0.643 22 I N -0.680 119.907 120.570 0.029 0.000 3.570 22 I HA 0.126 4.293 4.170 -0.005 0.000 0.270 22 I C 1.445 177.541 176.117 -0.035 0.000 1.162 22 I CA 0.205 61.502 61.300 -0.004 0.000 1.413 22 I CB -0.258 37.744 38.000 0.003 0.000 1.437 22 I HN 0.453 nan 8.210 nan 0.000 0.457 23 K N 1.921 122.307 120.400 -0.024 0.000 1.972 23 K HA -0.216 4.101 4.320 -0.005 0.000 0.227 23 K C 1.959 178.440 176.600 -0.198 0.000 1.046 23 K CA 1.668 57.910 56.287 -0.075 0.000 1.013 23 K CB -1.100 31.395 32.500 -0.008 0.000 0.741 23 K HN 0.266 nan 8.250 nan 0.000 0.446 24 A N 1.443 124.162 122.820 -0.168 0.000 1.936 24 A HA -0.324 3.993 4.320 -0.005 0.000 0.260 24 A C 2.124 179.549 177.584 -0.265 0.000 2.436 24 A CA 2.652 54.569 52.037 -0.200 0.000 0.777 24 A CB -0.765 18.324 19.000 0.149 0.000 0.823 24 A HN 0.535 nan 8.150 nan 0.000 0.576 25 Q N -1.974 117.706 119.800 -0.200 0.000 2.378 25 Q HA 0.054 4.390 4.340 -0.005 0.000 0.216 25 Q C 2.047 177.888 176.000 -0.265 0.000 0.892 25 Q CA 0.797 56.464 55.803 -0.228 0.000 0.931 25 Q CB 0.164 28.843 28.738 -0.098 0.000 1.086 25 Q HN 0.911 nan 8.270 nan 0.000 0.528 26 Q N -0.283 119.380 119.800 -0.229 0.000 2.269 26 Q HA 0.098 4.434 4.340 -0.005 0.000 0.201 26 Q C 1.827 177.702 176.000 -0.208 0.000 0.946 26 Q CA 0.822 56.524 55.803 -0.169 0.000 0.877 26 Q CB 0.166 28.832 28.738 -0.119 0.000 0.963 26 Q HN 0.228 nan 8.270 nan 0.000 0.472 27 A N 1.684 124.269 122.820 -0.392 0.000 1.898 27 A HA -0.190 4.127 4.320 -0.005 0.000 0.216 27 A C 2.382 179.797 177.584 -0.282 0.000 1.181 27 A CA 1.718 53.511 52.037 -0.407 0.000 0.620 27 A CB -0.594 17.799 19.000 -1.011 0.000 0.819 27 A HN 0.435 nan 8.150 nan 0.000 0.442 28 S N 0.593 115.818 115.700 -0.792 0.000 2.374 28 S HA -0.224 4.243 4.470 -0.005 0.000 0.227 28 S C 1.596 176.123 174.600 -0.121 0.000 1.037 28 S CA 1.690 59.388 58.200 -0.836 0.000 1.024 28 S CB -0.328 62.115 63.200 -1.262 0.000 0.861 28 S HN 0.710 nan 8.310 nan 0.000 0.456 29 K N 0.149 120.527 120.400 -0.038 0.000 2.425 29 K HA 0.283 4.600 4.320 -0.005 0.000 0.201 29 K C 0.589 177.344 176.600 0.259 0.000 1.128 29 K CA -0.449 55.969 56.287 0.218 0.000 1.000 29 K CB 0.063 32.609 32.500 0.076 0.000 0.961 29 K HN 0.194 nan 8.250 nan 0.000 0.555 30 R N 3.203 123.760 120.500 0.094 0.000 2.442 30 R HA -0.141 4.196 4.340 -0.005 0.000 0.274 30 R C -0.172 176.265 176.300 0.228 0.000 0.944 30 R CA 0.797 56.963 56.100 0.109 0.000 1.097 30 R CB 0.160 30.501 30.300 0.069 0.000 0.847 30 R HN 0.307 nan 8.270 nan 0.000 0.430 31 S N 3.533 119.351 115.700 0.196 0.000 2.751 31 S HA 0.465 4.932 4.470 -0.005 0.000 0.310 31 S C -0.435 174.282 174.600 0.195 0.000 1.128 31 S CA -0.960 57.403 58.200 0.272 0.000 0.931 31 S CB 0.701 64.029 63.200 0.213 0.000 1.177 31 S HN 0.546 nan 8.310 nan 0.000 0.530 32 F N 1.556 121.570 119.950 0.106 0.000 2.623 32 F HA 0.408 4.934 4.527 -0.003 0.000 0.383 32 F C 0.074 175.902 175.800 0.046 0.000 1.077 32 F CA 0.787 58.818 58.000 0.052 0.000 1.268 32 F CB 0.039 39.066 39.000 0.044 0.000 1.053 32 F HN 0.605 nan 8.300 nan 0.000 0.571 33 K N 5.237 125.198 120.400 -0.731 0.000 2.501 33 K HA 0.346 4.663 4.320 -0.005 0.000 0.252 33 K C -1.406 174.781 176.600 -0.689 0.000 0.934 33 K CA -0.826 55.176 56.287 -0.475 0.000 0.797 33 K CB 1.981 34.353 32.500 -0.212 0.000 1.270 33 K HN 0.716 nan 8.250 nan 0.000 0.431 34 E N 0.872 120.806 120.200 -0.443 0.000 2.429 34 E HA 0.845 5.192 4.350 -0.005 0.000 0.276 34 E C -0.823 175.445 176.600 -0.552 0.000 0.953 34 E CA -1.528 54.570 56.400 -0.502 0.000 0.787 34 E CB 2.317 31.811 29.700 -0.343 0.000 1.307 34 E HN 0.572 nan 8.360 nan 0.000 0.458 35 G N -0.149 108.071 108.800 -0.967 0.000 2.341 35 G HA2 0.445 4.401 3.960 -0.005 0.000 0.300 35 G HA3 0.445 4.401 3.960 -0.005 0.000 0.300 35 G C -0.913 173.564 174.900 -0.705 0.000 1.706 35 G CA -0.467 44.139 45.100 -0.823 0.000 0.916 35 G HN 0.743 nan 8.290 nan 0.000 0.716 36 A N 1.668 124.335 122.820 -0.255 0.000 2.580 36 A HA 0.455 4.772 4.320 -0.005 0.000 0.244 36 A C 1.092 178.686 177.584 0.017 0.000 1.045 36 A CA 0.754 52.876 52.037 0.141 0.000 0.761 36 A CB -0.437 18.768 19.000 0.341 0.000 0.962 36 A HN 1.923 nan 8.150 nan 0.000 0.512 37 I N -0.297 120.292 120.570 0.031 0.000 2.886 37 I HA 0.416 4.583 4.170 -0.005 0.000 0.299 37 I C 0.470 176.617 176.117 0.049 0.000 1.044 37 I CA -0.640 60.670 61.300 0.016 0.000 1.310 37 I CB 0.944 38.950 38.000 0.011 0.000 1.441 37 I HN 0.709 nan 8.210 nan 0.000 0.578 38 E N 2.520 122.736 120.200 0.026 0.000 1.924 38 E HA 0.149 4.496 4.350 -0.005 0.000 0.261 38 E C 0.331 176.926 176.600 -0.007 0.000 1.088 38 E CA -0.273 56.141 56.400 0.025 0.000 0.909 38 E CB 0.510 30.225 29.700 0.024 0.000 1.112 38 E HN 0.837 nan 8.360 nan 0.000 0.425 39 T N 3.407 117.946 114.554 -0.026 0.000 2.624 39 T HA -0.189 4.157 4.350 -0.005 0.000 0.268 39 T C -0.149 174.343 174.700 -0.347 0.000 1.041 39 T CA 1.640 63.645 62.100 -0.159 0.000 1.159 39 T CB -0.145 68.645 68.868 -0.131 0.000 0.863 39 T HN 0.389 nan 8.240 nan 0.000 0.434 40 Y N -0.485 119.832 120.300 0.028 0.000 2.615 40 Y HA 0.404 4.951 4.550 -0.005 0.000 0.341 40 Y C -0.069 175.848 175.900 0.028 0.000 1.089 40 Y CA -1.757 56.365 58.100 0.037 0.000 1.049 40 Y CB 1.075 39.595 38.460 0.101 0.000 1.296 40 Y HN -0.078 nan 8.280 nan 0.000 0.470 41 E N 0.738 121.060 120.200 0.205 0.000 2.765 41 E HA 0.153 4.500 4.350 -0.005 0.000 0.256 41 E C 0.618 177.284 176.600 0.111 0.000 0.935 41 E CA 1.367 57.832 56.400 0.108 0.000 0.954 41 E CB 0.037 29.776 29.700 0.065 0.000 0.908 41 E HN 0.893 nan 8.360 nan 0.000 0.500 42 G N 3.863 112.705 108.800 0.070 0.000 2.356 42 G HA2 -0.270 3.686 3.960 -0.005 0.000 0.296 42 G HA3 -0.270 3.686 3.960 -0.005 0.000 0.296 42 G C -0.202 174.730 174.900 0.053 0.000 1.022 42 G CA 0.203 45.336 45.100 0.055 0.000 0.961 42 G HN 0.422 nan 8.290 nan 0.000 0.510 43 L N -0.046 121.210 121.223 0.056 0.000 2.541 43 L HA 0.471 4.808 4.340 -0.005 0.000 0.266 43 L C -0.799 176.075 176.870 0.006 0.000 0.966 43 L CA -1.073 53.776 54.840 0.014 0.000 0.871 43 L CB 1.282 43.339 42.059 -0.003 0.000 1.232 43 L HN -0.000 nan 8.230 nan 0.000 0.408 44 L N 2.864 124.112 121.223 0.041 0.000 2.292 44 L HA 0.273 4.610 4.340 -0.005 0.000 0.284 44 L C 1.619 178.597 176.870 0.180 0.000 1.065 44 L CA 0.440 55.337 54.840 0.094 0.000 0.806 44 L CB 1.752 43.875 42.059 0.106 0.000 1.175 44 L HN 0.747 nan 8.230 nan 0.000 0.431 45 S N 1.963 117.809 115.700 0.243 0.000 2.441 45 S HA -0.148 4.319 4.470 -0.005 0.000 0.242 45 S C 1.120 175.997 174.600 0.461 0.000 1.018 45 S CA 1.240 59.708 58.200 0.446 0.000 0.988 45 S CB -0.550 62.862 63.200 0.352 0.000 0.778 45 S HN 0.604 nan 8.310 nan 0.000 0.498 46 V N -1.376 118.714 119.914 0.294 0.000 3.483 46 V HA 0.310 4.427 4.120 -0.005 0.000 0.301 46 V C 0.219 176.382 176.094 0.115 0.000 1.389 46 V CA -0.280 62.119 62.300 0.164 0.000 1.101 46 V CB -0.586 31.277 31.823 0.066 0.000 0.971 46 V HN 0.258 nan 8.190 nan 0.000 0.434 47 D N 2.348 122.862 120.400 0.189 0.000 2.472 47 D HA 0.107 4.743 4.640 -0.005 0.000 0.248 47 D C -1.168 175.177 176.300 0.074 0.000 1.174 47 D CA -1.383 52.691 54.000 0.123 0.000 0.883 47 D CB 1.789 42.680 40.800 0.152 0.000 1.149 47 D HN 0.140 nan 8.370 nan 0.000 0.488 48 P HA -0.235 nan 4.420 nan 0.000 0.218 48 P C 1.228 178.428 177.300 -0.167 0.000 1.165 48 P CA 1.846 64.877 63.100 -0.116 0.000 0.922 48 P CB 0.137 31.768 31.700 -0.115 0.000 0.794 49 R N -2.227 118.133 120.500 -0.234 0.000 2.096 49 R HA -0.180 4.157 4.340 -0.005 0.000 0.240 49 R C 2.279 178.311 176.300 -0.446 0.000 1.139 49 R CA 1.524 57.307 56.100 -0.529 0.000 0.952 49 R CB -1.253 28.510 30.300 -0.896 0.000 0.854 49 R HN 0.173 nan 8.270 nan 0.000 0.436 50 F N 1.148 120.948 119.950 -0.249 0.000 2.075 50 F HA -0.120 4.404 4.527 -0.006 0.000 0.297 50 F C 1.843 177.695 175.800 0.086 0.000 1.113 50 F CA 1.360 59.419 58.000 0.098 0.000 1.218 50 F CB -0.508 38.645 39.000 0.254 0.000 0.984 50 F HN -0.084 nan 8.300 nan 0.000 0.472 51 L N -0.806 120.360 121.223 -0.094 0.000 2.042 51 L HA -0.276 4.061 4.340 -0.005 0.000 0.210 51 L C 2.762 179.466 176.870 -0.277 0.000 1.076 51 L CA 1.716 56.355 54.840 -0.335 0.000 0.749 51 L CB -1.097 40.674 42.059 -0.481 0.000 0.893 51 L HN 0.237 nan 8.230 nan 0.000 0.432 52 S N -0.179 115.393 115.700 -0.213 0.000 2.370 52 S HA -0.256 4.211 4.470 -0.005 0.000 0.226 52 S C 1.981 176.532 174.600 -0.082 0.000 1.033 52 S CA 1.491 59.596 58.200 -0.158 0.000 1.011 52 S CB -0.394 62.697 63.200 -0.182 0.000 0.852 52 S HN 0.418 nan 8.310 nan 0.000 0.457 53 F N 2.601 122.401 119.950 -0.249 0.000 2.069 53 F HA -0.049 4.475 4.527 -0.005 0.000 0.298 53 F C 2.183 177.895 175.800 -0.146 0.000 1.113 53 F CA 1.879 59.766 58.000 -0.187 0.000 1.214 53 F CB -0.630 38.285 39.000 -0.143 0.000 0.978 53 F HN 0.097 nan 8.300 nan 0.000 0.474 54 K N 0.344 120.500 120.400 -0.407 0.000 2.044 54 K HA -0.298 4.018 4.320 -0.005 0.000 0.210 54 K C 1.942 178.474 176.600 -0.114 0.000 1.049 54 K CA 1.926 57.990 56.287 -0.372 0.000 0.927 54 K CB -1.060 31.396 32.500 -0.074 0.000 0.713 54 K HN 0.400 nan 8.250 nan 0.000 0.443 55 N N 1.180 119.934 118.700 0.089 0.000 2.104 55 N HA -0.217 4.520 4.740 -0.005 0.000 0.190 55 N C 1.809 177.352 175.510 0.055 0.000 1.024 55 N CA 1.796 54.935 53.050 0.149 0.000 0.853 55 N CB 0.034 38.626 38.487 0.175 0.000 1.008 55 N HN 0.337 nan 8.380 nan 0.000 0.424 56 E N -0.607 119.587 120.200 -0.010 0.000 2.028 56 E HA -0.150 4.197 4.350 -0.005 0.000 0.190 56 E C 1.946 178.564 176.600 0.029 0.000 0.984 56 E CA 0.702 57.120 56.400 0.030 0.000 0.800 56 E CB -0.275 29.437 29.700 0.020 0.000 0.758 56 E HN 0.317 nan 8.360 nan 0.000 0.448 57 L N 1.480 122.607 121.223 -0.160 0.000 2.013 57 L HA -0.232 4.105 4.340 -0.005 0.000 0.212 57 L C 2.533 179.408 176.870 0.009 0.000 1.073 57 L CA 2.523 57.267 54.840 -0.159 0.000 0.753 57 L CB -0.893 40.832 42.059 -0.557 0.000 0.890 57 L HN 0.332 nan 8.230 nan 0.000 0.432 58 S N -0.489 115.218 115.700 0.011 0.000 2.359 58 S HA -0.309 4.157 4.470 -0.005 0.000 0.222 58 S C 2.098 176.922 174.600 0.373 0.000 1.038 58 S CA 1.576 59.902 58.200 0.209 0.000 1.051 58 S CB -0.799 62.531 63.200 0.217 0.000 0.944 58 S HN 0.523 nan 8.310 nan 0.000 0.433 59 R N -0.128 120.596 120.500 0.373 0.000 2.070 59 R HA -0.049 4.287 4.340 -0.005 0.000 0.233 59 R C 2.382 178.870 176.300 0.313 0.000 1.137 59 R CA 1.664 58.017 56.100 0.423 0.000 0.945 59 R CB -0.804 29.686 30.300 0.316 0.000 0.845 59 R HN 0.566 nan 8.270 nan 0.000 0.430 60 Y N 1.693 122.106 120.300 0.188 0.000 2.030 60 Y HA -0.256 4.291 4.550 -0.006 0.000 0.274 60 Y C 2.030 178.087 175.900 0.262 0.000 1.153 60 Y CA 1.743 59.970 58.100 0.211 0.000 1.115 60 Y CB -0.406 38.109 38.460 0.092 0.000 0.969 60 Y HN -0.042 nan 8.280 nan 0.000 0.488 61 L N -0.618 120.776 121.223 0.284 0.000 2.187 61 L HA -0.267 4.070 4.340 -0.005 0.000 0.213 61 L C 2.141 179.130 176.870 0.197 0.000 1.100 61 L CA 1.826 56.741 54.840 0.125 0.000 0.765 61 L CB -0.791 40.949 42.059 -0.531 0.000 0.904 61 L HN 0.357 nan 8.230 nan 0.000 0.437 62 T N -1.877 112.826 114.554 0.247 0.000 2.896 62 T HA -0.101 4.246 4.350 -0.005 0.000 0.263 62 T C 1.326 176.067 174.700 0.070 0.000 1.050 62 T CA 0.919 63.163 62.100 0.240 0.000 1.140 62 T CB -0.118 68.780 68.868 0.051 0.000 0.877 62 T HN 0.245 nan 8.240 nan 0.000 0.457 63 D N 0.607 120.985 120.400 -0.035 0.000 2.269 63 D HA -0.012 4.625 4.640 -0.005 0.000 0.208 63 D C 1.361 177.320 176.300 -0.570 0.000 0.963 63 D CA 0.961 54.802 54.000 -0.266 0.000 0.864 63 D CB -0.082 40.509 40.800 -0.347 0.000 0.936 63 D HN 0.516 nan 8.370 nan 0.000 0.505 64 H N -2.161 116.618 119.070 -0.486 0.000 2.827 64 H HA 0.269 4.822 4.556 -0.006 0.000 0.269 64 H C -0.277 174.391 175.328 -1.100 0.000 1.031 64 H CA 0.095 55.633 56.048 -0.851 0.000 1.202 64 H CB 0.408 29.423 29.762 -1.246 0.000 1.511 64 H HN -0.054 nan 8.280 nan 0.000 0.517 65 F N 0.506 120.510 119.950 0.090 0.000 2.593 65 F HA 0.335 4.859 4.527 -0.006 0.000 0.336 65 F C -2.559 173.338 175.800 0.162 0.000 1.491 65 F CA -2.904 55.187 58.000 0.151 0.000 1.114 65 F CB 0.617 39.741 39.000 0.208 0.000 1.468 65 F HN -0.149 nan 8.300 nan 0.000 0.579 66 P HA 0.012 nan 4.420 nan 0.000 0.267 66 P C 0.061 177.403 177.300 0.070 0.000 1.195 66 P CA 0.199 63.344 63.100 0.075 0.000 0.773 66 P CB 0.722 32.441 31.700 0.032 0.000 0.837 67 A N 2.647 125.475 122.820 0.012 0.000 2.351 67 A HA 0.232 4.549 4.320 -0.005 0.000 0.257 67 A C 0.100 177.645 177.584 -0.066 0.000 1.087 67 A CA -0.242 51.777 52.037 -0.030 0.000 0.798 67 A CB -0.161 18.818 19.000 -0.036 0.000 1.033 67 A HN 0.631 nan 8.150 nan 0.000 0.488 68 N N 0.716 119.296 118.700 -0.198 0.000 2.841 68 N HA 0.422 5.159 4.740 -0.005 0.000 0.257 68 N C -1.585 173.653 175.510 -0.454 0.000 1.396 68 N CA -0.236 52.490 53.050 -0.540 0.000 0.823 68 N CB 1.482 39.302 38.487 -1.112 0.000 1.162 68 N HN 0.329 nan 8.380 nan 0.000 0.503 69 V N 1.322 121.224 119.914 -0.020 0.000 2.540 69 V HA 0.213 4.330 4.120 -0.005 0.000 0.302 69 V C -0.126 176.119 176.094 0.250 0.000 1.035 69 V CA -0.932 61.419 62.300 0.085 0.000 0.873 69 V CB 1.811 33.573 31.823 -0.101 0.000 0.992 69 V HN 0.513 nan 8.190 nan 0.000 0.428 70 D N 2.484 123.064 120.400 0.299 0.000 2.433 70 D HA 0.118 4.755 4.640 -0.005 0.000 0.255 70 D C 1.014 177.411 176.300 0.162 0.000 1.226 70 D CA -0.523 53.610 54.000 0.222 0.000 1.015 70 D CB 0.660 41.547 40.800 0.144 0.000 1.091 70 D HN 0.664 nan 8.370 nan 0.000 0.527 71 E N -1.089 119.170 120.200 0.099 0.000 2.333 71 E HA -0.244 4.103 4.350 -0.005 0.000 0.200 71 E C 0.536 176.969 176.600 -0.278 0.000 1.010 71 E CA 1.067 57.444 56.400 -0.039 0.000 0.841 71 E CB -0.614 28.983 29.700 -0.170 0.000 0.757 71 E HN 0.501 nan 8.360 nan 0.000 0.508 72 Y N 0.176 120.406 120.300 -0.117 0.000 2.625 72 Y HA 0.304 4.851 4.550 -0.005 0.000 0.285 72 Y C 1.495 177.433 175.900 0.065 0.000 1.168 72 Y CA 0.025 57.953 58.100 -0.287 0.000 1.250 72 Y CB 0.838 39.008 38.460 -0.484 0.000 1.130 72 Y HN 0.140 nan 8.280 nan 0.000 0.526 73 G N 0.972 109.922 108.800 0.250 0.000 2.166 73 G HA2 -0.348 3.608 3.960 -0.005 0.000 0.260 73 G HA3 -0.348 3.608 3.960 -0.005 0.000 0.260 73 G C 0.378 175.383 174.900 0.175 0.000 0.986 73 G CA -0.178 45.044 45.100 0.202 0.000 0.683 73 G HN 0.372 nan 8.290 nan 0.000 0.527 74 R N -0.225 120.400 120.500 0.209 0.000 2.298 74 R HA 0.449 4.786 4.340 -0.005 0.000 0.310 74 R C 0.365 176.826 176.300 0.268 0.000 1.068 74 R CA -0.142 56.098 56.100 0.234 0.000 0.957 74 R CB 1.798 32.094 30.300 -0.008 0.000 1.003 74 R HN 0.290 nan 8.270 nan 0.000 0.454 75 V N 6.130 126.218 119.914 0.290 0.000 2.465 75 V HA 0.384 4.500 4.120 -0.005 0.000 0.279 75 V C -0.901 175.346 176.094 0.255 0.000 1.045 75 V CA -0.093 62.312 62.300 0.174 0.000 0.938 75 V CB 0.412 32.291 31.823 0.093 0.000 0.986 75 V HN 0.748 nan 8.190 nan 0.000 0.467 76 Y N 4.725 125.109 120.300 0.140 0.000 2.944 76 Y HA 0.937 5.484 4.550 -0.006 0.000 0.312 76 Y C 0.906 176.871 175.900 0.108 0.000 1.417 76 Y CA -0.383 57.797 58.100 0.134 0.000 1.105 76 Y CB 0.518 39.050 38.460 0.121 0.000 1.364 76 Y HN 1.241 nan 8.280 nan 0.000 0.540 77 G N 1.522 110.462 108.800 0.233 0.000 2.660 77 G HA2 -0.480 3.477 3.960 -0.005 0.000 0.321 77 G HA3 -0.480 3.477 3.960 -0.005 0.000 0.321 77 G C 0.729 175.652 174.900 0.038 0.000 1.246 77 G CA 1.019 46.187 45.100 0.112 0.000 1.000 77 G HN 1.478 nan 8.290 nan 0.000 0.550 78 N N 2.222 120.927 118.700 0.008 0.000 2.609 78 N HA 0.212 4.949 4.740 -0.005 0.000 0.190 78 N C 1.813 177.356 175.510 0.055 0.000 1.157 78 N CA 1.178 54.274 53.050 0.077 0.000 0.918 78 N CB -0.145 38.432 38.487 0.149 0.000 0.978 78 N HN 2.183 nan 8.380 nan 0.000 0.448 79 G N 0.178 108.976 108.800 -0.004 0.000 2.189 79 G HA2 -0.313 3.644 3.960 -0.005 0.000 0.267 79 G HA3 -0.313 3.644 3.960 -0.005 0.000 0.267 79 G C 0.111 175.025 174.900 0.023 0.000 0.975 79 G CA 0.387 45.498 45.100 0.019 0.000 0.644 79 G HN 0.267 nan 8.290 nan 0.000 0.537 80 V N 1.334 121.264 119.914 0.026 0.000 2.572 80 V HA 0.391 4.507 4.120 -0.005 0.000 0.291 80 V C 1.557 177.622 176.094 -0.048 0.000 1.039 80 V CA 1.011 63.327 62.300 0.027 0.000 1.055 80 V CB 1.337 33.229 31.823 0.115 0.000 0.969 80 V HN 0.637 nan 8.190 nan 0.000 0.482 81 R N 2.478 122.936 120.500 -0.071 0.000 2.437 81 R HA 0.349 4.686 4.340 -0.005 0.000 0.257 81 R C 0.442 176.696 176.300 -0.077 0.000 0.927 81 R CA 0.283 56.348 56.100 -0.058 0.000 1.078 81 R CB 0.880 31.170 30.300 -0.017 0.000 1.161 81 R HN 0.669 nan 8.270 nan 0.000 0.529 82 T N -0.130 114.312 114.554 -0.187 0.000 2.677 82 T HA 0.183 4.529 4.350 -0.005 0.000 0.305 82 T C -1.629 172.800 174.700 -0.452 0.000 1.569 82 T CA -0.738 61.233 62.100 -0.215 0.000 0.984 82 T CB 0.886 69.664 68.868 -0.149 0.000 1.629 82 T HN 0.437 nan 8.240 nan 0.000 0.494 83 N N 0.010 118.450 118.700 -0.434 0.000 2.327 83 N HA 0.365 5.101 4.740 -0.005 0.000 0.257 83 N C -0.072 174.959 175.510 -0.797 0.000 1.281 83 N CA -0.216 52.444 53.050 -0.650 0.000 0.942 83 N CB 0.032 38.040 38.487 -0.798 0.000 1.199 83 N HN 0.474 nan 8.380 nan 0.000 0.532 84 F N -1.659 118.041 119.950 -0.416 0.000 2.684 84 F HA 0.386 4.910 4.527 -0.005 0.000 0.298 84 F C 0.324 176.108 175.800 -0.026 0.000 1.120 84 F CA -0.538 57.372 58.000 -0.151 0.000 1.332 84 F CB -0.442 38.535 39.000 -0.039 0.000 0.986 84 F HN 0.384 nan 8.300 nan 0.000 0.524 85 F N -0.418 119.571 119.950 0.063 0.000 2.802 85 F HA 0.047 4.570 4.527 -0.006 0.000 0.300 85 F C 2.315 178.033 175.800 -0.138 0.000 1.168 85 F CA 0.086 58.036 58.000 -0.083 0.000 1.433 85 F CB -0.330 38.615 39.000 -0.092 0.000 1.115 85 F HN 0.205 nan 8.300 nan 0.000 0.582 86 G N 1.792 110.680 108.800 0.146 0.000 2.442 86 G HA2 -0.315 3.641 3.960 -0.005 0.000 0.219 86 G HA3 -0.315 3.641 3.960 -0.005 0.000 0.219 86 G C 1.657 176.680 174.900 0.204 0.000 1.141 86 G CA 0.965 46.169 45.100 0.174 0.000 0.763 86 G HN 0.473 nan 8.290 nan 0.000 0.554 87 M N -0.131 119.560 119.600 0.152 0.000 2.539 87 M HA 0.122 4.598 4.480 -0.005 0.000 0.261 87 M C 1.673 177.971 176.300 -0.003 0.000 1.069 87 M CA 1.028 56.413 55.300 0.142 0.000 1.081 87 M CB -0.261 32.422 32.600 0.138 0.000 1.412 87 M HN -0.029 nan 8.290 nan 0.000 0.482 88 R N 1.174 121.489 120.500 -0.308 0.000 2.526 88 R HA 0.126 4.463 4.340 -0.005 0.000 0.223 88 R C -0.343 175.596 176.300 -0.602 0.000 1.250 88 R CA 0.105 55.637 56.100 -0.946 0.000 1.227 88 R CB -0.652 28.883 30.300 -1.276 0.000 1.109 88 R HN 0.541 nan 8.270 nan 0.000 0.499 89 H N 0.421 119.508 119.070 0.028 0.000 2.502 89 H HA 0.231 4.784 4.556 -0.006 0.000 0.338 89 H C 0.574 176.091 175.328 0.316 0.000 1.155 89 H CA -0.516 55.647 56.048 0.192 0.000 1.237 89 H CB 1.544 31.396 29.762 0.150 0.000 1.534 89 H HN -0.118 nan 8.280 nan 0.000 0.523 90 M N 2.748 122.619 119.600 0.451 0.000 3.396 90 M HA 0.057 4.534 4.480 -0.005 0.000 0.255 90 M C -0.192 176.369 176.300 0.435 0.000 1.398 90 M CA -0.520 55.013 55.300 0.388 0.000 1.554 90 M CB -0.884 31.868 32.600 0.254 0.000 1.070 90 M HN 0.311 nan 8.290 nan 0.000 0.587 91 N N 2.392 121.305 118.700 0.356 0.000 2.256 91 N HA -0.000 4.737 4.740 -0.005 0.000 0.277 91 N C 1.278 176.896 175.510 0.180 0.000 1.362 91 N CA 1.135 54.329 53.050 0.240 0.000 0.861 91 N CB 0.330 38.952 38.487 0.225 0.000 1.136 91 N HN 0.927 nan 8.380 nan 0.000 0.492 92 G N 1.123 109.929 108.800 0.010 0.000 2.336 92 G HA2 -0.198 3.759 3.960 -0.005 0.000 0.194 92 G HA3 -0.198 3.759 3.960 -0.005 0.000 0.194 92 G C -0.432 174.064 174.900 -0.674 0.000 0.999 92 G CA -0.621 44.281 45.100 -0.330 0.000 0.669 92 G HN 0.404 nan 8.290 nan 0.000 0.482 93 F N 3.623 123.576 119.950 0.004 0.000 2.366 93 F HA 0.499 5.022 4.527 -0.007 0.000 0.366 93 F C -1.796 174.052 175.800 0.080 0.000 1.096 93 F CA -2.607 55.410 58.000 0.028 0.000 1.060 93 F CB 1.984 40.999 39.000 0.025 0.000 1.282 93 F HN -0.118 nan 8.300 nan 0.000 0.450 94 P HA 0.129 nan 4.420 nan 0.000 0.274 94 P C -0.360 177.054 177.300 0.190 0.000 1.231 94 P CA -0.488 62.690 63.100 0.130 0.000 0.790 94 P CB 1.189 32.926 31.700 0.062 0.000 0.951 95 M N 1.842 121.525 119.600 0.139 0.000 2.248 95 M HA 0.307 4.784 4.480 -0.005 0.000 0.345 95 M C -0.431 175.935 176.300 0.109 0.000 1.243 95 M CA 0.442 55.821 55.300 0.131 0.000 1.090 95 M CB -0.289 32.366 32.600 0.091 0.000 1.683 95 M HN 0.058 nan 8.290 nan 0.000 0.450 96 I N 4.701 125.333 120.570 0.105 0.000 2.377 96 I HA 0.596 4.763 4.170 -0.005 0.000 0.293 96 I C -2.159 174.009 176.117 0.085 0.000 0.987 96 I CA -2.553 58.784 61.300 0.061 0.000 1.185 96 I CB 1.002 39.007 38.000 0.008 0.000 1.341 96 I HN 0.633 nan 8.210 nan 0.000 0.455 97 P HA 0.525 nan 4.420 nan 0.000 0.292 97 P C -0.944 176.327 177.300 -0.047 0.000 1.304 97 P CA -0.554 62.564 63.100 0.029 0.000 0.848 97 P CB 1.945 33.715 31.700 0.116 0.000 1.260 98 A N -0.115 122.601 122.820 -0.173 0.000 2.259 98 A HA 0.501 4.818 4.320 -0.005 0.000 0.278 98 A C 0.414 177.909 177.584 -0.149 0.000 1.107 98 A CA -0.144 51.731 52.037 -0.271 0.000 0.828 98 A CB -0.529 17.969 19.000 -0.836 0.000 1.111 98 A HN 0.512 nan 8.150 nan 0.000 0.498 99 T N -0.647 113.885 114.554 -0.037 0.000 2.913 99 T HA 0.389 4.736 4.350 -0.005 0.000 0.287 99 T C -0.785 173.989 174.700 0.123 0.000 1.008 99 T CA -0.034 62.095 62.100 0.048 0.000 1.067 99 T CB 0.025 68.912 68.868 0.030 0.000 0.996 99 T HN 0.392 nan 8.240 nan 0.000 0.513 100 W N 4.748 126.106 121.300 0.098 0.000 2.316 100 W HA 0.401 5.066 4.660 0.009 0.000 0.321 100 W C -1.903 174.663 176.519 0.079 0.000 1.203 100 W CA -1.961 55.463 57.345 0.130 0.000 1.214 100 W CB 0.700 30.237 29.460 0.129 0.000 1.169 100 W HN 0.453 nan 8.180 nan 0.000 0.561 101 P HA 0.093 nan 4.420 nan 0.000 0.287 101 P C -0.625 176.741 177.300 0.110 0.000 1.281 101 P CA -0.410 62.751 63.100 0.101 0.000 0.781 101 P CB 1.011 32.715 31.700 0.007 0.000 0.903 102 L N 3.342 124.605 121.223 0.066 0.000 2.540 102 L HA -0.014 4.323 4.340 -0.005 0.000 0.276 102 L C 1.837 178.701 176.870 -0.009 0.000 1.212 102 L CA 0.738 55.593 54.840 0.024 0.000 0.893 102 L CB -0.350 41.703 42.059 -0.009 0.000 1.138 102 L HN 0.503 nan 8.230 nan 0.000 0.491 103 A N 2.386 125.188 122.820 -0.030 0.000 2.021 103 A HA 0.097 4.414 4.320 -0.005 0.000 0.216 103 A C 1.084 178.645 177.584 -0.038 0.000 1.163 103 A CA 0.928 52.948 52.037 -0.028 0.000 0.676 103 A CB 0.012 18.988 19.000 -0.040 0.000 0.818 103 A HN 0.587 nan 8.150 nan 0.000 0.453 104 S N -0.041 115.626 115.700 -0.056 0.000 2.557 104 S HA 0.413 4.879 4.470 -0.005 0.000 0.291 104 S C -0.156 174.407 174.600 -0.061 0.000 1.116 104 S CA -0.435 57.734 58.200 -0.051 0.000 0.992 104 S CB 0.829 63.996 63.200 -0.054 0.000 1.028 104 S HN 0.468 nan 8.310 nan 0.000 0.484 105 N N 5.569 124.239 118.700 -0.049 0.000 2.238 105 N HA 0.140 4.877 4.740 -0.005 0.000 0.222 105 N C 0.966 176.462 175.510 -0.025 0.000 1.133 105 N CA -0.170 52.839 53.050 -0.068 0.000 0.854 105 N CB -0.281 38.151 38.487 -0.090 0.000 1.041 105 N HN 0.581 nan 8.380 nan 0.000 0.510 106 L N 0.258 121.476 121.223 -0.007 0.000 2.027 106 L HA -0.030 4.307 4.340 -0.005 0.000 0.206 106 L C 2.551 179.440 176.870 0.032 0.000 1.074 106 L CA 1.212 56.068 54.840 0.027 0.000 0.745 106 L CB -0.343 41.728 42.059 0.020 0.000 0.898 106 L HN 0.220 nan 8.230 nan 0.000 0.433 107 K N 0.816 121.214 120.400 -0.003 0.000 2.097 107 K HA -0.245 4.072 4.320 -0.005 0.000 0.206 107 K C 2.218 178.839 176.600 0.035 0.000 1.049 107 K CA 1.467 57.755 56.287 0.001 0.000 0.933 107 K CB 0.038 32.512 32.500 -0.044 0.000 0.717 107 K HN 0.088 nan 8.250 nan 0.000 0.442 108 K N 0.635 121.045 120.400 0.018 0.000 2.009 108 K HA -0.179 4.138 4.320 -0.005 0.000 0.210 108 K C 2.174 178.907 176.600 0.221 0.000 1.049 108 K CA 1.571 57.885 56.287 0.046 0.000 0.929 108 K CB -0.017 32.403 32.500 -0.133 0.000 0.714 108 K HN 0.109 nan 8.250 nan 0.000 0.440 109 R N -0.141 120.501 120.500 0.237 0.000 2.081 109 R HA -0.110 4.227 4.340 -0.005 0.000 0.235 109 R C 2.415 178.846 176.300 0.219 0.000 1.131 109 R CA 1.258 57.569 56.100 0.352 0.000 0.960 109 R CB -0.342 30.122 30.300 0.274 0.000 0.856 109 R HN 0.282 nan 8.270 nan 0.000 0.436 110 A N 1.526 124.433 122.820 0.145 0.000 1.858 110 A HA -0.170 4.147 4.320 -0.005 0.000 0.216 110 A C 1.391 179.031 177.584 0.093 0.000 1.190 110 A CA 1.672 53.766 52.037 0.096 0.000 0.617 110 A CB -0.453 18.586 19.000 0.065 0.000 0.827 110 A HN 0.160 nan 8.150 nan 0.000 0.443 111 D N -0.168 120.292 120.400 0.101 0.000 2.407 111 D HA 0.143 4.780 4.640 -0.005 0.000 0.234 111 D C 1.030 177.400 176.300 0.117 0.000 1.029 111 D CA 1.004 55.061 54.000 0.095 0.000 0.937 111 D CB -0.028 40.828 40.800 0.093 0.000 0.882 111 D HN 0.437 nan 8.370 nan 0.000 0.531 112 A N 0.099 123.000 122.820 0.135 0.000 2.603 112 A HA 0.119 4.435 4.320 -0.005 0.000 0.277 112 A C 0.171 177.786 177.584 0.051 0.000 1.158 112 A CA -0.304 51.800 52.037 0.112 0.000 0.962 112 A CB 0.507 19.608 19.000 0.168 0.000 1.189 112 A HN -0.083 nan 8.150 nan 0.000 0.552 113 D N -0.099 120.332 120.400 0.052 0.000 2.772 113 D HA -0.143 4.494 4.640 -0.005 0.000 0.233 113 D C -0.347 175.959 176.300 0.011 0.000 1.143 113 D CA 0.948 54.963 54.000 0.025 0.000 0.700 113 D CB -1.248 39.559 40.800 0.012 0.000 1.076 113 D HN 0.486 nan 8.370 nan 0.000 0.430 114 L N 0.018 121.265 121.223 0.041 0.000 2.309 114 L HA 0.578 4.914 4.340 -0.005 0.000 0.282 114 L C 1.152 178.073 176.870 0.085 0.000 1.036 114 L CA -0.807 54.062 54.840 0.048 0.000 0.806 114 L CB 1.502 43.601 42.059 0.066 0.000 1.220 114 L HN 0.035 nan 8.230 nan 0.000 0.429 115 A N 1.665 124.518 122.820 0.055 0.000 2.520 115 A HA 0.076 4.392 4.320 -0.005 0.000 0.235 115 A C 0.489 178.179 177.584 0.177 0.000 1.065 115 A CA -0.121 51.937 52.037 0.035 0.000 0.764 115 A CB 0.004 18.944 19.000 -0.101 0.000 1.002 115 A HN 0.842 nan 8.150 nan 0.000 0.502 116 D N 0.514 120.914 120.400 -0.000 0.000 2.395 116 D HA 0.427 5.064 4.640 -0.005 0.000 0.226 116 D C 0.366 176.284 176.300 -0.638 0.000 1.146 116 D CA 0.564 54.567 54.000 0.005 0.000 0.830 116 D CB -0.202 40.606 40.800 0.014 0.000 0.958 116 D HN 0.928 nan 8.370 nan 0.000 0.501 117 G N -0.473 107.611 108.800 -1.194 0.000 2.313 117 G HA2 0.353 4.310 3.960 -0.005 0.000 0.296 117 G HA3 0.353 4.310 3.960 -0.005 0.000 0.296 117 G C -3.254 170.934 174.900 -1.187 0.000 1.356 117 G CA -1.126 42.859 45.100 -1.857 0.000 0.833 117 G HN -0.108 nan 8.290 nan 0.000 0.552 118 P HA 0.230 nan 4.420 nan 0.000 0.268 118 P C 1.267 178.518 177.300 -0.080 0.000 1.204 118 P CA -0.054 62.938 63.100 -0.180 0.000 0.768 118 P CB 1.382 33.034 31.700 -0.080 0.000 0.842 119 V N 1.163 121.108 119.914 0.050 0.000 2.951 119 V HA 0.049 4.166 4.120 -0.005 0.000 0.255 119 V C 0.525 176.596 176.094 -0.038 0.000 1.088 119 V CA 1.588 63.846 62.300 -0.070 0.000 1.109 119 V CB -0.554 31.182 31.823 -0.145 0.000 0.724 119 V HN 0.597 nan 8.190 nan 0.000 0.471 120 S N -1.473 114.238 115.700 0.018 0.000 2.569 120 S HA 0.527 4.994 4.470 -0.005 0.000 0.280 120 S C 0.444 175.049 174.600 0.009 0.000 1.111 120 S CA 0.137 58.336 58.200 -0.002 0.000 0.887 120 S CB 1.939 65.135 63.200 -0.007 0.000 1.095 120 S HN 0.183 nan 8.310 nan 0.000 0.476 121 E N 1.604 121.796 120.200 -0.013 0.000 2.118 121 E HA -0.171 4.176 4.350 -0.005 0.000 0.195 121 E C 1.956 178.552 176.600 -0.007 0.000 0.992 121 E CA 1.804 58.197 56.400 -0.011 0.000 0.804 121 E CB -0.206 29.480 29.700 -0.023 0.000 0.741 121 E HN 0.685 nan 8.360 nan 0.000 0.458 122 R N 0.170 120.656 120.500 -0.023 0.000 2.082 122 R HA -0.176 4.161 4.340 -0.005 0.000 0.234 122 R C 1.554 177.837 176.300 -0.027 0.000 1.136 122 R CA 2.094 58.165 56.100 -0.048 0.000 0.935 122 R CB -0.421 29.833 30.300 -0.078 0.000 0.842 122 R HN 0.168 nan 8.270 nan 0.000 0.430 123 D N 0.119 120.533 120.400 0.022 0.000 2.116 123 D HA -0.202 4.435 4.640 -0.005 0.000 0.193 123 D C 1.587 177.990 176.300 0.171 0.000 0.998 123 D CA 1.655 55.696 54.000 0.068 0.000 0.836 123 D CB -0.681 40.281 40.800 0.271 0.000 0.951 123 D HN 0.353 nan 8.370 nan 0.000 0.449 124 N N 0.028 118.839 118.700 0.184 0.000 2.094 124 N HA -0.143 4.593 4.740 -0.005 0.000 0.191 124 N C 1.768 177.366 175.510 0.147 0.000 1.023 124 N CA 0.934 54.100 53.050 0.194 0.000 0.857 124 N CB -0.280 38.248 38.487 0.070 0.000 1.013 124 N HN 0.120 nan 8.380 nan 0.000 0.426 125 L N -0.082 121.176 121.223 0.059 0.000 2.046 125 L HA -0.161 4.176 4.340 -0.005 0.000 0.208 125 L C 2.266 179.139 176.870 0.005 0.000 1.077 125 L CA 0.905 55.760 54.840 0.024 0.000 0.747 125 L CB -0.442 41.608 42.059 -0.014 0.000 0.896 125 L HN 0.278 nan 8.230 nan 0.000 0.432 126 L N -1.539 119.651 121.223 -0.056 0.000 1.994 126 L HA -0.239 4.098 4.340 -0.005 0.000 0.208 126 L C 2.486 179.278 176.870 -0.131 0.000 1.071 126 L CA 1.545 56.291 54.840 -0.156 0.000 0.745 126 L CB -0.681 41.207 42.059 -0.286 0.000 0.892 126 L HN 0.072 nan 8.230 nan 0.000 0.431 127 F N 0.086 120.038 119.950 0.004 0.000 2.065 127 F HA -0.287 4.237 4.527 -0.005 0.000 0.298 127 F C 2.825 178.651 175.800 0.043 0.000 1.112 127 F CA 1.473 59.496 58.000 0.038 0.000 1.212 127 F CB -0.409 38.625 39.000 0.056 0.000 0.975 127 F HN -0.094 nan 8.300 nan 0.000 0.476 128 R N 0.080 120.716 120.500 0.226 0.000 2.091 128 R HA -0.182 4.155 4.340 -0.005 0.000 0.238 128 R C 2.440 178.793 176.300 0.087 0.000 1.136 128 R CA 1.217 57.394 56.100 0.127 0.000 0.959 128 R CB -0.835 29.518 30.300 0.088 0.000 0.856 128 R HN 0.328 nan 8.270 nan 0.000 0.437 129 A N 1.282 124.128 122.820 0.043 0.000 1.883 129 A HA -0.194 4.123 4.320 -0.005 0.000 0.217 129 A C 2.407 179.996 177.584 0.008 0.000 1.186 129 A CA 1.881 53.917 52.037 -0.003 0.000 0.624 129 A CB -0.887 18.067 19.000 -0.077 0.000 0.822 129 A HN 0.423 nan 8.150 nan 0.000 0.444 130 A N -0.641 122.186 122.820 0.012 0.000 1.908 130 A HA -0.053 4.264 4.320 -0.005 0.000 0.218 130 A C 2.254 180.032 177.584 0.322 0.000 1.181 130 A CA 1.988 54.134 52.037 0.180 0.000 0.627 130 A CB -1.019 18.178 19.000 0.327 0.000 0.818 130 A HN 0.442 nan 8.150 nan 0.000 0.445 131 V N 0.032 120.090 119.914 0.239 0.000 2.261 131 V HA -0.303 3.814 4.120 -0.005 0.000 0.246 131 V C 2.643 178.886 176.094 0.248 0.000 1.047 131 V CA 2.315 64.741 62.300 0.209 0.000 1.015 131 V CB -0.871 30.953 31.823 0.001 0.000 0.642 131 V HN 0.550 nan 8.190 nan 0.000 0.446 132 R N -0.212 120.386 120.500 0.163 0.000 2.080 132 R HA -0.148 4.188 4.340 -0.005 0.000 0.236 132 R C 2.323 178.762 176.300 0.231 0.000 1.137 132 R CA 1.669 57.870 56.100 0.167 0.000 0.943 132 R CB -0.605 29.761 30.300 0.110 0.000 0.846 132 R HN 0.410 nan 8.270 nan 0.000 0.431 133 L N 0.162 121.529 121.223 0.241 0.000 2.083 133 L HA -0.176 4.161 4.340 -0.005 0.000 0.209 133 L C 2.588 179.698 176.870 0.400 0.000 1.083 133 L CA 1.307 56.349 54.840 0.336 0.000 0.752 133 L CB -0.337 41.919 42.059 0.329 0.000 0.899 133 L HN 0.299 nan 8.230 nan 0.000 0.433 134 M N -1.462 118.370 119.600 0.386 0.000 2.236 134 M HA -0.095 4.381 4.480 -0.005 0.000 0.266 134 M C 1.266 177.567 176.300 0.001 0.000 1.070 134 M CA 1.642 57.062 55.300 0.199 0.000 1.137 134 M CB -0.005 32.690 32.600 0.159 0.000 1.378 134 M HN 0.091 nan 8.290 nan 0.000 0.426 135 F N -0.154 119.831 119.950 0.058 0.000 2.641 135 F HA 0.120 4.643 4.527 -0.006 0.000 0.302 135 F C 2.181 178.065 175.800 0.141 0.000 1.098 135 F CA -0.119 57.910 58.000 0.048 0.000 1.318 135 F CB -0.686 38.243 39.000 -0.119 0.000 1.035 135 F HN 0.117 nan 8.300 nan 0.000 0.551 136 S N -0.760 115.085 115.700 0.242 0.000 2.309 136 S HA -0.056 4.411 4.470 -0.005 0.000 0.206 136 S C 0.688 175.337 174.600 0.083 0.000 1.028 136 S CA 0.809 59.112 58.200 0.173 0.000 0.972 136 S CB -0.376 62.916 63.200 0.153 0.000 0.961 136 S HN 0.192 nan 8.310 nan 0.000 0.449 137 D N 2.460 122.891 120.400 0.051 0.000 2.772 137 D HA 0.424 5.061 4.640 -0.005 0.000 0.273 137 D C -0.541 175.747 176.300 -0.021 0.000 1.233 137 D CA -0.071 53.932 54.000 0.005 0.000 0.984 137 D CB 0.210 41.014 40.800 0.006 0.000 1.000 137 D HN 0.351 nan 8.370 nan 0.000 0.514 138 L N 0.539 121.741 121.223 -0.035 0.000 2.436 138 L HA 0.208 4.544 4.340 -0.005 0.000 0.265 138 L C 0.908 177.744 176.870 -0.057 0.000 1.168 138 L CA -0.209 54.597 54.840 -0.057 0.000 0.815 138 L CB 0.709 42.724 42.059 -0.073 0.000 1.109 138 L HN -0.084 nan 8.230 nan 0.000 0.462 139 E N 2.482 122.651 120.200 -0.052 0.000 2.187 139 E HA 0.371 4.717 4.350 -0.005 0.000 0.268 139 E C -2.322 174.257 176.600 -0.035 0.000 0.896 139 E CA -2.024 54.351 56.400 -0.042 0.000 0.766 139 E CB 1.587 31.266 29.700 -0.035 0.000 1.142 139 E HN 0.309 nan 8.360 nan 0.000 0.408 140 P HA 0.135 nan 4.420 nan 0.000 0.271 140 P C -0.387 176.913 177.300 -0.000 0.000 1.218 140 P CA -0.252 62.845 63.100 -0.005 0.000 0.780 140 P CB 0.924 32.626 31.700 0.004 0.000 0.901 141 V N -1.215 118.705 119.914 0.011 0.000 3.147 141 V HA 0.604 4.720 4.120 -0.005 0.000 0.306 141 V C -2.869 173.237 176.094 0.021 0.000 1.209 141 V CA -2.762 59.542 62.300 0.007 0.000 1.023 141 V CB 1.617 33.436 31.823 -0.007 0.000 1.059 141 V HN 0.402 nan 8.190 nan 0.000 0.435 142 P HA 0.110 nan 4.420 nan 0.000 0.267 142 P C -0.404 176.917 177.300 0.035 0.000 1.200 142 P CA -0.038 63.080 63.100 0.030 0.000 0.772 142 P CB 1.003 32.721 31.700 0.030 0.000 0.855 143 L N 3.146 124.393 121.223 0.040 0.000 2.295 143 L HA 0.147 4.483 4.340 -0.005 0.000 0.288 143 L C 0.594 177.508 176.870 0.074 0.000 1.079 143 L CA -0.515 54.353 54.840 0.047 0.000 0.830 143 L CB 0.135 42.204 42.059 0.016 0.000 1.200 143 L HN 0.242 nan 8.230 nan 0.000 0.438 144 K N 5.958 126.405 120.400 0.078 0.000 2.218 144 K HA 0.483 4.800 4.320 -0.005 0.000 0.276 144 K C -0.558 176.118 176.600 0.127 0.000 1.022 144 K CA -0.227 56.119 56.287 0.098 0.000 0.946 144 K CB 1.793 34.335 32.500 0.070 0.000 1.000 144 K HN 0.554 nan 8.250 nan 0.000 0.468 145 I N 2.042 122.694 120.570 0.138 0.000 2.498 145 I HA 0.266 4.433 4.170 -0.005 0.000 0.290 145 I C 0.461 176.628 176.117 0.083 0.000 1.032 145 I CA -1.091 60.288 61.300 0.130 0.000 1.073 145 I CB 1.857 39.940 38.000 0.137 0.000 1.251 145 I HN 0.209 nan 8.210 nan 0.000 0.426 146 R N 5.445 125.972 120.500 0.046 0.000 2.491 146 R HA 0.207 4.543 4.340 -0.005 0.000 0.283 146 R C -0.434 175.867 176.300 0.002 0.000 1.072 146 R CA -0.261 55.855 56.100 0.026 0.000 1.048 146 R CB 0.687 30.992 30.300 0.007 0.000 0.983 146 R HN 0.498 nan 8.270 nan 0.000 0.450 147 K N 1.631 122.044 120.400 0.022 0.000 2.401 147 K HA 0.107 4.423 4.320 -0.005 0.000 0.278 147 K C 0.979 177.569 176.600 -0.018 0.000 1.018 147 K CA 0.856 57.154 56.287 0.018 0.000 0.981 147 K CB 0.661 33.189 32.500 0.046 0.000 0.933 147 K HN 0.871 nan 8.250 nan 0.000 0.477 148 G N 1.679 110.463 108.800 -0.028 0.000 2.396 148 G HA2 -0.364 3.592 3.960 -0.005 0.000 0.242 148 G HA3 -0.364 3.592 3.960 -0.005 0.000 0.242 148 G C 0.347 175.210 174.900 -0.062 0.000 1.069 148 G CA 0.637 45.712 45.100 -0.043 0.000 0.633 148 G HN 0.761 nan 8.290 nan 0.000 0.517 149 S N 0.099 115.754 115.700 -0.076 0.000 2.560 149 S HA 0.455 4.921 4.470 -0.005 0.000 0.276 149 S C 0.422 174.952 174.600 -0.117 0.000 1.350 149 S CA 0.917 59.064 58.200 -0.088 0.000 1.024 149 S CB 1.570 64.710 63.200 -0.101 0.000 0.864 149 S HN 1.749 nan 8.310 nan 0.000 0.536 150 S N 0.285 115.932 115.700 -0.089 0.000 2.489 150 S HA 0.414 4.881 4.470 -0.005 0.000 0.291 150 S C 1.415 175.900 174.600 -0.192 0.000 1.151 150 S CA -0.150 57.996 58.200 -0.090 0.000 1.082 150 S CB 0.873 64.091 63.200 0.029 0.000 1.019 150 S HN 1.018 nan 8.310 nan 0.000 0.492 151 T N 1.748 116.159 114.554 -0.237 0.000 2.995 151 T HA 0.055 4.402 4.350 -0.005 0.000 0.269 151 T C 1.245 175.776 174.700 -0.281 0.000 1.091 151 T CA 0.711 62.655 62.100 -0.260 0.000 1.128 151 T CB -1.396 67.401 68.868 -0.118 0.000 0.891 151 T HN 0.880 nan 8.240 nan 0.000 0.492 152 C N -0.081 118.916 119.300 -0.504 0.000 0.168 152 C HA -0.204 4.253 4.460 -0.005 0.000 0.017 152 C C 0.924 175.021 174.990 -1.488 0.000 0.171 152 C CA -1.162 57.134 59.018 -1.204 0.000 0.499 152 C CB -1.656 25.750 27.740 -0.556 0.000 3.212 152 C HN 0.776 nan 8.230 nan 0.000 1.118 153 I N 3.775 123.505 120.570 -1.400 0.000 2.906 153 I HA -0.026 4.140 4.170 -0.005 0.000 0.301 153 I C -0.560 175.247 176.117 -0.517 0.000 1.221 153 I CA 0.295 61.106 61.300 -0.816 0.000 1.435 153 I CB 0.393 38.085 38.000 -0.515 0.000 1.345 153 I HN 0.594 nan 8.210 nan 0.000 0.558 154 P HA -0.065 nan 4.420 nan 0.000 0.226 154 P C 1.147 178.266 177.300 -0.301 0.000 1.160 154 P CA 1.024 63.832 63.100 -0.488 0.000 0.837 154 P CB 0.234 31.586 31.700 -0.580 0.000 0.860 155 Y N -0.570 119.699 120.300 -0.051 0.000 2.263 155 Y HA 0.126 4.673 4.550 -0.005 0.000 0.292 155 Y C 1.035 177.061 175.900 0.210 0.000 1.130 155 Y CA 0.106 58.249 58.100 0.071 0.000 1.179 155 Y CB -1.543 36.922 38.460 0.007 0.000 0.998 155 Y HN -0.239 nan 8.280 nan 0.000 0.532 156 F N -0.105 119.884 119.950 0.064 0.000 3.071 156 F HA -0.252 4.271 4.527 -0.006 0.000 0.295 156 F C 0.676 176.481 175.800 0.009 0.000 0.919 156 F CA 0.471 58.468 58.000 -0.006 0.000 1.050 156 F CB -1.768 37.210 39.000 -0.038 0.000 1.040 156 F HN -0.064 nan 8.300 nan 0.000 0.692 157 S N -0.299 115.474 115.700 0.122 0.000 2.586 157 S HA 0.490 4.957 4.470 -0.005 0.000 0.274 157 S C 1.001 175.594 174.600 -0.011 0.000 1.281 157 S CA -0.303 57.931 58.200 0.057 0.000 1.035 157 S CB 1.002 64.217 63.200 0.026 0.000 0.962 157 S HN 0.354 nan 8.310 nan 0.000 0.512 158 N N 1.359 120.053 118.700 -0.011 0.000 2.197 158 N HA 0.149 4.886 4.740 -0.005 0.000 0.201 158 N C -0.733 174.752 175.510 -0.043 0.000 1.148 158 N CA -0.143 52.887 53.050 -0.035 0.000 0.883 158 N CB 0.372 38.851 38.487 -0.013 0.000 1.012 158 N HN 0.598 nan 8.380 nan 0.000 0.507 159 D N 0.979 121.358 120.400 -0.036 0.000 2.339 159 D HA -0.035 4.602 4.640 -0.005 0.000 0.256 159 D C 1.128 177.400 176.300 -0.047 0.000 1.214 159 D CA -0.164 53.816 54.000 -0.033 0.000 0.877 159 D CB 0.895 41.678 40.800 -0.027 0.000 1.111 159 D HN -0.053 nan 8.370 nan 0.000 0.478 160 M N 4.612 124.191 119.600 -0.035 0.000 2.108 160 M HA -0.058 4.418 4.480 -0.005 0.000 0.261 160 M C 1.859 178.121 176.300 -0.064 0.000 1.066 160 M CA 2.135 57.409 55.300 -0.043 0.000 1.107 160 M CB -0.813 31.785 32.600 -0.003 0.000 1.356 160 M HN 0.495 nan 8.290 nan 0.000 0.406 161 G N -1.602 107.166 108.800 -0.052 0.000 2.440 161 G HA2 -0.216 3.741 3.960 -0.005 0.000 0.218 161 G HA3 -0.216 3.741 3.960 -0.005 0.000 0.218 161 G C 1.450 176.319 174.900 -0.052 0.000 1.154 161 G CA 1.478 46.542 45.100 -0.060 0.000 0.767 161 G HN 0.510 nan 8.290 nan 0.000 0.552 162 T N 0.803 115.330 114.554 -0.046 0.000 2.737 162 T HA -0.052 4.295 4.350 -0.005 0.000 0.265 162 T C 2.342 177.040 174.700 -0.004 0.000 1.038 162 T CA 1.357 63.431 62.100 -0.043 0.000 1.144 162 T CB -0.174 68.659 68.868 -0.057 0.000 0.866 162 T HN 0.293 nan 8.240 nan 0.000 0.434 163 K N 0.711 121.103 120.400 -0.015 0.000 2.113 163 K HA -0.081 4.236 4.320 -0.005 0.000 0.208 163 K C 2.099 178.799 176.600 0.166 0.000 1.047 163 K CA 1.067 57.378 56.287 0.041 0.000 0.928 163 K CB -0.289 32.131 32.500 -0.134 0.000 0.716 163 K HN 0.301 nan 8.250 nan 0.000 0.446 164 I N 1.638 122.229 120.570 0.035 0.000 2.394 164 I HA -0.177 3.990 4.170 -0.005 0.000 0.251 164 I C 2.048 178.171 176.117 0.010 0.000 1.136 164 I CA 1.394 62.698 61.300 0.006 0.000 1.425 164 I CB -0.990 36.949 38.000 -0.102 0.000 1.079 164 I HN 0.243 nan 8.210 nan 0.000 0.425 165 E N 1.189 121.392 120.200 0.004 0.000 2.001 165 E HA -0.159 4.188 4.350 -0.005 0.000 0.193 165 E C 2.352 178.961 176.600 0.015 0.000 0.994 165 E CA 1.006 57.402 56.400 -0.008 0.000 0.815 165 E CB -0.184 29.501 29.700 -0.026 0.000 0.770 165 E HN 0.316 nan 8.360 nan 0.000 0.453 166 I N 1.643 122.248 120.570 0.057 0.000 2.141 166 I HA -0.409 3.757 4.170 -0.005 0.000 0.243 166 I C 2.614 178.739 176.117 0.012 0.000 1.035 166 I CA 1.645 63.007 61.300 0.102 0.000 1.302 166 I CB -0.486 37.676 38.000 0.270 0.000 1.006 166 I HN 0.153 nan 8.210 nan 0.000 0.413 167 A N 0.056 122.888 122.820 0.021 0.000 1.845 167 A HA -0.232 4.085 4.320 -0.005 0.000 0.215 167 A C 2.213 179.710 177.584 -0.146 0.000 1.195 167 A CA 1.885 53.821 52.037 -0.169 0.000 0.616 167 A CB -0.716 18.245 19.000 -0.065 0.000 0.832 167 A HN 0.487 nan 8.150 nan 0.000 0.443 168 E N -0.955 119.200 120.200 -0.075 0.000 2.058 168 E HA -0.271 4.076 4.350 -0.005 0.000 0.194 168 E C 2.292 178.847 176.600 -0.075 0.000 0.997 168 E CA 1.538 57.894 56.400 -0.073 0.000 0.801 168 E CB -0.182 29.494 29.700 -0.041 0.000 0.746 168 E HN 0.488 nan 8.360 nan 0.000 0.450 169 R N 1.213 121.681 120.500 -0.053 0.000 2.096 169 R HA -0.113 4.224 4.340 -0.005 0.000 0.235 169 R C 1.981 178.242 176.300 -0.065 0.000 1.127 169 R CA 1.608 57.685 56.100 -0.038 0.000 0.968 169 R CB -0.612 29.684 30.300 -0.007 0.000 0.861 169 R HN 0.152 nan 8.270 nan 0.000 0.440 170 A N 0.743 123.501 122.820 -0.103 0.000 1.908 170 A HA -0.096 4.220 4.320 -0.005 0.000 0.218 170 A C 2.196 179.675 177.584 -0.175 0.000 1.181 170 A CA 1.658 53.610 52.037 -0.142 0.000 0.627 170 A CB -0.628 18.246 19.000 -0.211 0.000 0.818 170 A HN 0.371 nan 8.150 nan 0.000 0.445 171 L N -1.047 120.031 121.223 -0.241 0.000 2.201 171 L HA -0.149 4.187 4.340 -0.005 0.000 0.212 171 L C 2.434 179.285 176.870 -0.032 0.000 1.105 171 L CA 1.345 55.998 54.840 -0.312 0.000 0.775 171 L CB -0.792 40.999 42.059 -0.446 0.000 0.913 171 L HN 0.457 nan 8.230 nan 0.000 0.440 172 E N 0.694 120.859 120.200 -0.058 0.000 2.051 172 E HA -0.201 4.145 4.350 -0.005 0.000 0.192 172 E C 1.529 178.066 176.600 -0.106 0.000 0.991 172 E CA 1.247 57.623 56.400 -0.041 0.000 0.799 172 E CB 0.135 29.810 29.700 -0.042 0.000 0.748 172 E HN 0.169 nan 8.360 nan 0.000 0.449 173 K N -0.289 120.006 120.400 -0.176 0.000 2.372 173 K HA 0.220 4.537 4.320 -0.005 0.000 0.200 173 K C 1.017 177.385 176.600 -0.387 0.000 1.022 173 K CA 0.292 56.357 56.287 -0.371 0.000 1.125 173 K CB 0.467 32.589 32.500 -0.631 0.000 0.855 173 K HN 0.090 nan 8.250 nan 0.000 0.524 174 A N 1.156 123.869 122.820 -0.178 0.000 1.859 174 A HA -0.291 4.026 4.320 -0.005 0.000 0.217 174 A C 2.140 179.555 177.584 -0.282 0.000 1.198 174 A CA 2.088 54.106 52.037 -0.031 0.000 0.629 174 A CB -0.541 18.707 19.000 0.413 0.000 0.830 174 A HN 0.490 nan 8.150 nan 0.000 0.446 175 E N -0.500 119.156 120.200 -0.905 0.000 2.086 175 E HA -0.297 4.050 4.350 -0.005 0.000 0.200 175 E C 2.050 178.225 176.600 -0.708 0.000 1.012 175 E CA 1.682 57.083 56.400 -1.665 0.000 0.812 175 E CB -0.204 28.394 29.700 -1.836 0.000 0.743 175 E HN 0.757 nan 8.360 nan 0.000 0.453 176 E N -0.546 119.366 120.200 -0.479 0.000 2.150 176 E HA -0.187 4.159 4.350 -0.005 0.000 0.193 176 E C 1.852 178.347 176.600 -0.175 0.000 0.985 176 E CA 0.865 57.094 56.400 -0.286 0.000 0.814 176 E CB -0.091 29.454 29.700 -0.258 0.000 0.752 176 E HN 0.371 nan 8.360 nan 0.000 0.466 177 A N 0.634 123.335 122.820 -0.199 0.000 1.897 177 A HA -0.013 4.303 4.320 -0.005 0.000 0.215 177 A C 2.391 179.990 177.584 0.024 0.000 1.181 177 A CA 1.410 53.427 52.037 -0.034 0.000 0.620 177 A CB -1.037 17.951 19.000 -0.019 0.000 0.821 177 A HN 0.424 nan 8.150 nan 0.000 0.443 178 G N 0.286 109.130 108.800 0.074 0.000 2.446 178 G HA2 -0.302 3.654 3.960 -0.005 0.000 0.217 178 G HA3 -0.302 3.654 3.960 -0.005 0.000 0.217 178 G C 1.437 176.414 174.900 0.129 0.000 1.168 178 G CA 1.144 46.359 45.100 0.193 0.000 0.771 178 G HN 0.508 nan 8.290 nan 0.000 0.551 179 N N 0.466 119.215 118.700 0.082 0.000 2.104 179 N HA -0.045 4.692 4.740 -0.005 0.000 0.190 179 N C 2.294 177.794 175.510 -0.017 0.000 1.024 179 N CA 0.683 53.759 53.050 0.044 0.000 0.853 179 N CB -0.468 38.016 38.487 -0.005 0.000 1.008 179 N HN 0.284 nan 8.380 nan 0.000 0.424 180 L N 0.620 121.821 121.223 -0.037 0.000 2.043 180 L HA -0.164 4.173 4.340 -0.005 0.000 0.212 180 L C 2.424 179.187 176.870 -0.178 0.000 1.075 180 L CA 1.183 55.979 54.840 -0.074 0.000 0.752 180 L CB -0.203 41.835 42.059 -0.034 0.000 0.891 180 L HN 0.203 nan 8.230 nan 0.000 0.432 181 M N -1.204 118.290 119.600 -0.176 0.000 2.132 181 M HA -0.230 4.247 4.480 -0.005 0.000 0.263 181 M C 2.248 178.391 176.300 -0.262 0.000 1.065 181 M CA 1.633 56.716 55.300 -0.362 0.000 1.122 181 M CB -0.252 32.305 32.600 -0.071 0.000 1.365 181 M HN 0.238 nan 8.290 nan 0.000 0.411 182 L N -0.206 120.975 121.223 -0.070 0.000 2.079 182 L HA -0.258 4.079 4.340 -0.005 0.000 0.210 182 L C 2.214 179.052 176.870 -0.054 0.000 1.081 182 L CA 1.436 56.269 54.840 -0.012 0.000 0.752 182 L CB -0.542 41.546 42.059 0.049 0.000 0.896 182 L HN 0.400 nan 8.230 nan 0.000 0.433 183 Q N -0.630 119.114 119.800 -0.093 0.000 2.451 183 Q HA 0.062 4.399 4.340 -0.005 0.000 0.206 183 Q C 1.414 177.330 176.000 -0.141 0.000 0.947 183 Q CA 0.613 56.365 55.803 -0.085 0.000 0.937 183 Q CB 0.350 29.047 28.738 -0.069 0.000 1.025 183 Q HN 0.599 nan 8.270 nan 0.000 0.511 184 G N 1.346 109.963 108.800 -0.304 0.000 2.141 184 G HA2 -0.253 3.703 3.960 -0.005 0.000 0.231 184 G HA3 -0.253 3.703 3.960 -0.005 0.000 0.231 184 G C 0.091 174.699 174.900 -0.487 0.000 0.984 184 G CA -0.112 44.728 45.100 -0.433 0.000 0.660 184 G HN 0.123 nan 8.290 nan 0.000 0.525 185 K N 0.800 120.949 120.400 -0.417 0.000 3.006 185 K HA 0.551 4.868 4.320 -0.005 0.000 0.265 185 K C 1.315 177.768 176.600 -0.245 0.000 1.279 185 K CA -0.435 55.712 56.287 -0.232 0.000 1.229 185 K CB -0.800 31.623 32.500 -0.128 0.000 1.555 185 K HN 0.415 nan 8.250 nan 0.000 0.300 186 F N 0.351 120.323 119.950 0.036 0.000 2.026 186 F HA -0.279 4.246 4.527 -0.004 0.000 0.296 186 F C 1.795 177.631 175.800 0.060 0.000 1.133 186 F CA 1.196 59.219 58.000 0.038 0.000 1.188 186 F CB -0.016 38.991 39.000 0.013 0.000 0.968 186 F HN 0.341 nan 8.300 nan 0.000 0.476 187 D N 0.329 120.867 120.400 0.231 0.000 2.172 187 D HA -0.192 4.444 4.640 -0.005 0.000 0.196 187 D C 1.684 178.064 176.300 0.134 0.000 0.999 187 D CA 1.672 55.777 54.000 0.174 0.000 0.856 187 D CB -0.565 40.302 40.800 0.111 0.000 0.934 187 D HN 0.300 nan 8.370 nan 0.000 0.453 188 D N 0.141 120.584 120.400 0.072 0.000 2.097 188 D HA -0.050 4.587 4.640 -0.005 0.000 0.197 188 D C 2.069 178.390 176.300 0.034 0.000 0.984 188 D CA 1.401 55.414 54.000 0.023 0.000 0.826 188 D CB -0.411 40.387 40.800 -0.004 0.000 0.973 188 D HN 0.150 nan 8.370 nan 0.000 0.460 189 A N -0.151 122.719 122.820 0.083 0.000 1.933 189 A HA -0.216 4.101 4.320 -0.005 0.000 0.218 189 A C 2.167 179.840 177.584 0.149 0.000 1.175 189 A CA 1.294 53.418 52.037 0.145 0.000 0.628 189 A CB -0.916 18.169 19.000 0.142 0.000 0.814 189 A HN 0.347 nan 8.150 nan 0.000 0.444 190 Y N 0.377 120.696 120.300 0.032 0.000 2.130 190 Y HA -0.175 4.373 4.550 -0.004 0.000 0.287 190 Y C 2.500 178.363 175.900 -0.062 0.000 1.124 190 Y CA 2.128 60.218 58.100 -0.017 0.000 1.118 190 Y CB -0.724 37.718 38.460 -0.030 0.000 0.994 190 Y HN 0.416 nan 8.280 nan 0.000 0.497 191 Q N -0.079 119.593 119.800 -0.212 0.000 2.135 191 Q HA -0.192 4.145 4.340 -0.005 0.000 0.204 191 Q C 2.298 178.104 176.000 -0.323 0.000 0.981 191 Q CA 1.968 57.580 55.803 -0.317 0.000 0.856 191 Q CB -0.202 28.462 28.738 -0.123 0.000 0.902 191 Q HN 0.522 nan 8.270 nan 0.000 0.425 192 L N -0.744 120.284 121.223 -0.324 0.000 2.068 192 L HA -0.108 4.229 4.340 -0.005 0.000 0.204 192 L C 1.386 177.808 176.870 -0.746 0.000 1.076 192 L CA 0.863 55.359 54.840 -0.574 0.000 0.753 192 L CB -0.053 41.545 42.059 -0.768 0.000 0.910 192 L HN 0.356 nan 8.230 nan 0.000 0.439 193 H N -1.139 117.865 119.070 -0.110 0.000 2.767 193 H HA 0.212 4.765 4.556 -0.006 0.000 0.260 193 H C 0.005 175.265 175.328 -0.113 0.000 1.172 193 H CA -0.154 55.841 56.048 -0.088 0.000 1.048 193 H CB 0.766 30.494 29.762 -0.056 0.000 1.697 193 H HN 0.145 nan 8.280 nan 0.000 0.606 194 Q N 0.141 119.830 119.800 -0.185 0.000 2.450 194 Q HA -0.195 4.142 4.340 -0.005 0.000 0.255 194 Q C -0.212 175.807 176.000 0.031 0.000 1.003 194 Q CA 0.802 56.445 55.803 -0.266 0.000 1.097 194 Q CB -1.785 26.801 28.738 -0.254 0.000 1.544 194 Q HN 0.536 nan 8.270 nan 0.000 0.531 195 M N -0.056 119.610 119.600 0.110 0.000 2.069 195 M HA 0.510 4.986 4.480 -0.005 0.000 0.349 195 M C 0.921 177.330 176.300 0.181 0.000 1.194 195 M CA 0.532 55.898 55.300 0.110 0.000 1.081 195 M CB 1.021 33.672 32.600 0.085 0.000 1.500 195 M HN 0.406 nan 8.290 nan 0.000 0.438 196 G N 1.403 110.262 108.800 0.099 0.000 2.247 196 G HA2 0.354 4.311 3.960 -0.005 0.000 0.229 196 G HA3 0.354 4.311 3.960 -0.005 0.000 0.229 196 G C -0.146 174.607 174.900 -0.245 0.000 1.345 196 G CA -0.134 44.952 45.100 -0.023 0.000 1.100 196 G HN 1.122 nan 8.290 nan 0.000 0.473 197 G N -0.549 107.926 108.800 -0.542 0.000 2.833 197 G HA2 0.445 4.402 3.960 -0.005 0.000 0.260 197 G HA3 0.445 4.402 3.960 -0.005 0.000 0.260 197 G C 0.683 175.324 174.900 -0.432 0.000 1.412 197 G CA 2.166 46.792 45.100 -0.790 0.000 0.986 197 G HN 2.922 nan 8.290 nan 0.000 0.556 198 A N -2.208 120.402 122.820 -0.351 0.000 2.536 198 A HA 0.768 5.085 4.320 -0.005 0.000 0.293 198 A C -1.456 176.013 177.584 -0.192 0.000 1.119 198 A CA -0.230 51.697 52.037 -0.182 0.000 0.654 198 A CB 0.491 19.461 19.000 -0.050 0.000 1.291 198 A HN 1.479 nan 8.150 nan 0.000 0.439 199 Y N -0.862 119.438 120.300 0.000 0.000 2.419 199 Y HA 0.545 5.092 4.550 -0.006 0.000 0.328 199 Y C -0.567 175.425 175.900 0.153 0.000 1.162 199 Y CA 0.307 58.426 58.100 0.032 0.000 1.174 199 Y CB 1.599 40.054 38.460 -0.008 0.000 1.228 199 Y HN 0.625 nan 8.280 nan 0.000 0.473 200 Y N 2.364 122.791 120.300 0.213 0.000 2.402 200 Y HA 0.522 5.070 4.550 -0.004 0.000 0.332 200 Y C -0.842 175.144 175.900 0.143 0.000 0.960 200 Y CA -1.156 57.093 58.100 0.248 0.000 1.228 200 Y CB 0.355 39.003 38.460 0.313 0.000 1.120 200 Y HN 0.334 nan 8.280 nan 0.000 0.491 201 V N 7.273 127.015 119.914 -0.287 0.000 2.637 201 V HA 0.343 4.460 4.120 -0.005 0.000 0.296 201 V C -0.160 175.558 176.094 -0.626 0.000 1.046 201 V CA -0.071 61.959 62.300 -0.449 0.000 1.066 201 V CB 0.600 32.115 31.823 -0.514 0.000 0.968 201 V HN 0.619 nan 8.190 nan 0.000 0.483 202 V N 2.586 122.194 119.914 -0.509 0.000 2.808 202 V HA 0.570 4.687 4.120 -0.005 0.000 0.308 202 V C -1.452 174.385 176.094 -0.428 0.000 1.099 202 V CA -1.042 61.059 62.300 -0.331 0.000 0.920 202 V CB 1.720 33.509 31.823 -0.056 0.000 1.014 202 V HN 0.584 nan 8.190 nan 0.000 0.425 203 Y N 3.508 123.744 120.300 -0.108 0.000 2.518 203 Y HA 0.591 5.137 4.550 -0.006 0.000 0.344 203 Y C 1.082 176.924 175.900 -0.096 0.000 0.982 203 Y CA -0.428 57.611 58.100 -0.102 0.000 1.234 203 Y CB 0.855 39.248 38.460 -0.112 0.000 1.114 203 Y HN 0.551 nan 8.280 nan 0.000 0.515 204 R N 1.662 122.166 120.500 0.007 0.000 2.577 204 R HA 0.713 5.050 4.340 -0.005 0.000 0.269 204 R C -0.146 176.107 176.300 -0.079 0.000 1.084 204 R CA -0.631 55.434 56.100 -0.059 0.000 1.163 204 R CB 0.848 31.118 30.300 -0.050 0.000 1.100 204 R HN 0.660 nan 8.270 nan 0.000 0.547 205 A N 1.224 123.942 122.820 -0.171 0.000 2.295 205 A HA 0.275 4.592 4.320 -0.005 0.000 0.318 205 A C -0.502 177.006 177.584 -0.126 0.000 1.134 205 A CA -0.522 51.426 52.037 -0.147 0.000 0.827 205 A CB 1.057 19.943 19.000 -0.190 0.000 1.136 205 A HN 0.490 nan 8.150 nan 0.000 0.493 206 Q N 1.288 121.019 119.800 -0.116 0.000 2.965 206 Q HA 0.159 4.496 4.340 -0.005 0.000 0.288 206 Q C 0.828 176.708 176.000 -0.200 0.000 0.974 206 Q CA 0.177 55.910 55.803 -0.117 0.000 0.849 206 Q CB 0.849 29.532 28.738 -0.091 0.000 1.280 206 Q HN 0.959 nan 8.270 nan 0.000 0.441 207 S N -0.658 114.947 115.700 -0.158 0.000 2.520 207 S HA -0.085 4.381 4.470 -0.005 0.000 0.249 207 S C 0.860 175.325 174.600 -0.225 0.000 0.983 207 S CA 0.917 59.022 58.200 -0.159 0.000 0.958 207 S CB -0.368 62.822 63.200 -0.016 0.000 0.750 207 S HN 0.437 nan 8.310 nan 0.000 0.527 208 T N -0.907 113.533 114.554 -0.190 0.000 3.089 208 T HA 0.579 4.926 4.350 -0.005 0.000 0.340 208 T C -1.485 173.196 174.700 -0.031 0.000 1.008 208 T CA -0.861 61.219 62.100 -0.033 0.000 1.096 208 T CB 1.482 70.402 68.868 0.087 0.000 1.024 208 T HN 0.056 nan 8.240 nan 0.000 0.477 209 D N 1.961 122.368 120.400 0.012 0.000 2.374 209 D HA 0.667 5.303 4.640 -0.005 0.000 0.239 209 D C 0.139 176.523 176.300 0.140 0.000 0.991 209 D CA -0.602 53.427 54.000 0.047 0.000 0.960 209 D CB 2.074 42.868 40.800 -0.010 0.000 1.284 209 D HN 0.814 nan 8.370 nan 0.000 0.512 210 A N 1.907 124.762 122.820 0.059 0.000 2.566 210 A HA 0.363 4.680 4.320 -0.005 0.000 0.245 210 A C 0.024 177.602 177.584 -0.011 0.000 1.056 210 A CA 0.502 52.560 52.037 0.035 0.000 0.757 210 A CB -0.366 18.644 19.000 0.017 0.000 0.979 210 A HN 0.496 nan 8.150 nan 0.000 0.508 211 I N 2.089 122.668 120.570 0.014 0.000 2.582 211 I HA 0.503 4.670 4.170 -0.005 0.000 0.292 211 I C 0.140 176.378 176.117 0.202 0.000 1.066 211 I CA -0.402 60.874 61.300 -0.041 0.000 1.053 211 I CB 2.804 40.692 38.000 -0.186 0.000 1.241 211 I HN 0.804 nan 8.210 nan 0.000 0.421 212 T N 2.909 117.570 114.554 0.178 0.000 2.896 212 T HA 0.674 5.021 4.350 -0.005 0.000 0.297 212 T C -1.135 173.691 174.700 0.211 0.000 1.108 212 T CA -0.773 61.495 62.100 0.281 0.000 1.004 212 T CB 2.219 71.172 68.868 0.141 0.000 1.159 212 T HN 0.315 nan 8.240 nan 0.000 0.499 213 L N 2.029 123.340 121.223 0.146 0.000 2.296 213 L HA 0.571 4.907 4.340 -0.005 0.000 0.286 213 L C -0.580 176.209 176.870 -0.136 0.000 1.023 213 L CA -0.351 54.358 54.840 -0.218 0.000 0.812 213 L CB 1.214 42.988 42.059 -0.476 0.000 1.223 213 L HN 0.848 nan 8.230 nan 0.000 0.421 214 D N 7.337 127.642 120.400 -0.159 0.000 2.346 214 D HA 0.147 4.784 4.640 -0.005 0.000 0.260 214 D C -1.589 174.644 176.300 -0.112 0.000 1.252 214 D CA -1.920 52.025 54.000 -0.092 0.000 0.895 214 D CB 1.357 42.117 40.800 -0.067 0.000 1.097 214 D HN 0.444 nan 8.370 nan 0.000 0.489 215 P HA -0.229 nan 4.420 nan 0.000 0.217 215 P C 0.730 177.995 177.300 -0.059 0.000 1.148 215 P CA 1.386 64.450 63.100 -0.059 0.000 0.828 215 P CB 0.443 32.126 31.700 -0.028 0.000 0.783 216 K N -0.126 120.243 120.400 -0.050 0.000 1.991 216 K HA -0.037 4.280 4.320 -0.005 0.000 0.207 216 K C 2.358 178.927 176.600 -0.051 0.000 1.045 216 K CA 2.082 58.344 56.287 -0.041 0.000 0.937 216 K CB -1.065 31.417 32.500 -0.030 0.000 0.720 216 K HN 0.263 nan 8.250 nan 0.000 0.438 217 T N -2.514 112.004 114.554 -0.060 0.000 3.065 217 T HA 0.178 4.525 4.350 -0.005 0.000 0.252 217 T C 1.561 176.203 174.700 -0.097 0.000 1.099 217 T CA 0.617 62.679 62.100 -0.063 0.000 1.063 217 T CB 0.287 69.126 68.868 -0.049 0.000 0.948 217 T HN 0.441 nan 8.240 nan 0.000 0.506 218 G N 1.652 110.362 108.800 -0.149 0.000 2.220 218 G HA2 -0.265 3.692 3.960 -0.005 0.000 0.269 218 G HA3 -0.265 3.692 3.960 -0.005 0.000 0.269 218 G C 0.180 174.883 174.900 -0.328 0.000 0.977 218 G CA 0.287 45.244 45.100 -0.237 0.000 0.634 218 G HN 0.603 nan 8.290 nan 0.000 0.539 219 K N 0.025 120.303 120.400 -0.204 0.000 2.326 219 K HA 0.482 4.799 4.320 -0.005 0.000 0.275 219 K C 0.219 176.704 176.600 -0.193 0.000 1.018 219 K CA -0.270 55.941 56.287 -0.127 0.000 0.962 219 K CB 0.427 32.910 32.500 -0.028 0.000 0.953 219 K HN 0.116 nan 8.250 nan 0.000 0.475 220 F N 0.491 120.444 119.950 0.006 0.000 2.370 220 F HA 0.302 4.825 4.527 -0.006 0.000 0.319 220 F C 0.446 176.312 175.800 0.110 0.000 1.129 220 F CA -0.492 57.516 58.000 0.014 0.000 1.109 220 F CB 1.120 40.143 39.000 0.038 0.000 1.262 220 F HN 0.016 nan 8.300 nan 0.000 0.534 221 V N 1.136 121.185 119.914 0.224 0.000 2.777 221 V HA 0.356 4.473 4.120 -0.005 0.000 0.306 221 V C -0.867 175.089 176.094 -0.229 0.000 1.112 221 V CA -1.030 61.295 62.300 0.042 0.000 0.917 221 V CB 2.000 33.846 31.823 0.039 0.000 1.018 221 V HN 0.804 nan 8.190 nan 0.000 0.426 222 S N 3.464 118.895 115.700 -0.447 0.000 2.578 222 S HA 0.588 5.055 4.470 -0.005 0.000 0.283 222 S C -0.353 174.139 174.600 -0.180 0.000 1.195 222 S CA -0.773 57.117 58.200 -0.517 0.000 1.050 222 S CB 1.479 64.210 63.200 -0.782 0.000 1.012 222 S HN 0.707 nan 8.310 nan 0.000 0.511 223 K N 0.915 121.247 120.400 -0.113 0.000 2.451 223 K HA 0.034 4.351 4.320 -0.005 0.000 0.280 223 K C -0.943 175.644 176.600 -0.021 0.000 1.020 223 K CA -0.068 56.194 56.287 -0.041 0.000 1.008 223 K CB 0.087 32.576 32.500 -0.017 0.000 0.917 223 K HN 0.586 nan 8.250 nan 0.000 0.478 224 D N 3.443 123.840 120.400 -0.006 0.000 2.312 224 D HA 0.132 4.769 4.640 -0.005 0.000 0.252 224 D C -0.359 175.937 176.300 -0.006 0.000 1.150 224 D CA 0.097 54.099 54.000 0.004 0.000 0.870 224 D CB 0.737 41.545 40.800 0.013 0.000 1.153 224 D HN 0.234 nan 8.370 nan 0.000 0.457 225 R N 3.125 123.616 120.500 -0.016 0.000 2.288 225 R HA 0.284 4.620 4.340 -0.005 0.000 0.326 225 R C -0.035 176.212 176.300 -0.088 0.000 0.959 225 R CA -0.785 55.294 56.100 -0.036 0.000 0.834 225 R CB 0.963 31.247 30.300 -0.026 0.000 1.157 225 R HN 0.375 nan 8.270 nan 0.000 0.470 226 M N 2.891 122.434 119.600 -0.095 0.000 2.249 226 M HA 0.127 4.603 4.480 -0.005 0.000 0.340 226 M C 0.445 176.600 176.300 -0.242 0.000 1.166 226 M CA -0.014 55.183 55.300 -0.173 0.000 1.115 226 M CB 0.427 32.953 32.600 -0.123 0.000 1.606 226 M HN 0.338 nan 8.290 nan 0.000 0.448 227 V N -0.059 119.590 119.914 -0.442 0.000 2.888 227 V HA 0.929 5.046 4.120 -0.005 0.000 0.309 227 V C -0.464 175.335 176.094 -0.492 0.000 1.114 227 V CA -1.368 60.683 62.300 -0.416 0.000 0.940 227 V CB 1.350 32.921 31.823 -0.420 0.000 1.021 227 V HN 0.959 nan 8.190 nan 0.000 0.426 228 A N 2.886 125.586 122.820 -0.199 0.000 2.327 228 A HA 0.762 5.079 4.320 -0.005 0.000 0.283 228 A C -0.067 177.642 177.584 0.208 0.000 1.127 228 A CA -0.120 51.869 52.037 -0.079 0.000 0.810 228 A CB 0.425 19.506 19.000 0.134 0.000 1.066 228 A HN 1.208 nan 8.150 nan 0.000 0.492 229 D N 0.719 121.294 120.400 0.291 0.000 2.432 229 D HA 0.202 4.839 4.640 -0.005 0.000 0.258 229 D C 0.797 177.115 176.300 0.030 0.000 1.146 229 D CA -0.755 53.440 54.000 0.324 0.000 1.015 229 D CB 0.103 41.100 40.800 0.327 0.000 1.107 229 D HN 0.336 nan 8.370 nan 0.000 0.529 230 F N 0.546 120.115 119.950 -0.635 0.000 2.043 230 F HA -0.264 4.252 4.527 -0.018 0.000 0.297 230 F C 2.092 177.681 175.800 -0.350 0.000 1.118 230 F CA 1.957 59.379 58.000 -0.963 0.000 1.202 230 F CB -0.040 38.212 39.000 -1.248 0.000 0.965 230 F HN 0.234 nan 8.300 nan 0.000 0.482 231 E N -0.211 119.932 120.200 -0.095 0.000 2.048 231 E HA -0.325 4.022 4.350 -0.005 0.000 0.202 231 E C 2.111 178.626 176.600 -0.142 0.000 1.021 231 E CA 2.021 58.360 56.400 -0.101 0.000 0.825 231 E CB -1.290 28.437 29.700 0.046 0.000 0.756 231 E HN 0.670 nan 8.360 nan 0.000 0.454 232 Y N 0.809 121.037 120.300 -0.120 0.000 2.193 232 Y HA -0.283 4.255 4.550 -0.019 0.000 0.285 232 Y C 2.239 178.066 175.900 -0.122 0.000 1.166 232 Y CA 1.985 60.040 58.100 -0.075 0.000 1.181 232 Y CB -0.250 38.216 38.460 0.009 0.000 0.976 232 Y HN 0.073 nan 8.280 nan 0.000 0.520 233 A N -0.542 122.280 122.820 0.004 0.000 1.897 233 A HA -0.134 4.182 4.320 -0.005 0.000 0.215 233 A C 2.112 179.554 177.584 -0.236 0.000 1.181 233 A CA 1.915 53.922 52.037 -0.049 0.000 0.620 233 A CB -1.420 17.623 19.000 0.072 0.000 0.821 233 A HN 0.467 nan 8.150 nan 0.000 0.443 234 V N -1.936 117.688 119.914 -0.483 0.000 3.444 234 V HA -0.003 4.113 4.120 -0.005 0.000 0.271 234 V C 1.549 177.478 176.094 -0.274 0.000 1.188 234 V CA 1.845 63.886 62.300 -0.432 0.000 1.168 234 V CB -1.410 30.018 31.823 -0.659 0.000 0.810 234 V HN 0.677 nan 8.190 nan 0.000 0.500 235 T N -3.918 110.477 114.554 -0.265 0.000 3.132 235 T HA 0.465 4.812 4.350 -0.005 0.000 0.274 235 T C 1.481 176.035 174.700 -0.243 0.000 1.011 235 T CA 0.519 62.486 62.100 -0.221 0.000 0.899 235 T CB 0.216 68.959 68.868 -0.209 0.000 1.089 235 T HN 1.426 nan 8.240 nan 0.000 0.543 236 G N 1.040 109.691 108.800 -0.248 0.000 2.203 236 G HA2 0.081 4.038 3.960 -0.005 0.000 0.263 236 G HA3 0.081 4.038 3.960 -0.005 0.000 0.263 236 G C 1.139 175.804 174.900 -0.392 0.000 1.012 236 G CA 0.449 45.407 45.100 -0.236 0.000 0.749 236 G HN 1.883 nan 8.290 nan 0.000 0.512 237 G N -1.370 106.978 108.800 -0.753 0.000 2.157 237 G HA2 -0.260 3.696 3.960 -0.005 0.000 0.248 237 G HA3 -0.260 3.696 3.960 -0.005 0.000 0.248 237 G C 0.753 175.285 174.900 -0.612 0.000 0.979 237 G CA 1.137 45.444 45.100 -1.321 0.000 0.650 237 G HN 0.759 nan 8.290 nan 0.000 0.529 238 E N -0.470 119.516 120.200 -0.356 0.000 2.285 238 E HA 0.099 4.445 4.350 -0.005 0.000 0.194 238 E C 1.389 177.913 176.600 -0.127 0.000 0.997 238 E CA 0.827 57.120 56.400 -0.177 0.000 0.845 238 E CB 0.207 29.832 29.700 -0.125 0.000 0.782 238 E HN 0.699 nan 8.360 nan 0.000 0.491 239 Q N -1.713 117.992 119.800 -0.160 0.000 2.991 239 Q HA 0.497 4.834 4.340 -0.005 0.000 0.322 239 Q C -0.266 175.747 176.000 0.021 0.000 0.978 239 Q CA -0.226 55.547 55.803 -0.051 0.000 0.787 239 Q CB 2.268 30.977 28.738 -0.047 0.000 1.492 239 Q HN 0.158 nan 8.270 nan 0.000 0.498 240 G N 0.290 109.147 108.800 0.095 0.000 2.741 240 G HA2 -0.167 3.790 3.960 -0.005 0.000 0.222 240 G HA3 -0.167 3.790 3.960 -0.005 0.000 0.222 240 G C -0.899 174.194 174.900 0.322 0.000 1.364 240 G CA -0.267 44.950 45.100 0.196 0.000 0.866 240 G HN 0.741 nan 8.290 nan 0.000 0.555 241 S N -1.232 114.641 115.700 0.288 0.000 2.568 241 S HA 0.746 5.213 4.470 -0.005 0.000 0.293 241 S C -0.909 173.677 174.600 -0.022 0.000 1.089 241 S CA -0.638 57.669 58.200 0.178 0.000 0.945 241 S CB 2.322 65.591 63.200 0.115 0.000 1.077 241 S HN 1.625 nan 8.310 nan 0.000 0.485 242 L N 2.958 124.101 121.223 -0.133 0.000 2.377 242 L HA 0.761 5.097 4.340 -0.005 0.000 0.270 242 L C -1.516 175.357 176.870 0.006 0.000 0.991 242 L CA -0.483 54.150 54.840 -0.346 0.000 0.851 242 L CB 0.305 41.984 42.059 -0.634 0.000 1.218 242 L HN 0.746 nan 8.230 nan 0.000 0.420 243 F N 3.006 122.874 119.950 -0.135 0.000 2.706 243 F HA 0.968 5.500 4.527 0.008 0.000 0.328 243 F C -0.241 175.537 175.800 -0.036 0.000 1.123 243 F CA -1.334 56.629 58.000 -0.062 0.000 0.978 243 F CB 0.669 39.648 39.000 -0.035 0.000 1.404 243 F HN 0.475 nan 8.300 nan 0.000 0.497 244 A N 1.139 123.977 122.820 0.031 0.000 2.366 244 A HA 0.733 5.050 4.320 -0.005 0.000 0.272 244 A C 0.248 177.837 177.584 0.008 0.000 1.135 244 A CA -0.064 51.951 52.037 -0.036 0.000 0.804 244 A CB -0.417 18.610 19.000 0.045 0.000 1.064 244 A HN 1.386 nan 8.150 nan 0.000 0.499 245 A N 2.040 124.806 122.820 -0.090 0.000 2.346 245 A HA 0.537 4.853 4.320 -0.005 0.000 0.255 245 A C 0.765 178.400 177.584 0.085 0.000 1.113 245 A CA 0.416 52.455 52.037 0.003 0.000 0.798 245 A CB 0.102 19.081 19.000 -0.036 0.000 1.073 245 A HN 1.425 nan 8.150 nan 0.000 0.502 246 S N -1.037 114.730 115.700 0.112 0.000 2.474 246 S HA 0.362 4.829 4.470 -0.005 0.000 0.321 246 S C 0.310 174.997 174.600 0.146 0.000 1.080 246 S CA -0.657 57.618 58.200 0.126 0.000 1.106 246 S CB 0.396 63.669 63.200 0.122 0.000 0.984 246 S HN 0.550 nan 8.310 nan 0.000 0.464 247 K N 2.582 123.090 120.400 0.180 0.000 2.458 247 K HA 0.074 4.391 4.320 -0.005 0.000 0.194 247 K C 0.313 177.090 176.600 0.294 0.000 1.024 247 K CA -0.069 56.369 56.287 0.251 0.000 1.108 247 K CB 0.124 32.794 32.500 0.284 0.000 0.846 247 K HN 0.643 nan 8.250 nan 0.000 0.518 248 D N 0.715 121.237 120.400 0.204 0.000 2.417 248 D HA -0.015 4.622 4.640 -0.005 0.000 0.250 248 D C 0.083 176.431 176.300 0.080 0.000 1.166 248 D CA 0.089 54.162 54.000 0.122 0.000 0.881 248 D CB 1.220 42.071 40.800 0.085 0.000 1.164 248 D HN 0.176 nan 8.370 nan 0.000 0.467 249 A N 3.239 126.058 122.820 -0.002 0.000 2.423 249 A HA 0.098 4.415 4.320 -0.005 0.000 0.246 249 A C 1.932 179.494 177.584 -0.038 0.000 1.278 249 A CA -0.201 51.835 52.037 -0.001 0.000 0.903 249 A CB 0.184 19.172 19.000 -0.020 0.000 0.997 249 A HN 0.537 nan 8.150 nan 0.000 0.510 250 S N 1.199 116.877 115.700 -0.036 0.000 2.370 250 S HA -0.234 4.233 4.470 -0.005 0.000 0.226 250 S C 2.137 176.732 174.600 -0.009 0.000 1.033 250 S CA 1.560 59.739 58.200 -0.035 0.000 1.011 250 S CB -0.412 62.772 63.200 -0.026 0.000 0.852 250 S HN 0.879 nan 8.310 nan 0.000 0.457 251 R N 1.760 122.274 120.500 0.023 0.000 2.226 251 R HA -0.122 4.215 4.340 -0.005 0.000 0.246 251 R C 1.797 178.143 176.300 0.077 0.000 1.161 251 R CA 1.395 57.524 56.100 0.048 0.000 0.997 251 R CB -1.026 29.324 30.300 0.084 0.000 0.870 251 R HN 0.367 nan 8.270 nan 0.000 0.465 252 L N 0.615 121.879 121.223 0.067 0.000 2.201 252 L HA -0.094 4.243 4.340 -0.005 0.000 0.212 252 L C 2.622 179.536 176.870 0.073 0.000 1.105 252 L CA 1.446 56.347 54.840 0.102 0.000 0.775 252 L CB -0.469 41.475 42.059 -0.192 0.000 0.913 252 L HN 0.208 nan 8.230 nan 0.000 0.440 253 K N 1.049 121.448 120.400 -0.001 0.000 1.991 253 K HA -0.210 4.107 4.320 -0.005 0.000 0.207 253 K C 2.046 178.639 176.600 -0.012 0.000 1.045 253 K CA 1.538 57.817 56.287 -0.014 0.000 0.937 253 K CB -0.202 32.278 32.500 -0.034 0.000 0.720 253 K HN 0.192 nan 8.250 nan 0.000 0.438 254 E N -0.136 120.050 120.200 -0.024 0.000 2.265 254 E HA -0.206 4.141 4.350 -0.005 0.000 0.196 254 E C 1.570 178.110 176.600 -0.099 0.000 0.996 254 E CA 1.106 57.478 56.400 -0.047 0.000 0.832 254 E CB 0.148 29.825 29.700 -0.039 0.000 0.756 254 E HN 0.509 nan 8.360 nan 0.000 0.491 255 Q N -1.523 118.189 119.800 -0.147 0.000 2.373 255 Q HA -0.010 4.327 4.340 -0.005 0.000 0.210 255 Q C 0.499 176.072 176.000 -0.711 0.000 0.913 255 Q CA 0.579 56.116 55.803 -0.444 0.000 0.911 255 Q CB 0.498 28.884 28.738 -0.587 0.000 1.040 255 Q HN 0.372 nan 8.270 nan 0.000 0.521 256 Y N -1.282 119.030 120.300 0.020 0.000 2.563 256 Y HA 0.339 4.885 4.550 -0.006 0.000 0.250 256 Y C 1.059 176.959 175.900 -0.000 0.000 1.126 256 Y CA -0.018 58.101 58.100 0.032 0.000 1.231 256 Y CB 1.246 39.742 38.460 0.059 0.000 1.288 256 Y HN 0.101 nan 8.280 nan 0.000 0.537 257 G N 1.737 110.577 108.800 0.067 0.000 2.249 257 G HA2 -0.307 3.650 3.960 -0.005 0.000 0.273 257 G HA3 -0.307 3.650 3.960 -0.005 0.000 0.273 257 G C -0.059 174.858 174.900 0.027 0.000 1.036 257 G CA 0.197 45.315 45.100 0.030 0.000 0.824 257 G HN 0.378 nan 8.290 nan 0.000 0.504 258 I N 0.832 121.417 120.570 0.025 0.000 2.312 258 I HA 0.175 4.342 4.170 -0.005 0.000 0.291 258 I C -0.272 175.797 176.117 -0.081 0.000 1.031 258 I CA -0.729 60.546 61.300 -0.042 0.000 1.293 258 I CB 0.826 38.750 38.000 -0.126 0.000 1.403 258 I HN -0.059 nan 8.210 nan 0.000 0.484 259 D N 6.216 126.565 120.400 -0.085 0.000 2.382 259 D HA 0.130 4.766 4.640 -0.005 0.000 0.259 259 D C -0.369 175.841 176.300 -0.149 0.000 1.224 259 D CA 0.256 54.196 54.000 -0.100 0.000 0.894 259 D CB 0.996 41.739 40.800 -0.094 0.000 1.127 259 D HN 0.068 nan 8.370 nan 0.000 0.487 260 V N 5.702 125.528 119.914 -0.145 0.000 2.333 260 V HA 0.294 4.411 4.120 -0.005 0.000 0.274 260 V C -1.672 174.314 176.094 -0.180 0.000 1.028 260 V CA -1.522 60.669 62.300 -0.182 0.000 0.851 260 V CB 0.885 32.621 31.823 -0.144 0.000 1.000 260 V HN 0.500 nan 8.190 nan 0.000 0.456 261 P HA 0.153 nan 4.420 nan 0.000 0.269 261 P C -0.346 176.953 177.300 -0.003 0.000 1.209 261 P CA -0.291 62.687 63.100 -0.203 0.000 0.776 261 P CB 0.764 32.187 31.700 -0.462 0.000 0.876 262 D N 0.650 121.068 120.400 0.030 0.000 2.506 262 D HA 0.269 4.906 4.640 -0.005 0.000 0.234 262 D C 1.429 177.805 176.300 0.126 0.000 1.143 262 D CA 2.090 56.124 54.000 0.057 0.000 0.871 262 D CB -0.204 40.642 40.800 0.077 0.000 1.190 262 D HN 0.707 nan 8.370 nan 0.000 0.459 263 G N 1.230 110.025 108.800 -0.009 0.000 2.176 263 G HA2 -0.275 3.682 3.960 -0.005 0.000 0.252 263 G HA3 -0.275 3.682 3.960 -0.005 0.000 0.252 263 G C -0.186 174.419 174.900 -0.492 0.000 1.024 263 G CA -0.359 44.657 45.100 -0.140 0.000 0.755 263 G HN 0.332 nan 8.290 nan 0.000 0.507 264 F N -0.939 118.653 119.950 -0.596 0.000 2.522 264 F HA 0.868 5.392 4.527 -0.006 0.000 0.324 264 F C 0.259 175.636 175.800 -0.704 0.000 1.077 264 F CA -1.193 56.561 58.000 -0.409 0.000 0.944 264 F CB 1.526 40.376 39.000 -0.249 0.000 1.175 264 F HN -0.018 nan 8.300 nan 0.000 0.468 265 F N -0.143 119.775 119.950 -0.054 0.000 2.650 265 F HA 0.527 5.050 4.527 -0.007 0.000 0.320 265 F C -0.404 175.515 175.800 0.198 0.000 1.091 265 F CA -1.348 56.675 58.000 0.037 0.000 0.962 265 F CB 0.797 39.768 39.000 -0.049 0.000 1.363 265 F HN 0.249 nan 8.300 nan 0.000 0.482 266 C N 1.231 120.779 119.300 0.414 0.000 2.605 266 C HA 0.277 4.734 4.460 -0.005 0.000 0.404 266 C C 0.614 175.831 174.990 0.378 0.000 1.284 266 C CA -0.614 58.620 59.018 0.361 0.000 2.199 266 C CB -0.159 27.752 27.740 0.285 0.000 2.647 266 C HN 0.693 nan 8.230 nan 0.000 0.604 267 E N 0.850 121.200 120.200 0.250 0.000 2.408 267 E HA 0.139 4.486 4.350 -0.005 0.000 0.259 267 E C 0.297 176.909 176.600 0.020 0.000 1.110 267 E CA -0.031 56.394 56.400 0.042 0.000 0.929 267 E CB 0.493 30.185 29.700 -0.013 0.000 0.971 267 E HN 0.539 nan 8.360 nan 0.000 0.438 268 R N 1.870 122.326 120.500 -0.073 0.000 2.404 268 R HA 0.268 4.604 4.340 -0.005 0.000 0.291 268 R C -0.569 175.713 176.300 -0.029 0.000 1.025 268 R CA -0.391 55.691 56.100 -0.030 0.000 0.991 268 R CB 0.803 31.074 30.300 -0.048 0.000 1.053 268 R HN 0.416 nan 8.270 nan 0.000 0.479 269 R N 3.531 124.032 120.500 0.000 0.000 2.437 269 R HA 0.321 4.658 4.340 -0.005 0.000 0.310 269 R C -0.553 175.790 176.300 0.072 0.000 0.955 269 R CA -0.875 55.241 56.100 0.026 0.000 0.851 269 R CB 1.963 32.284 30.300 0.034 0.000 1.161 269 R HN 0.583 nan 8.270 nan 0.000 0.446 270 R N 0.734 121.268 120.500 0.056 0.000 2.349 270 R HA 0.142 4.478 4.340 -0.005 0.000 0.299 270 R C 0.093 176.418 176.300 0.042 0.000 1.027 270 R CA -0.280 55.847 56.100 0.045 0.000 0.958 270 R CB 1.688 31.990 30.300 0.003 0.000 1.047 270 R HN 0.408 nan 8.270 nan 0.000 0.468 271 T N 1.137 115.688 114.554 -0.004 0.000 2.814 271 T HA 0.454 4.801 4.350 -0.005 0.000 0.297 271 T C -0.512 174.062 174.700 -0.210 0.000 0.956 271 T CA -0.397 61.577 62.100 -0.209 0.000 1.123 271 T CB 0.568 69.330 68.868 -0.176 0.000 0.902 271 T HN 0.624 nan 8.240 nan 0.000 0.528 272 A N 5.803 128.456 122.820 -0.278 0.000 2.386 272 A HA 0.782 5.099 4.320 -0.005 0.000 0.311 272 A C -0.425 177.055 177.584 -0.174 0.000 1.068 272 A CA -0.915 51.021 52.037 -0.167 0.000 0.743 272 A CB 1.369 20.315 19.000 -0.090 0.000 1.258 272 A HN 0.873 nan 8.150 nan 0.000 0.429 273 M N 2.481 122.007 119.600 -0.122 0.000 2.078 273 M HA 0.393 4.870 4.480 -0.005 0.000 0.320 273 M C 0.454 176.818 176.300 0.106 0.000 0.969 273 M CA -0.210 55.055 55.300 -0.058 0.000 0.929 273 M CB 1.920 34.391 32.600 -0.214 0.000 1.504 273 M HN 0.842 nan 8.290 nan 0.000 0.419 274 G N 2.105 111.028 108.800 0.205 0.000 2.355 274 G HA2 0.544 4.501 3.960 -0.005 0.000 0.276 274 G HA3 0.544 4.501 3.960 -0.005 0.000 0.276 274 G C 0.148 175.213 174.900 0.275 0.000 1.198 274 G CA -0.426 44.810 45.100 0.226 0.000 0.876 274 G HN 0.802 nan 8.290 nan 0.000 0.478 275 G N 1.890 110.824 108.800 0.224 0.000 2.562 275 G HA2 0.605 4.562 3.960 -0.005 0.000 0.275 275 G HA3 0.605 4.562 3.960 -0.005 0.000 0.275 275 G C -2.367 172.457 174.900 -0.127 0.000 1.196 275 G CA -1.207 43.888 45.100 -0.008 0.000 0.908 275 G HN 0.498 nan 8.290 nan 0.000 0.524 276 P HA 0.094 nan 4.420 nan 0.000 0.280 276 P C 0.478 177.751 177.300 -0.045 0.000 1.386 276 P CA -0.519 62.463 63.100 -0.196 0.000 0.899 276 P CB 0.810 32.357 31.700 -0.255 0.000 1.098 277 F N 4.927 124.785 119.950 -0.153 0.000 2.063 277 F HA -0.347 4.176 4.527 -0.006 0.000 0.297 277 F C 2.349 178.114 175.800 -0.058 0.000 1.099 277 F CA 2.307 60.256 58.000 -0.084 0.000 1.220 277 F CB -1.135 37.827 39.000 -0.063 0.000 0.972 277 F HN 0.382 nan 8.300 nan 0.000 0.487 278 A N -0.282 122.516 122.820 -0.037 0.000 1.940 278 A HA -0.261 4.056 4.320 -0.005 0.000 0.221 278 A C 2.137 179.634 177.584 -0.146 0.000 1.190 278 A CA 2.185 54.156 52.037 -0.110 0.000 0.647 278 A CB -1.261 17.724 19.000 -0.024 0.000 0.821 278 A HN 0.501 nan 8.150 nan 0.000 0.457 279 L N -0.299 120.858 121.223 -0.109 0.000 2.209 279 L HA 0.065 4.402 4.340 -0.005 0.000 0.207 279 L C 1.622 178.434 176.870 -0.097 0.000 1.094 279 L CA 1.976 56.761 54.840 -0.092 0.000 0.790 279 L CB -0.831 41.169 42.059 -0.098 0.000 0.932 279 L HN 0.453 nan 8.230 nan 0.000 0.447 280 N N -0.601 118.034 118.700 -0.109 0.000 2.354 280 N HA -0.049 4.688 4.740 -0.005 0.000 0.179 280 N C 1.840 177.297 175.510 -0.090 0.000 1.021 280 N CA 0.703 53.725 53.050 -0.048 0.000 0.887 280 N CB -0.039 38.474 38.487 0.043 0.000 0.974 280 N HN 0.476 nan 8.380 nan 0.000 0.437 281 A N 2.628 125.265 122.820 -0.306 0.000 1.841 281 A HA -0.105 4.212 4.320 -0.005 0.000 0.216 281 A C -0.280 177.218 177.584 -0.143 0.000 1.199 281 A CA 1.351 53.177 52.037 -0.351 0.000 0.621 281 A CB -1.630 17.006 19.000 -0.606 0.000 0.835 281 A HN 0.175 nan 8.150 nan 0.000 0.445 282 P HA -0.166 nan 4.420 nan 0.000 0.218 282 P C 1.450 179.086 177.300 0.561 0.000 1.146 282 P CA 1.250 64.418 63.100 0.113 0.000 0.813 282 P CB -0.189 31.692 31.700 0.301 0.000 0.778 283 I N -1.295 119.494 120.570 0.365 0.000 2.277 283 I HA -0.164 4.002 4.170 -0.005 0.000 0.243 283 I C 2.760 179.133 176.117 0.427 0.000 1.094 283 I CA 1.199 62.806 61.300 0.512 0.000 1.393 283 I CB -0.548 37.629 38.000 0.295 0.000 1.078 283 I HN -0.170 nan 8.210 nan 0.000 0.417 284 M N 0.538 120.276 119.600 0.230 0.000 2.108 284 M HA -0.223 4.254 4.480 -0.005 0.000 0.261 284 M C 2.500 178.899 176.300 0.165 0.000 1.066 284 M CA 2.068 57.468 55.300 0.167 0.000 1.107 284 M CB -0.612 32.048 32.600 0.100 0.000 1.356 284 M HN 0.298 nan 8.290 nan 0.000 0.406 285 A N -0.367 122.554 122.820 0.170 0.000 2.084 285 A HA -0.109 4.208 4.320 -0.005 0.000 0.221 285 A C 2.131 179.834 177.584 0.199 0.000 1.161 285 A CA 1.836 53.980 52.037 0.179 0.000 0.653 285 A CB -0.774 18.348 19.000 0.203 0.000 0.802 285 A HN 0.376 nan 8.150 nan 0.000 0.457 286 V N -1.568 118.489 119.914 0.239 0.000 3.085 286 V HA 0.062 4.179 4.120 -0.005 0.000 0.245 286 V C 2.810 178.925 176.094 0.035 0.000 1.114 286 V CA 0.981 63.341 62.300 0.100 0.000 1.108 286 V CB -0.741 31.116 31.823 0.057 0.000 0.798 286 V HN 0.556 nan 8.190 nan 0.000 0.471 287 A N 0.189 123.079 122.820 0.116 0.000 1.851 287 A HA -0.329 3.988 4.320 -0.005 0.000 0.216 287 A C 2.160 179.717 177.584 -0.046 0.000 1.195 287 A CA 2.517 54.577 52.037 0.038 0.000 0.622 287 A CB -0.656 18.415 19.000 0.118 0.000 0.831 287 A HN 0.481 nan 8.150 nan 0.000 0.444 288 Q N 0.054 119.854 119.800 0.001 0.000 2.135 288 Q HA -0.086 4.251 4.340 -0.005 0.000 0.204 288 Q C -0.683 175.280 176.000 -0.062 0.000 0.981 288 Q CA 2.368 58.160 55.803 -0.018 0.000 0.856 288 Q CB -1.240 27.507 28.738 0.016 0.000 0.902 288 Q HN 0.487 nan 8.270 nan 0.000 0.425 289 P HA -0.118 nan 4.420 nan 0.000 0.216 289 P C 1.229 178.433 177.300 -0.159 0.000 1.153 289 P CA 1.073 64.120 63.100 -0.088 0.000 0.848 289 P CB -0.002 31.656 31.700 -0.071 0.000 0.787 290 V N 0.126 119.898 119.914 -0.236 0.000 2.332 290 V HA -0.264 3.852 4.120 -0.005 0.000 0.248 290 V C 2.422 178.296 176.094 -0.368 0.000 1.055 290 V CA 1.839 63.917 62.300 -0.371 0.000 1.038 290 V CB -0.993 30.469 31.823 -0.601 0.000 0.651 290 V HN 0.089 nan 8.190 nan 0.000 0.450 291 R N 0.235 120.532 120.500 -0.338 0.000 2.105 291 R HA -0.154 4.183 4.340 -0.005 0.000 0.239 291 R C 2.162 178.206 176.300 -0.427 0.000 1.135 291 R CA 1.601 57.398 56.100 -0.504 0.000 0.967 291 R CB -0.478 29.676 30.300 -0.242 0.000 0.861 291 R HN 0.550 nan 8.270 nan 0.000 0.442 292 N N 0.931 119.524 118.700 -0.178 0.000 2.188 292 N HA -0.158 4.579 4.740 -0.005 0.000 0.184 292 N C 1.598 177.045 175.510 -0.104 0.000 1.018 292 N CA 1.080 54.082 53.050 -0.079 0.000 0.858 292 N CB -0.093 38.363 38.487 -0.051 0.000 0.989 292 N HN 0.268 nan 8.380 nan 0.000 0.426 293 K N 1.523 121.836 120.400 -0.145 0.000 2.001 293 K HA -0.048 4.269 4.320 -0.005 0.000 0.208 293 K C 2.182 178.721 176.600 -0.102 0.000 1.048 293 K CA 1.057 57.278 56.287 -0.111 0.000 0.932 293 K CB -0.158 32.288 32.500 -0.089 0.000 0.715 293 K HN 0.240 nan 8.250 nan 0.000 0.437 294 I N -1.630 118.836 120.570 -0.173 0.000 2.361 294 I HA -0.209 3.957 4.170 -0.005 0.000 0.251 294 I C 1.432 177.541 176.117 -0.015 0.000 1.133 294 I CA 1.211 62.464 61.300 -0.078 0.000 1.413 294 I CB -0.510 37.241 38.000 -0.414 0.000 1.073 294 I HN 0.067 nan 8.210 nan 0.000 0.424 295 Y N 2.105 122.351 120.300 -0.090 0.000 2.439 295 Y HA -0.110 4.437 4.550 -0.006 0.000 0.292 295 Y C 3.025 178.862 175.900 -0.106 0.000 1.130 295 Y CA 0.640 58.632 58.100 -0.180 0.000 1.254 295 Y CB -0.813 37.391 38.460 -0.427 0.000 1.000 295 Y HN 0.516 nan 8.280 nan 0.000 0.554 296 S N -0.204 115.537 115.700 0.068 0.000 2.339 296 S HA -0.086 4.380 4.470 -0.005 0.000 0.189 296 S C 2.082 176.676 174.600 -0.010 0.000 0.966 296 S CA 0.697 58.919 58.200 0.037 0.000 0.925 296 S CB -0.589 62.605 63.200 -0.011 0.000 0.890 296 S HN 0.249 nan 8.310 nan 0.000 0.539 297 K N 0.179 120.501 120.400 -0.129 0.000 2.074 297 K HA -0.138 4.179 4.320 -0.005 0.000 0.209 297 K C 0.291 176.681 176.600 -0.350 0.000 1.048 297 K CA 1.539 57.634 56.287 -0.320 0.000 0.926 297 K CB -0.334 31.812 32.500 -0.590 0.000 0.713 297 K HN 0.610 nan 8.250 nan 0.000 0.444 298 Y N -0.254 120.120 120.300 0.125 0.000 2.781 298 Y HA 0.390 4.936 4.550 -0.005 0.000 0.326 298 Y C 1.019 176.973 175.900 0.090 0.000 1.019 298 Y CA -0.357 57.822 58.100 0.131 0.000 1.372 298 Y CB 0.217 38.806 38.460 0.215 0.000 1.260 298 Y HN 0.111 nan 8.280 nan 0.000 0.546 299 A N -0.694 122.234 122.820 0.179 0.000 2.070 299 A HA -0.249 4.067 4.320 -0.005 0.000 0.220 299 A C 1.893 179.504 177.584 0.046 0.000 1.159 299 A CA 1.315 53.444 52.037 0.152 0.000 0.656 299 A CB -0.755 18.334 19.000 0.148 0.000 0.800 299 A HN 0.695 nan 8.150 nan 0.000 0.453 300 Y N 1.448 121.718 120.300 -0.050 0.000 2.070 300 Y HA -0.269 4.278 4.550 -0.005 0.000 0.280 300 Y C 2.892 178.718 175.900 -0.125 0.000 1.148 300 Y CA 2.792 60.836 58.100 -0.093 0.000 1.125 300 Y CB -0.332 38.052 38.460 -0.126 0.000 0.975 300 Y HN 0.416 nan 8.280 nan 0.000 0.492 301 T N -2.934 111.516 114.554 -0.172 0.000 3.067 301 T HA 0.008 4.355 4.350 -0.005 0.000 0.257 301 T C 1.150 175.558 174.700 -0.488 0.000 1.105 301 T CA 0.743 62.579 62.100 -0.440 0.000 1.104 301 T CB -0.696 67.730 68.868 -0.737 0.000 0.925 301 T HN 0.338 nan 8.240 nan 0.000 0.498 302 F N -0.168 119.792 119.950 0.017 0.000 2.724 302 F HA 0.392 4.916 4.527 -0.006 0.000 0.306 302 F C 1.089 176.810 175.800 -0.132 0.000 1.100 302 F CA -0.887 57.157 58.000 0.073 0.000 1.255 302 F CB 0.388 39.389 39.000 0.001 0.000 1.072 302 F HN 0.275 nan 8.300 nan 0.000 0.589 303 H N 1.737 120.536 119.070 -0.452 0.000 2.661 303 H HA 0.277 4.830 4.556 -0.005 0.000 0.290 303 H C -0.818 174.029 175.328 -0.802 0.000 1.082 303 H CA -0.553 55.199 56.048 -0.493 0.000 1.234 303 H CB 0.127 29.776 29.762 -0.190 0.000 1.387 303 H HN 0.059 nan 8.280 nan 0.000 0.476 304 H N 3.852 122.970 119.070 0.079 0.000 2.529 304 H HA 0.280 4.833 4.556 -0.005 0.000 0.348 304 H C -0.655 174.559 175.328 -0.191 0.000 1.079 304 H CA -0.856 55.122 56.048 -0.117 0.000 1.198 304 H CB 1.937 31.646 29.762 -0.089 0.000 1.521 304 H HN 0.674 nan 8.280 nan 0.000 0.514 305 T N -0.446 114.000 114.554 -0.180 0.000 4.328 305 T HA 0.369 4.716 4.350 -0.005 0.000 0.356 305 T C -0.853 173.733 174.700 -0.190 0.000 0.889 305 T CA -0.788 61.198 62.100 -0.190 0.000 0.998 305 T CB 0.576 69.317 68.868 -0.210 0.000 1.122 305 T HN 0.744 nan 8.240 nan 0.000 0.467 306 T N 2.018 116.470 114.554 -0.170 0.000 1.959 306 T HA -0.027 4.319 4.350 -0.005 0.000 0.656 306 T C 1.099 175.719 174.700 -0.134 0.000 0.981 306 T CA -0.739 61.275 62.100 -0.144 0.000 3.169 306 T CB -0.174 68.615 68.868 -0.130 0.000 1.986 306 T HN 0.793 nan 8.240 nan 0.000 0.414 307 R N 0.888 121.316 120.500 -0.119 0.000 2.103 307 R HA -0.136 4.201 4.340 -0.005 0.000 0.242 307 R C 2.451 178.763 176.300 0.020 0.000 1.142 307 R CA 1.798 57.863 56.100 -0.059 0.000 0.960 307 R CB -0.285 30.007 30.300 -0.014 0.000 0.858 307 R HN 0.552 nan 8.270 nan 0.000 0.439 308 L N 1.618 122.826 121.223 -0.024 0.000 2.012 308 L HA -0.235 4.102 4.340 -0.005 0.000 0.210 308 L C 2.044 178.896 176.870 -0.030 0.000 1.073 308 L CA 2.012 56.839 54.840 -0.021 0.000 0.748 308 L CB -0.693 41.340 42.059 -0.044 0.000 0.891 308 L HN 0.132 nan 8.230 nan 0.000 0.431 309 N N -0.079 118.581 118.700 -0.067 0.000 2.027 309 N HA -0.302 4.434 4.740 -0.005 0.000 0.200 309 N C 1.766 177.235 175.510 -0.069 0.000 1.042 309 N CA 2.516 55.511 53.050 -0.091 0.000 0.871 309 N CB -0.198 38.204 38.487 -0.141 0.000 1.063 309 N HN 0.407 nan 8.380 nan 0.000 0.438 310 K N 0.120 120.494 120.400 -0.044 0.000 1.991 310 K HA -0.199 4.118 4.320 -0.005 0.000 0.212 310 K C 2.116 178.789 176.600 0.120 0.000 1.049 310 K CA 1.613 57.901 56.287 0.002 0.000 0.932 310 K CB -0.412 31.970 32.500 -0.197 0.000 0.717 310 K HN 0.379 nan 8.250 nan 0.000 0.441 311 E N 1.270 121.641 120.200 0.286 0.000 2.086 311 E HA -0.284 4.063 4.350 -0.005 0.000 0.205 311 E C 1.934 178.475 176.600 -0.099 0.000 1.027 311 E CA 1.739 58.191 56.400 0.087 0.000 0.830 311 E CB 0.042 29.766 29.700 0.038 0.000 0.751 311 E HN 0.286 nan 8.360 nan 0.000 0.456 312 E N -0.029 120.127 120.200 -0.074 0.000 2.130 312 E HA -0.228 4.119 4.350 -0.005 0.000 0.196 312 E C 2.132 178.648 176.600 -0.140 0.000 0.998 312 E CA 1.225 57.570 56.400 -0.092 0.000 0.806 312 E CB -0.014 29.651 29.700 -0.059 0.000 0.738 312 E HN 0.266 nan 8.360 nan 0.000 0.459 313 K N 0.353 120.627 120.400 -0.210 0.000 2.031 313 K HA -0.074 4.242 4.320 -0.005 0.000 0.205 313 K C 2.279 178.465 176.600 -0.690 0.000 1.049 313 K CA 0.976 57.065 56.287 -0.330 0.000 0.939 313 K CB -0.159 32.047 32.500 -0.490 0.000 0.717 313 K HN 0.012 nan 8.250 nan 0.000 0.438 314 V N 2.216 121.640 119.914 -0.815 0.000 2.358 314 V HA -0.217 3.900 4.120 -0.005 0.000 0.246 314 V C 2.108 177.839 176.094 -0.605 0.000 1.047 314 V CA 1.622 63.235 62.300 -1.146 0.000 1.035 314 V CB -0.401 30.980 31.823 -0.738 0.000 0.658 314 V HN 0.297 nan 8.190 nan 0.000 0.452 315 K N 0.009 120.205 120.400 -0.341 0.000 2.160 315 K HA -0.246 4.071 4.320 -0.005 0.000 0.206 315 K C 1.965 178.548 176.600 -0.028 0.000 1.047 315 K CA 1.831 58.026 56.287 -0.152 0.000 0.930 315 K CB -0.224 32.204 32.500 -0.121 0.000 0.720 315 K HN 0.602 nan 8.250 nan 0.000 0.450 316 E N -0.474 119.712 120.200 -0.023 0.000 2.333 316 E HA -0.134 4.212 4.350 -0.005 0.000 0.198 316 E C -0.055 176.741 176.600 0.326 0.000 1.007 316 E CA 0.301 56.784 56.400 0.138 0.000 0.845 316 E CB 0.040 29.846 29.700 0.177 0.000 0.766 316 E HN 0.228 nan 8.360 nan 0.000 0.507 317 W N 0.602 121.941 121.300 0.065 0.000 2.251 317 W HA 0.157 4.814 4.660 -0.006 0.000 0.329 317 W C 1.318 177.902 176.519 0.107 0.000 1.234 317 W CA -1.171 56.227 57.345 0.088 0.000 1.228 317 W CB 0.646 30.154 29.460 0.080 0.000 1.135 317 W HN -0.176 nan 8.180 nan 0.000 0.576 318 S N 0.949 116.851 115.700 0.337 0.000 2.446 318 S HA 0.037 4.504 4.470 -0.005 0.000 0.225 318 S C 0.090 174.838 174.600 0.247 0.000 1.016 318 S CA 0.330 58.680 58.200 0.251 0.000 0.943 318 S CB -0.005 63.321 63.200 0.211 0.000 0.786 318 S HN 0.270 nan 8.310 nan 0.000 0.508 319 L N 0.567 121.955 121.223 0.274 0.000 2.464 319 L HA 0.599 4.936 4.340 -0.005 0.000 0.266 319 L C -1.607 175.472 176.870 0.348 0.000 0.965 319 L CA -0.640 54.318 54.840 0.197 0.000 0.833 319 L CB 1.678 43.664 42.059 -0.120 0.000 1.296 319 L HN 0.103 nan 8.230 nan 0.000 0.405 320 C N 5.801 125.294 119.300 0.321 0.000 2.346 320 C HA 0.854 5.311 4.460 -0.005 0.000 0.326 320 C C -0.831 174.223 174.990 0.107 0.000 1.224 320 C CA -0.412 58.849 59.018 0.406 0.000 1.408 320 C CB 0.448 28.510 27.740 0.537 0.000 2.089 320 C HN 0.635 nan 8.230 nan 0.000 0.456 321 V N 5.924 125.848 119.914 0.017 0.000 2.435 321 V HA 0.753 4.870 4.120 -0.005 0.000 0.290 321 V C 0.615 176.687 176.094 -0.037 0.000 1.030 321 V CA -0.207 61.927 62.300 -0.277 0.000 0.881 321 V CB 1.522 33.175 31.823 -0.283 0.000 0.983 321 V HN 1.080 nan 8.190 nan 0.000 0.445 322 A N 3.610 126.446 122.820 0.026 0.000 2.276 322 A HA 0.762 5.079 4.320 -0.005 0.000 0.316 322 A C 0.427 178.094 177.584 0.138 0.000 1.229 322 A CA -0.332 51.763 52.037 0.097 0.000 0.851 322 A CB 0.739 19.843 19.000 0.174 0.000 1.165 322 A HN 0.918 nan 8.150 nan 0.000 0.513 323 T N -0.627 113.980 114.554 0.088 0.000 2.852 323 T HA 0.672 5.019 4.350 -0.005 0.000 0.281 323 T C -0.794 174.017 174.700 0.185 0.000 0.993 323 T CA -0.451 61.748 62.100 0.165 0.000 0.933 323 T CB 1.119 70.100 68.868 0.188 0.000 1.187 323 T HN 0.432 nan 8.240 nan 0.000 0.559 324 D N -0.371 120.159 120.400 0.217 0.000 2.591 324 D HA 0.452 5.088 4.640 -0.005 0.000 0.222 324 D C -1.197 175.221 176.300 0.197 0.000 1.360 324 D CA -0.328 53.778 54.000 0.176 0.000 0.967 324 D CB 1.617 42.474 40.800 0.095 0.000 1.456 324 D HN 0.498 nan 8.370 nan 0.000 0.588 325 V N 1.508 121.552 119.914 0.217 0.000 2.716 325 V HA 0.650 4.767 4.120 -0.005 0.000 0.304 325 V C 0.291 176.494 176.094 0.182 0.000 1.053 325 V CA -0.566 61.858 62.300 0.206 0.000 0.984 325 V CB 1.905 33.881 31.823 0.255 0.000 1.021 325 V HN 0.536 nan 8.190 nan 0.000 0.467 326 S N 1.941 117.736 115.700 0.159 0.000 2.449 326 S HA 0.382 4.849 4.470 -0.005 0.000 0.310 326 S C 0.068 174.858 174.600 0.317 0.000 1.096 326 S CA -0.379 57.933 58.200 0.186 0.000 1.095 326 S CB 0.363 63.644 63.200 0.135 0.000 1.007 326 S HN 0.937 nan 8.310 nan 0.000 0.474 327 D N 3.102 123.678 120.400 0.294 0.000 2.701 327 D HA -0.243 4.393 4.640 -0.005 0.000 0.235 327 D C 0.921 177.457 176.300 0.393 0.000 1.155 327 D CA 1.197 55.381 54.000 0.308 0.000 0.649 327 D CB -1.451 39.531 40.800 0.304 0.000 1.050 327 D HN 0.893 nan 8.370 nan 0.000 0.425 328 H N 0.360 119.584 119.070 0.257 0.000 2.272 328 H HA -0.212 4.341 4.556 -0.005 0.000 0.289 328 H C 1.134 176.613 175.328 0.252 0.000 1.100 328 H CA 2.398 58.598 56.048 0.253 0.000 1.209 328 H CB 0.244 30.118 29.762 0.188 0.000 1.348 328 H HN 0.333 nan 8.280 nan 0.000 0.481 329 D N -0.489 120.035 120.400 0.207 0.000 2.144 329 D HA -0.090 4.547 4.640 -0.005 0.000 0.199 329 D C 2.103 178.411 176.300 0.013 0.000 0.984 329 D CA 1.728 55.767 54.000 0.064 0.000 0.834 329 D CB -0.514 40.319 40.800 0.055 0.000 0.955 329 D HN 0.471 nan 8.370 nan 0.000 0.465 330 T N -0.407 114.148 114.554 0.003 0.000 2.951 330 T HA -0.017 4.330 4.350 -0.005 0.000 0.268 330 T C 1.704 176.307 174.700 -0.163 0.000 1.073 330 T CA 0.427 62.461 62.100 -0.110 0.000 1.134 330 T CB -0.208 68.539 68.868 -0.201 0.000 0.884 330 T HN 0.142 nan 8.240 nan 0.000 0.479 331 F N -0.632 119.318 119.950 -0.001 0.000 2.569 331 F HA 0.274 4.798 4.527 -0.004 0.000 0.295 331 F C 0.816 176.571 175.800 -0.076 0.000 1.115 331 F CA -1.150 56.837 58.000 -0.022 0.000 1.450 331 F CB 0.038 39.034 39.000 -0.007 0.000 1.107 331 F HN 0.129 nan 8.300 nan 0.000 0.563 332 W N 5.520 126.735 121.300 -0.142 0.000 2.551 332 W HA -0.043 4.613 4.660 -0.007 0.000 0.336 332 W C -2.163 174.198 176.519 -0.263 0.000 1.158 332 W CA -1.554 55.620 57.345 -0.284 0.000 1.258 332 W CB -0.031 29.231 29.460 -0.331 0.000 1.157 332 W HN -0.154 nan 8.180 nan 0.000 0.562 333 P HA 0.075 nan 4.420 nan 0.000 0.282 333 P C 0.608 177.330 177.300 -0.964 0.000 1.262 333 P CA 0.371 62.884 63.100 -0.978 0.000 0.773 333 P CB 1.287 31.976 31.700 -1.684 0.000 0.879 334 G N 3.984 112.544 108.800 -0.400 0.000 2.432 334 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.219 334 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.219 334 G C 1.296 176.067 174.900 -0.215 0.000 1.135 334 G CA 0.031 45.022 45.100 -0.182 0.000 0.767 334 G HN 0.724 nan 8.290 nan 0.000 0.550 335 W N 0.267 121.441 121.300 -0.211 0.000 2.374 335 W HA 0.025 4.681 4.660 -0.007 0.000 0.288 335 W C 1.659 178.007 176.519 -0.284 0.000 1.218 335 W CA 0.470 57.694 57.345 -0.203 0.000 1.245 335 W CB -0.941 28.413 29.460 -0.178 0.000 1.126 335 W HN 0.160 nan 8.180 nan 0.000 0.545 336 L N 2.365 123.090 121.223 -0.830 0.000 2.131 336 L HA -0.099 4.237 4.340 -0.005 0.000 0.210 336 L C 2.949 179.653 176.870 -0.276 0.000 1.092 336 L CA 1.977 56.368 54.840 -0.747 0.000 0.759 336 L CB -1.093 40.105 42.059 -1.435 0.000 0.903 336 L HN 0.009 nan 8.230 nan 0.000 0.435 337 R N -0.402 119.965 120.500 -0.222 0.000 2.082 337 R HA -0.189 4.148 4.340 -0.005 0.000 0.234 337 R C 1.840 178.210 176.300 0.116 0.000 1.136 337 R CA 2.111 58.297 56.100 0.142 0.000 0.935 337 R CB -0.453 29.956 30.300 0.182 0.000 0.842 337 R HN 0.368 nan 8.270 nan 0.000 0.430 338 D N 0.904 121.347 120.400 0.072 0.000 2.149 338 D HA -0.208 4.429 4.640 -0.005 0.000 0.198 338 D C 1.903 178.246 176.300 0.072 0.000 0.990 338 D CA 1.174 55.222 54.000 0.081 0.000 0.839 338 D CB -0.279 40.570 40.800 0.082 0.000 0.948 338 D HN 0.337 nan 8.370 nan 0.000 0.460 339 L N 0.151 121.418 121.223 0.074 0.000 2.044 339 L HA -0.078 4.259 4.340 -0.005 0.000 0.205 339 L C 2.255 179.145 176.870 0.033 0.000 1.075 339 L CA 0.885 55.760 54.840 0.058 0.000 0.747 339 L CB -0.138 41.967 42.059 0.078 0.000 0.903 339 L HN -0.071 nan 8.230 nan 0.000 0.435 340 I N -0.405 120.188 120.570 0.038 0.000 2.163 340 I HA -0.399 3.768 4.170 -0.005 0.000 0.243 340 I C 2.677 178.741 176.117 -0.088 0.000 1.085 340 I CA 1.530 62.819 61.300 -0.018 0.000 1.347 340 I CB -0.431 37.612 38.000 0.072 0.000 1.044 340 I HN 0.465 nan 8.210 nan 0.000 0.408 341 C N 0.367 119.678 119.300 0.018 0.000 2.413 341 C HA -0.220 4.237 4.460 -0.005 0.000 0.276 341 C C 2.574 177.553 174.990 -0.019 0.000 1.236 341 C CA 1.343 60.370 59.018 0.015 0.000 1.735 341 C CB -1.036 26.764 27.740 0.100 0.000 2.031 341 C HN 0.582 nan 8.230 nan 0.000 0.474 342 D N 0.572 120.976 120.400 0.007 0.000 2.108 342 D HA -0.207 4.430 4.640 -0.005 0.000 0.190 342 D C 2.034 178.325 176.300 -0.014 0.000 0.995 342 D CA 2.067 56.071 54.000 0.008 0.000 0.834 342 D CB -0.292 40.519 40.800 0.019 0.000 0.967 342 D HN 0.384 nan 8.370 nan 0.000 0.446 343 E N -0.148 120.035 120.200 -0.028 0.000 2.097 343 E HA -0.169 4.178 4.350 -0.005 0.000 0.196 343 E C 2.290 178.846 176.600 -0.074 0.000 1.000 343 E CA 1.001 57.379 56.400 -0.037 0.000 0.804 343 E CB -0.552 29.128 29.700 -0.034 0.000 0.740 343 E HN 0.437 nan 8.360 nan 0.000 0.454 344 L N -0.297 120.818 121.223 -0.181 0.000 2.013 344 L HA -0.240 4.097 4.340 -0.005 0.000 0.212 344 L C 2.540 179.390 176.870 -0.034 0.000 1.073 344 L CA 1.215 55.892 54.840 -0.272 0.000 0.753 344 L CB -0.446 41.308 42.059 -0.508 0.000 0.890 344 L HN 0.234 nan 8.230 nan 0.000 0.432 345 L N -0.413 120.804 121.223 -0.010 0.000 2.083 345 L HA -0.231 4.106 4.340 -0.005 0.000 0.209 345 L C 2.377 179.271 176.870 0.041 0.000 1.083 345 L CA 1.074 55.938 54.840 0.039 0.000 0.752 345 L CB -0.620 41.458 42.059 0.032 0.000 0.899 345 L HN 0.392 nan 8.230 nan 0.000 0.433 346 N N -0.037 118.679 118.700 0.026 0.000 2.188 346 N HA -0.153 4.584 4.740 -0.005 0.000 0.184 346 N C 1.810 177.345 175.510 0.042 0.000 1.018 346 N CA 1.373 54.440 53.050 0.028 0.000 0.858 346 N CB -0.247 38.252 38.487 0.021 0.000 0.989 346 N HN 0.387 nan 8.380 nan 0.000 0.426 347 M N -0.206 119.432 119.600 0.064 0.000 2.549 347 M HA 0.034 4.511 4.480 -0.005 0.000 0.260 347 M C 0.694 177.047 176.300 0.088 0.000 1.076 347 M CA 0.769 56.129 55.300 0.100 0.000 1.090 347 M CB -0.051 32.654 32.600 0.176 0.000 1.418 347 M HN 0.245 nan 8.290 nan 0.000 0.486 348 G N 0.357 109.206 108.800 0.082 0.000 2.248 348 G HA2 -0.258 3.698 3.960 -0.005 0.000 0.252 348 G HA3 -0.258 3.698 3.960 -0.005 0.000 0.252 348 G C -0.407 174.484 174.900 -0.014 0.000 1.085 348 G CA -0.595 44.520 45.100 0.026 0.000 0.845 348 G HN 0.441 nan 8.290 nan 0.000 0.494 349 Y N 0.165 120.394 120.300 -0.119 0.000 2.314 349 Y HA 0.458 5.005 4.550 -0.005 0.000 0.334 349 Y C 1.307 177.083 175.900 -0.206 0.000 1.266 349 Y CA 0.167 58.153 58.100 -0.191 0.000 1.391 349 Y CB 0.979 39.330 38.460 -0.181 0.000 1.306 349 Y HN 0.584 nan 8.280 nan 0.000 0.558 350 A N 5.122 127.776 122.820 -0.277 0.000 2.526 350 A HA 0.084 4.401 4.320 -0.005 0.000 0.267 350 A C -1.790 175.596 177.584 -0.331 0.000 1.095 350 A CA -1.075 50.692 52.037 -0.449 0.000 0.775 350 A CB -0.395 17.951 19.000 -1.090 0.000 1.036 350 A HN 0.638 nan 8.150 nan 0.000 0.510 351 P HA -0.224 nan 4.420 nan 0.000 0.217 351 P C 1.560 178.909 177.300 0.081 0.000 1.151 351 P CA 2.066 65.182 63.100 0.027 0.000 0.849 351 P CB -0.128 31.622 31.700 0.083 0.000 0.787 352 W N -2.088 119.299 121.300 0.145 0.000 2.363 352 W HA -0.114 4.543 4.660 -0.006 0.000 0.296 352 W C 2.009 178.624 176.519 0.160 0.000 1.212 352 W CA 0.292 57.711 57.345 0.122 0.000 1.260 352 W CB -1.892 27.628 29.460 0.099 0.000 1.131 352 W HN 0.054 nan 8.180 nan 0.000 0.530 353 W N 2.465 123.512 121.300 -0.422 0.000 2.379 353 W HA -0.166 4.491 4.660 -0.005 0.000 0.307 353 W C 2.494 179.018 176.519 0.008 0.000 1.200 353 W CA 3.100 60.280 57.345 -0.275 0.000 1.297 353 W CB -0.684 28.290 29.460 -0.810 0.000 1.140 353 W HN -0.280 nan 8.180 nan 0.000 0.507 354 V N 1.339 121.358 119.914 0.175 0.000 2.332 354 V HA -0.351 3.765 4.120 -0.005 0.000 0.248 354 V C 2.317 178.419 176.094 0.014 0.000 1.055 354 V CA 2.354 64.722 62.300 0.114 0.000 1.038 354 V CB -1.225 30.684 31.823 0.144 0.000 0.651 354 V HN 0.098 nan 8.190 nan 0.000 0.450 355 K N 0.457 120.889 120.400 0.053 0.000 2.063 355 K HA -0.146 4.171 4.320 -0.005 0.000 0.208 355 K C 1.896 178.516 176.600 0.033 0.000 1.048 355 K CA 1.690 58.025 56.287 0.081 0.000 0.928 355 K CB -0.615 31.967 32.500 0.136 0.000 0.713 355 K HN 0.441 nan 8.250 nan 0.000 0.442 356 L N -0.572 120.627 121.223 -0.040 0.000 2.017 356 L HA -0.137 4.199 4.340 -0.005 0.000 0.208 356 L C 2.270 179.023 176.870 -0.195 0.000 1.073 356 L CA 1.382 56.167 54.840 -0.093 0.000 0.745 356 L CB -0.579 41.397 42.059 -0.139 0.000 0.894 356 L HN 0.148 nan 8.230 nan 0.000 0.432 357 F N 1.121 120.741 119.950 -0.550 0.000 2.043 357 F HA -0.303 4.221 4.527 -0.004 0.000 0.297 357 F C 2.627 178.307 175.800 -0.201 0.000 1.121 357 F CA 2.180 59.889 58.000 -0.485 0.000 1.199 357 F CB -0.368 38.214 39.000 -0.696 0.000 0.968 357 F HN 0.130 nan 8.300 nan 0.000 0.478 358 E N -0.551 119.621 120.200 -0.047 0.000 2.068 358 E HA -0.292 4.055 4.350 -0.005 0.000 0.207 358 E C 2.008 178.535 176.600 -0.120 0.000 1.032 358 E CA 2.580 58.952 56.400 -0.048 0.000 0.839 358 E CB -0.442 29.290 29.700 0.053 0.000 0.758 358 E HN 0.463 nan 8.360 nan 0.000 0.457 359 T N 0.288 114.799 114.554 -0.071 0.000 2.803 359 T HA -0.195 4.152 4.350 -0.005 0.000 0.269 359 T C 2.013 176.644 174.700 -0.115 0.000 1.052 359 T CA 1.471 63.529 62.100 -0.070 0.000 1.136 359 T CB -0.455 68.420 68.868 0.012 0.000 0.864 359 T HN 0.354 nan 8.240 nan 0.000 0.467 360 S N 1.296 116.892 115.700 -0.173 0.000 2.469 360 S HA 0.016 4.483 4.470 -0.005 0.000 0.238 360 S C 1.414 175.970 174.600 -0.074 0.000 0.998 360 S CA 0.678 58.789 58.200 -0.149 0.000 0.957 360 S CB -0.589 62.469 63.200 -0.237 0.000 0.764 360 S HN 0.521 nan 8.310 nan 0.000 0.514 361 L N 0.094 121.215 121.223 -0.171 0.000 3.017 361 L HA 0.449 4.786 4.340 -0.005 0.000 0.255 361 L C 1.084 177.922 176.870 -0.053 0.000 1.247 361 L CA -0.117 54.642 54.840 -0.135 0.000 1.038 361 L CB 0.167 42.097 42.059 -0.215 0.000 1.380 361 L HN 0.172 nan 8.230 nan 0.000 0.548 362 K N -0.637 119.743 120.400 -0.034 0.000 2.585 362 K HA 0.233 4.549 4.320 -0.005 0.000 0.210 362 K C -0.065 176.515 176.600 -0.033 0.000 1.294 362 K CA -0.519 55.745 56.287 -0.038 0.000 1.025 362 K CB 1.255 33.715 32.500 -0.067 0.000 1.076 362 K HN 0.033 nan 8.250 nan 0.000 0.613 363 L N 3.352 124.584 121.223 0.015 0.000 2.529 363 L HA 0.033 4.369 4.340 -0.005 0.000 0.287 363 L C -2.297 174.622 176.870 0.082 0.000 1.241 363 L CA -0.921 53.932 54.840 0.021 0.000 0.857 363 L CB -0.003 42.084 42.059 0.047 0.000 1.113 363 L HN -0.070 nan 8.230 nan 0.000 0.504 364 P HA 0.317 nan 4.420 nan 0.000 0.275 364 P C -1.588 175.802 177.300 0.149 0.000 1.266 364 P CA -0.335 62.809 63.100 0.074 0.000 0.793 364 P CB 0.836 32.559 31.700 0.039 0.000 1.074 365 V N -2.049 117.966 119.914 0.168 0.000 2.760 365 V HA 0.497 4.614 4.120 -0.005 0.000 0.309 365 V C -1.660 174.575 176.094 0.235 0.000 1.077 365 V CA -0.983 61.437 62.300 0.199 0.000 0.910 365 V CB 1.570 33.463 31.823 0.117 0.000 1.008 365 V HN 0.438 nan 8.190 nan 0.000 0.424 366 Y N 4.456 124.840 120.300 0.141 0.000 2.404 366 Y HA 0.697 5.245 4.550 -0.003 0.000 0.344 366 Y C -0.134 175.796 175.900 0.050 0.000 0.970 366 Y CA -0.540 57.669 58.100 0.181 0.000 1.180 366 Y CB 1.405 40.051 38.460 0.310 0.000 1.138 366 Y HN 0.709 nan 8.280 nan 0.000 0.510 367 V N 7.901 127.546 119.914 -0.449 0.000 2.488 367 V HA 0.227 4.343 4.120 -0.005 0.000 0.277 367 V C 0.908 176.548 176.094 -0.756 0.000 1.046 367 V CA 0.648 62.632 62.300 -0.527 0.000 0.986 367 V CB 0.739 32.226 31.823 -0.559 0.000 0.989 367 V HN 1.075 nan 8.190 nan 0.000 0.475 368 G N 3.817 112.282 108.800 -0.559 0.000 2.561 368 G HA2 0.390 4.347 3.960 -0.005 0.000 0.208 368 G HA3 0.390 4.347 3.960 -0.005 0.000 0.208 368 G C 0.282 174.952 174.900 -0.383 0.000 1.510 368 G CA 0.518 45.331 45.100 -0.478 0.000 0.941 368 G HN 1.062 nan 8.290 nan 0.000 0.478 369 A N 0.463 123.201 122.820 -0.136 0.000 2.815 369 A HA 0.645 4.962 4.320 -0.005 0.000 0.318 369 A C -1.597 175.979 177.584 -0.013 0.000 1.186 369 A CA -0.880 51.162 52.037 0.008 0.000 0.754 369 A CB 1.505 20.602 19.000 0.161 0.000 1.151 369 A HN 0.257 nan 8.150 nan 0.000 0.452 370 P HA 0.152 nan 4.420 nan 0.000 0.230 370 P C 0.449 177.653 177.300 -0.161 0.000 1.158 370 P CA 1.555 64.326 63.100 -0.549 0.000 0.769 370 P CB 0.370 31.704 31.700 -0.611 0.000 0.807 371 A N -1.292 121.559 122.820 0.051 0.000 2.544 371 A HA 0.597 4.914 4.320 -0.005 0.000 0.291 371 A C -3.206 174.268 177.584 -0.184 0.000 1.055 371 A CA -1.381 50.577 52.037 -0.132 0.000 0.651 371 A CB 0.238 19.160 19.000 -0.129 0.000 1.296 371 A HN -0.258 nan 8.150 nan 0.000 0.431 372 P HA 0.293 nan 4.420 nan 0.000 0.269 372 P C -0.587 176.680 177.300 -0.055 0.000 1.209 372 P CA 0.705 63.667 63.100 -0.230 0.000 0.776 372 P CB 0.286 31.789 31.700 -0.328 0.000 0.876 373 E N -1.099 119.114 120.200 0.021 0.000 2.586 373 E HA -0.266 4.081 4.350 -0.005 0.000 0.259 373 E C -0.221 176.423 176.600 0.072 0.000 1.107 373 E CA 1.057 57.472 56.400 0.025 0.000 0.754 373 E CB -1.715 27.984 29.700 -0.002 0.000 1.335 373 E HN 0.625 nan 8.360 nan 0.000 0.411 374 Q N -1.456 118.428 119.800 0.141 0.000 2.391 374 Q HA 0.536 4.872 4.340 -0.005 0.000 0.279 374 Q C 0.103 176.298 176.000 0.325 0.000 1.028 374 Q CA 0.103 56.052 55.803 0.243 0.000 0.836 374 Q CB 2.056 30.939 28.738 0.241 0.000 1.414 374 Q HN 0.288 nan 8.270 nan 0.000 0.397 375 G N 1.054 110.123 108.800 0.447 0.000 2.384 375 G HA2 -0.174 3.782 3.960 -0.005 0.000 0.200 375 G HA3 -0.174 3.782 3.960 -0.005 0.000 0.200 375 G C -1.116 174.006 174.900 0.371 0.000 1.205 375 G CA 0.004 45.266 45.100 0.270 0.000 1.116 375 G HN 1.110 nan 8.290 nan 0.000 0.547 376 H N -0.336 118.703 119.070 -0.051 0.000 2.604 376 H HA -0.047 4.505 4.556 -0.007 0.000 0.321 376 H C 0.330 175.717 175.328 0.097 0.000 1.132 376 H CA 1.535 57.598 56.048 0.024 0.000 1.129 376 H CB -1.868 27.990 29.762 0.161 0.000 1.526 376 H HN 0.832 nan 8.280 nan 0.000 0.415 377 T N 0.515 115.065 114.554 -0.006 0.000 2.912 377 T HA 0.504 4.851 4.350 -0.005 0.000 0.299 377 T C -0.411 174.414 174.700 0.207 0.000 1.052 377 T CA -0.890 61.371 62.100 0.269 0.000 0.996 377 T CB 2.124 71.297 68.868 0.507 0.000 1.070 377 T HN 0.236 nan 8.240 nan 0.000 0.465 378 L N 3.962 125.466 121.223 0.467 0.000 2.287 378 L HA 0.664 5.001 4.340 -0.005 0.000 0.287 378 L C -1.387 175.774 176.870 0.485 0.000 1.022 378 L CA -0.446 54.700 54.840 0.509 0.000 0.814 378 L CB 0.368 42.752 42.059 0.542 0.000 1.217 378 L HN 0.573 nan 8.230 nan 0.000 0.420 379 L N 5.894 127.336 121.223 0.366 0.000 2.295 379 L HA 0.874 5.211 4.340 -0.005 0.000 0.285 379 L C 0.636 177.657 176.870 0.252 0.000 1.035 379 L CA -0.411 54.606 54.840 0.295 0.000 0.806 379 L CB 1.135 43.325 42.059 0.219 0.000 1.214 379 L HN 0.937 nan 8.230 nan 0.000 0.426 380 G N 1.913 110.868 108.800 0.259 0.000 2.719 380 G HA2 -0.151 3.805 3.960 -0.005 0.000 0.686 380 G HA3 -0.151 3.805 3.960 -0.005 0.000 0.686 380 G C -1.309 173.770 174.900 0.298 0.000 1.201 380 G CA -0.828 44.397 45.100 0.209 0.000 0.768 380 G HN 0.730 nan 8.290 nan 0.000 0.629 381 D N 2.260 122.787 120.400 0.211 0.000 2.329 381 D HA 0.577 5.214 4.640 -0.005 0.000 0.232 381 D C -0.925 175.342 176.300 -0.055 0.000 1.088 381 D CA -2.416 51.656 54.000 0.120 0.000 0.835 381 D CB 1.695 42.620 40.800 0.209 0.000 1.078 381 D HN 0.026 nan 8.370 nan 0.000 0.495 382 P HA -0.068 nan 4.420 nan 0.000 0.220 382 P C 1.232 178.442 177.300 -0.150 0.000 1.148 382 P CA 0.715 63.692 63.100 -0.204 0.000 0.803 382 P CB 0.339 31.863 31.700 -0.294 0.000 0.782 383 S N -1.137 114.520 115.700 -0.070 0.000 2.402 383 S HA -0.143 4.324 4.470 -0.005 0.000 0.233 383 S C 1.069 175.726 174.600 0.095 0.000 1.030 383 S CA 1.050 59.281 58.200 0.051 0.000 1.003 383 S CB -0.663 62.569 63.200 0.054 0.000 0.813 383 S HN 0.253 nan 8.310 nan 0.000 0.477 384 N N 0.560 119.221 118.700 -0.065 0.000 2.701 384 N HA 0.204 4.941 4.740 -0.005 0.000 0.258 384 N C -3.550 171.789 175.510 -0.286 0.000 1.262 384 N CA -1.367 51.578 53.050 -0.176 0.000 0.780 384 N CB 1.159 39.674 38.487 0.046 0.000 1.380 384 N HN -0.109 nan 8.380 nan 0.000 0.548 385 P HA 0.041 nan 4.420 nan 0.000 0.255 385 P C -0.521 176.663 177.300 -0.193 0.000 1.173 385 P CA 0.492 63.382 63.100 -0.351 0.000 0.780 385 P CB 0.230 31.645 31.700 -0.476 0.000 0.758 386 D N 1.475 121.817 120.400 -0.097 0.000 2.636 386 D HA 0.078 4.715 4.640 -0.005 0.000 0.270 386 D C -0.087 176.198 176.300 -0.025 0.000 1.430 386 D CA -0.178 53.793 54.000 -0.048 0.000 0.796 386 D CB -0.335 40.450 40.800 -0.024 0.000 1.117 386 D HN -0.009 nan 8.370 nan 0.000 0.480 387 L N 1.008 122.217 121.223 -0.024 0.000 2.452 387 L HA 0.366 4.702 4.340 -0.005 0.000 0.267 387 L C 0.614 177.477 176.870 -0.011 0.000 1.188 387 L CA 0.630 55.464 54.840 -0.010 0.000 0.821 387 L CB 0.577 42.637 42.059 0.003 0.000 1.102 387 L HN 0.143 nan 8.230 nan 0.000 0.470 388 E N 2.017 122.210 120.200 -0.013 0.000 3.568 388 E HA 0.127 4.474 4.350 -0.005 0.000 0.213 388 E C 0.562 177.151 176.600 -0.019 0.000 1.197 388 E CA -0.024 56.371 56.400 -0.008 0.000 1.126 388 E CB 0.941 30.637 29.700 -0.006 0.000 1.285 388 E HN 0.450 nan 8.360 nan 0.000 0.418 389 V N -1.395 118.502 119.914 -0.028 0.000 3.647 389 V HA 0.462 4.578 4.120 -0.005 0.000 0.279 389 V C 0.897 176.963 176.094 -0.046 0.000 1.314 389 V CA 0.828 63.098 62.300 -0.050 0.000 1.125 389 V CB -0.300 31.477 31.823 -0.075 0.000 0.907 389 V HN 0.480 nan 8.190 nan 0.000 0.434 390 G N 0.501 109.309 108.800 0.013 0.000 2.484 390 G HA2 -0.189 3.767 3.960 -0.005 0.000 0.225 390 G HA3 -0.189 3.767 3.960 -0.005 0.000 0.225 390 G C -0.577 174.323 174.900 0.000 0.000 1.250 390 G CA -0.184 44.979 45.100 0.104 0.000 0.926 390 G HN 0.494 nan 8.290 nan 0.000 0.581 391 L N 1.297 122.445 121.223 -0.126 0.000 2.313 391 L HA 0.504 4.840 4.340 -0.005 0.000 0.282 391 L C 0.967 177.639 176.870 -0.330 0.000 1.092 391 L CA -0.001 54.583 54.840 -0.427 0.000 0.831 391 L CB 1.274 43.011 42.059 -0.537 0.000 1.159 391 L HN 0.653 nan 8.230 nan 0.000 0.442 392 S N 1.325 116.773 115.700 -0.421 0.000 2.452 392 S HA 0.075 4.542 4.470 -0.005 0.000 0.284 392 S C 1.277 175.641 174.600 -0.394 0.000 1.171 392 S CA -0.418 57.461 58.200 -0.535 0.000 1.064 392 S CB 1.120 63.710 63.200 -1.017 0.000 0.967 392 S HN 0.770 nan 8.310 nan 0.000 0.484 393 S N 3.823 119.358 115.700 -0.275 0.000 2.440 393 S HA -0.057 4.410 4.470 -0.005 0.000 0.240 393 S C 1.496 176.047 174.600 -0.082 0.000 1.014 393 S CA 1.049 59.161 58.200 -0.148 0.000 0.980 393 S CB -0.461 62.682 63.200 -0.096 0.000 0.775 393 S HN 0.849 nan 8.310 nan 0.000 0.499 394 G N 0.142 108.902 108.800 -0.067 0.000 3.233 394 G HA2 0.164 4.120 3.960 -0.005 0.000 0.234 394 G HA3 0.164 4.120 3.960 -0.005 0.000 0.234 394 G C 0.250 175.285 174.900 0.226 0.000 1.137 394 G CA -0.432 44.740 45.100 0.121 0.000 0.763 394 G HN 0.445 nan 8.290 nan 0.000 0.549 395 Q N 0.819 120.694 119.800 0.124 0.000 2.364 395 Q HA 0.148 4.485 4.340 -0.005 0.000 0.267 395 Q C 1.508 177.554 176.000 0.077 0.000 0.999 395 Q CA 0.280 56.164 55.803 0.134 0.000 0.886 395 Q CB 1.323 30.035 28.738 -0.044 0.000 1.243 395 Q HN 0.111 nan 8.270 nan 0.000 0.415 396 G N 2.512 111.368 108.800 0.092 0.000 2.653 396 G HA2 -0.017 3.939 3.960 -0.005 0.000 0.212 396 G HA3 -0.017 3.939 3.960 -0.005 0.000 0.212 396 G C 0.574 175.555 174.900 0.134 0.000 1.138 396 G CA 0.721 45.892 45.100 0.119 0.000 0.782 396 G HN 0.611 nan 8.290 nan 0.000 0.535 397 A N -0.290 122.604 122.820 0.124 0.000 2.543 397 A HA 0.421 4.738 4.320 -0.005 0.000 0.279 397 A C 1.744 179.364 177.584 0.059 0.000 0.917 397 A CA 0.870 52.993 52.037 0.143 0.000 1.036 397 A CB -0.451 18.737 19.000 0.313 0.000 1.227 397 A HN 0.260 nan 8.150 nan 0.000 0.503 398 T N -1.122 113.418 114.554 -0.024 0.000 2.897 398 T HA -0.200 4.147 4.350 -0.005 0.000 0.271 398 T C 1.349 176.007 174.700 -0.070 0.000 1.084 398 T CA 1.648 63.677 62.100 -0.118 0.000 1.123 398 T CB -0.459 68.325 68.868 -0.140 0.000 0.865 398 T HN 0.561 nan 8.240 nan 0.000 0.496 399 D N 2.041 122.430 120.400 -0.019 0.000 2.103 399 D HA -0.057 4.580 4.640 -0.005 0.000 0.199 399 D C 2.180 178.477 176.300 -0.005 0.000 0.978 399 D CA 0.636 54.633 54.000 -0.006 0.000 0.829 399 D CB -0.833 39.973 40.800 0.010 0.000 0.981 399 D HN 0.421 nan 8.370 nan 0.000 0.464 400 L N -0.400 120.817 121.223 -0.009 0.000 2.079 400 L HA -0.142 4.195 4.340 -0.005 0.000 0.210 400 L C 2.760 179.697 176.870 0.110 0.000 1.081 400 L CA 0.910 55.745 54.840 -0.007 0.000 0.752 400 L CB -0.450 41.610 42.059 0.001 0.000 0.896 400 L HN -0.024 nan 8.230 nan 0.000 0.433 401 M N -0.392 119.276 119.600 0.114 0.000 2.117 401 M HA -0.094 4.383 4.480 -0.005 0.000 0.262 401 M C 2.417 178.923 176.300 0.343 0.000 1.065 401 M CA 1.923 57.331 55.300 0.180 0.000 1.114 401 M CB -1.810 30.625 32.600 -0.275 0.000 1.361 401 M HN 0.312 nan 8.290 nan 0.000 0.408 402 G N -0.598 108.317 108.800 0.191 0.000 2.408 402 G HA2 -0.160 3.796 3.960 -0.005 0.000 0.217 402 G HA3 -0.160 3.796 3.960 -0.005 0.000 0.217 402 G C 1.567 176.672 174.900 0.342 0.000 1.150 402 G CA 1.369 46.718 45.100 0.415 0.000 0.776 402 G HN 0.410 nan 8.290 nan 0.000 0.542 403 T N 1.350 116.021 114.554 0.195 0.000 2.737 403 T HA -0.083 4.264 4.350 -0.005 0.000 0.265 403 T C 2.205 177.042 174.700 0.228 0.000 1.038 403 T CA 0.977 63.172 62.100 0.159 0.000 1.144 403 T CB -0.249 68.587 68.868 -0.054 0.000 0.866 403 T HN 0.090 nan 8.240 nan 0.000 0.434 404 L N 1.756 123.122 121.223 0.239 0.000 1.989 404 L HA -0.024 4.313 4.340 -0.005 0.000 0.211 404 L C 2.286 179.391 176.870 0.391 0.000 1.071 404 L CA 1.760 56.802 54.840 0.336 0.000 0.749 404 L CB -1.598 40.677 42.059 0.359 0.000 0.890 404 L HN 0.265 nan 8.230 nan 0.000 0.431 405 L N -0.432 121.029 121.223 0.397 0.000 1.971 405 L HA -0.248 4.089 4.340 -0.005 0.000 0.215 405 L C 2.442 179.462 176.870 0.250 0.000 1.072 405 L CA 2.213 57.236 54.840 0.304 0.000 0.758 405 L CB -0.677 41.533 42.059 0.251 0.000 0.889 405 L HN 0.234 nan 8.230 nan 0.000 0.433 406 M N -0.873 118.863 119.600 0.227 0.000 2.086 406 M HA -0.158 4.319 4.480 -0.005 0.000 0.261 406 M C 2.621 178.931 176.300 0.016 0.000 1.067 406 M CA 1.893 57.187 55.300 -0.010 0.000 1.116 406 M CB -1.741 30.873 32.600 0.024 0.000 1.348 406 M HN 0.534 nan 8.290 nan 0.000 0.407 407 S N 0.822 116.736 115.700 0.356 0.000 2.359 407 S HA -0.127 4.339 4.470 -0.005 0.000 0.223 407 S C 1.919 176.788 174.600 0.449 0.000 1.039 407 S CA 1.166 59.722 58.200 0.592 0.000 1.042 407 S CB -0.078 63.591 63.200 0.782 0.000 0.915 407 S HN 0.275 nan 8.310 nan 0.000 0.439 408 I N 1.481 122.212 120.570 0.268 0.000 2.163 408 I HA -0.136 4.030 4.170 -0.005 0.000 0.243 408 I C 2.548 178.616 176.117 -0.083 0.000 1.085 408 I CA 1.628 62.894 61.300 -0.057 0.000 1.347 408 I CB -2.184 35.515 38.000 -0.502 0.000 1.044 408 I HN 0.329 nan 8.210 nan 0.000 0.408 409 T N 0.589 115.128 114.554 -0.024 0.000 2.699 409 T HA -0.231 4.115 4.350 -0.005 0.000 0.268 409 T C 1.883 176.660 174.700 0.127 0.000 1.036 409 T CA 1.680 63.807 62.100 0.045 0.000 1.147 409 T CB -0.371 68.489 68.868 -0.014 0.000 0.862 409 T HN 0.173 nan 8.240 nan 0.000 0.446 410 Y N 0.704 121.116 120.300 0.187 0.000 2.181 410 Y HA 0.017 4.564 4.550 -0.005 0.000 0.288 410 Y C 2.172 178.141 175.900 0.114 0.000 1.146 410 Y CA 0.075 58.279 58.100 0.174 0.000 1.164 410 Y CB -1.061 37.515 38.460 0.193 0.000 0.982 410 Y HN 0.121 nan 8.280 nan 0.000 0.515 411 L N -0.577 120.783 121.223 0.229 0.000 2.017 411 L HA -0.143 4.194 4.340 -0.005 0.000 0.208 411 L C 2.196 179.031 176.870 -0.058 0.000 1.073 411 L CA 1.479 56.283 54.840 -0.061 0.000 0.745 411 L CB -1.048 40.846 42.059 -0.275 0.000 0.894 411 L HN 0.038 nan 8.230 nan 0.000 0.432 412 V N -0.388 119.525 119.914 -0.003 0.000 2.490 412 V HA -0.331 3.786 4.120 -0.005 0.000 0.250 412 V C 2.626 178.775 176.094 0.091 0.000 1.061 412 V CA 2.085 64.398 62.300 0.022 0.000 1.064 412 V CB -0.484 31.393 31.823 0.091 0.000 0.670 412 V HN 0.599 nan 8.190 nan 0.000 0.461 413 M N -0.732 118.981 119.600 0.189 0.000 2.117 413 M HA -0.245 4.232 4.480 -0.005 0.000 0.262 413 M C 2.327 178.806 176.300 0.298 0.000 1.065 413 M CA 1.864 57.342 55.300 0.297 0.000 1.114 413 M CB -0.127 32.692 32.600 0.365 0.000 1.361 413 M HN 0.356 nan 8.290 nan 0.000 0.408 414 Q N 0.051 119.981 119.800 0.217 0.000 2.079 414 Q HA -0.155 4.182 4.340 -0.005 0.000 0.200 414 Q C 2.070 178.141 176.000 0.118 0.000 0.974 414 Q CA 1.515 57.449 55.803 0.219 0.000 0.840 414 Q CB -0.236 28.536 28.738 0.056 0.000 0.898 414 Q HN 0.547 nan 8.270 nan 0.000 0.430 415 L N 0.713 121.938 121.223 0.002 0.000 2.017 415 L HA -0.221 4.116 4.340 -0.005 0.000 0.208 415 L C 1.918 178.748 176.870 -0.067 0.000 1.073 415 L CA 1.032 55.826 54.840 -0.076 0.000 0.745 415 L CB -0.461 41.516 42.059 -0.136 0.000 0.894 415 L HN 0.173 nan 8.230 nan 0.000 0.432 416 D N -0.823 119.531 120.400 -0.077 0.000 2.104 416 D HA -0.173 4.463 4.640 -0.005 0.000 0.194 416 D C 1.957 178.091 176.300 -0.277 0.000 0.994 416 D CA 1.390 55.256 54.000 -0.224 0.000 0.830 416 D CB -0.131 40.462 40.800 -0.345 0.000 0.959 416 D HN 0.410 nan 8.370 nan 0.000 0.452 417 H N -1.684 117.431 119.070 0.076 0.000 2.586 417 H HA 0.219 4.771 4.556 -0.006 0.000 0.273 417 H C 1.102 176.482 175.328 0.087 0.000 0.997 417 H CA 1.131 57.225 56.048 0.078 0.000 1.177 417 H CB 0.828 30.645 29.762 0.092 0.000 1.471 417 H HN 0.261 nan 8.280 nan 0.000 0.538 418 T N -4.115 110.557 114.554 0.197 0.000 3.177 418 T HA 0.329 4.676 4.350 -0.005 0.000 0.267 418 T C 1.031 175.827 174.700 0.160 0.000 0.858 418 T CA 0.270 62.492 62.100 0.203 0.000 0.846 418 T CB 0.023 69.092 68.868 0.336 0.000 1.256 418 T HN 0.137 nan 8.240 nan 0.000 0.601 419 A N 2.444 125.276 122.820 0.021 0.000 2.795 419 A HA 0.603 4.919 4.320 -0.005 0.000 0.282 419 A C -1.396 175.961 177.584 -0.378 0.000 0.964 419 A CA -0.834 51.033 52.037 -0.284 0.000 1.045 419 A CB 0.389 19.213 19.000 -0.293 0.000 1.174 419 A HN 0.291 nan 8.150 nan 0.000 0.493 420 P HA -0.228 nan 4.420 nan 0.000 0.222 420 P C 0.845 178.080 177.300 -0.108 0.000 1.142 420 P CA 1.236 64.267 63.100 -0.113 0.000 0.788 420 P CB -0.520 31.163 31.700 -0.030 0.000 0.767 421 H N -1.285 117.772 119.070 -0.022 0.000 2.562 421 H HA 0.182 4.734 4.556 -0.005 0.000 0.274 421 H C 1.267 176.569 175.328 -0.044 0.000 1.038 421 H CA 0.067 56.101 56.048 -0.023 0.000 1.161 421 H CB -0.637 29.127 29.762 0.002 0.000 1.318 421 H HN 0.227 nan 8.280 nan 0.000 0.617 422 L N -0.193 120.871 121.223 -0.266 0.000 2.717 422 L HA 0.053 4.390 4.340 -0.005 0.000 0.239 422 L C 1.627 178.303 176.870 -0.323 0.000 1.086 422 L CA -0.105 54.576 54.840 -0.266 0.000 0.897 422 L CB 0.024 41.872 42.059 -0.351 0.000 1.214 422 L HN 0.081 nan 8.230 nan 0.000 0.508 423 N N 0.903 119.441 118.700 -0.271 0.000 2.184 423 N HA -0.199 4.537 4.740 -0.005 0.000 0.190 423 N C 1.825 177.205 175.510 -0.216 0.000 1.011 423 N CA 1.895 54.792 53.050 -0.256 0.000 0.867 423 N CB -0.281 38.102 38.487 -0.173 0.000 0.993 423 N HN 0.379 nan 8.380 nan 0.000 0.433 424 S N 0.319 115.926 115.700 -0.154 0.000 2.547 424 S HA 0.033 4.500 4.470 -0.005 0.000 0.235 424 S C 1.520 176.050 174.600 -0.118 0.000 0.980 424 S CA 0.401 58.536 58.200 -0.107 0.000 0.941 424 S CB -0.064 63.101 63.200 -0.058 0.000 0.763 424 S HN 0.325 nan 8.310 nan 0.000 0.532 425 R N 0.279 120.665 120.500 -0.190 0.000 2.334 425 R HA 0.393 4.729 4.340 -0.005 0.000 0.216 425 R C -0.235 175.941 176.300 -0.206 0.000 0.905 425 R CA 0.231 56.231 56.100 -0.166 0.000 1.064 425 R CB 0.074 30.282 30.300 -0.154 0.000 1.046 425 R HN 0.441 nan 8.270 nan 0.000 0.508 426 I N 1.147 121.559 120.570 -0.265 0.000 2.557 426 I HA 0.168 4.335 4.170 -0.005 0.000 0.277 426 I C 0.327 176.365 176.117 -0.132 0.000 1.106 426 I CA -0.044 61.124 61.300 -0.220 0.000 1.180 426 I CB 1.241 39.043 38.000 -0.330 0.000 1.392 426 I HN -0.110 nan 8.210 nan 0.000 0.506 427 K N 2.482 122.833 120.400 -0.080 0.000 2.402 427 K HA 0.179 4.496 4.320 -0.005 0.000 0.203 427 K C -0.636 175.942 176.600 -0.036 0.000 1.077 427 K CA 0.030 56.283 56.287 -0.057 0.000 1.051 427 K CB 0.546 33.019 32.500 -0.045 0.000 0.907 427 K HN 0.629 nan 8.250 nan 0.000 0.554 428 D N -2.369 118.015 120.400 -0.027 0.000 2.738 428 D HA 0.049 4.686 4.640 -0.005 0.000 0.308 428 D C 0.630 176.927 176.300 -0.006 0.000 1.311 428 D CA -0.714 53.278 54.000 -0.013 0.000 0.799 428 D CB 0.079 40.875 40.800 -0.007 0.000 1.332 428 D HN -0.356 nan 8.370 nan 0.000 0.441 429 M N -0.645 118.958 119.600 0.004 0.000 2.065 429 M HA 0.001 4.478 4.480 -0.005 0.000 0.259 429 M C -0.999 175.311 176.300 0.017 0.000 1.069 429 M CA 1.794 57.101 55.300 0.012 0.000 1.110 429 M CB -2.409 30.202 32.600 0.018 0.000 1.328 429 M HN 0.380 nan 8.290 nan 0.000 0.405 430 P HA -0.147 nan 4.420 nan 0.000 0.213 430 P C 1.776 179.095 177.300 0.032 0.000 1.176 430 P CA 2.553 65.668 63.100 0.026 0.000 0.919 430 P CB -0.287 31.426 31.700 0.022 0.000 0.791 431 S N -0.432 115.283 115.700 0.025 0.000 2.370 431 S HA -0.213 4.254 4.470 -0.005 0.000 0.226 431 S C 2.128 176.765 174.600 0.062 0.000 1.033 431 S CA 1.448 59.670 58.200 0.037 0.000 1.011 431 S CB -1.684 61.521 63.200 0.007 0.000 0.852 431 S HN 0.151 nan 8.310 nan 0.000 0.457 432 A N 1.288 124.125 122.820 0.029 0.000 1.873 432 A HA -0.147 4.169 4.320 -0.005 0.000 0.218 432 A C 2.599 180.211 177.584 0.047 0.000 1.193 432 A CA 1.797 53.853 52.037 0.031 0.000 0.629 432 A CB -1.702 17.294 19.000 -0.007 0.000 0.826 432 A HN 0.715 nan 8.150 nan 0.000 0.447 433 C N -0.993 118.321 119.300 0.022 0.000 2.413 433 C HA -0.140 4.316 4.460 -0.005 0.000 0.278 433 C C 2.881 177.881 174.990 0.017 0.000 1.224 433 C CA 1.275 60.297 59.018 0.006 0.000 1.732 433 C CB -1.455 26.306 27.740 0.034 0.000 2.050 433 C HN 0.635 nan 8.230 nan 0.000 0.463 434 R N -0.260 120.275 120.500 0.057 0.000 2.103 434 R HA -0.196 4.140 4.340 -0.005 0.000 0.242 434 R C 2.083 178.415 176.300 0.053 0.000 1.142 434 R CA 1.927 58.068 56.100 0.068 0.000 0.960 434 R CB -0.712 29.636 30.300 0.081 0.000 0.858 434 R HN 0.598 nan 8.270 nan 0.000 0.439 435 F N 1.448 121.371 119.950 -0.045 0.000 2.102 435 F HA -0.181 4.342 4.527 -0.006 0.000 0.298 435 F C 2.017 177.759 175.800 -0.096 0.000 1.105 435 F CA 1.237 59.199 58.000 -0.064 0.000 1.239 435 F CB -0.360 38.579 39.000 -0.102 0.000 0.991 435 F HN -0.072 nan 8.300 nan 0.000 0.474 436 L N 0.826 121.854 121.223 -0.324 0.000 2.027 436 L HA -0.185 4.152 4.340 -0.005 0.000 0.206 436 L C 2.263 178.819 176.870 -0.524 0.000 1.074 436 L CA 2.268 56.757 54.840 -0.585 0.000 0.745 436 L CB -1.368 40.301 42.059 -0.651 0.000 0.898 436 L HN 0.330 nan 8.230 nan 0.000 0.433 437 D N -1.420 118.823 120.400 -0.263 0.000 2.133 437 D HA -0.244 4.393 4.640 -0.005 0.000 0.195 437 D C 2.063 178.407 176.300 0.074 0.000 0.997 437 D CA 1.575 55.584 54.000 0.015 0.000 0.840 437 D CB 0.223 41.135 40.800 0.188 0.000 0.947 437 D HN 0.471 nan 8.370 nan 0.000 0.452 438 S N -1.249 114.415 115.700 -0.059 0.000 2.355 438 S HA -0.196 4.271 4.470 -0.005 0.000 0.222 438 S C 2.098 176.613 174.600 -0.142 0.000 1.031 438 S CA 0.989 59.172 58.200 -0.029 0.000 0.993 438 S CB -0.751 62.404 63.200 -0.075 0.000 0.859 438 S HN 0.494 nan 8.310 nan 0.000 0.453 439 Y N 0.609 120.603 120.300 -0.510 0.000 2.081 439 Y HA -0.207 4.340 4.550 -0.006 0.000 0.280 439 Y C 1.973 177.771 175.900 -0.170 0.000 1.163 439 Y CA 2.270 60.079 58.100 -0.485 0.000 1.135 439 Y CB -0.452 37.563 38.460 -0.742 0.000 0.970 439 Y HN 0.367 nan 8.280 nan 0.000 0.498 440 W N 1.009 122.092 121.300 -0.363 0.000 2.468 440 W HA -0.129 4.527 4.660 -0.006 0.000 0.262 440 W C 1.834 178.222 176.519 -0.218 0.000 1.241 440 W CA 1.061 58.171 57.345 -0.391 0.000 1.232 440 W CB -0.710 28.515 29.460 -0.392 0.000 1.124 440 W HN 0.386 nan 8.180 nan 0.000 0.597 441 Q N -0.711 119.084 119.800 -0.008 0.000 2.403 441 Q HA 0.192 4.529 4.340 -0.005 0.000 0.203 441 Q C 1.581 177.120 176.000 -0.767 0.000 0.932 441 Q CA 0.718 56.392 55.803 -0.215 0.000 0.945 441 Q CB 0.068 28.676 28.738 -0.217 0.000 1.045 441 Q HN 0.303 nan 8.270 nan 0.000 0.511 442 G N 1.164 109.459 108.800 -0.842 0.000 2.143 442 G HA2 -0.284 3.672 3.960 -0.005 0.000 0.249 442 G HA3 -0.284 3.672 3.960 -0.005 0.000 0.249 442 G C 0.013 174.467 174.900 -0.743 0.000 0.981 442 G CA 0.224 44.480 45.100 -1.406 0.000 0.665 442 G HN 0.613 nan 8.290 nan 0.000 0.528 443 H N 0.344 119.215 119.070 -0.331 0.000 2.605 443 H HA 0.397 4.949 4.556 -0.005 0.000 0.308 443 H C 0.381 175.641 175.328 -0.112 0.000 1.080 443 H CA -0.123 55.818 56.048 -0.179 0.000 1.119 443 H CB 0.458 30.153 29.762 -0.112 0.000 1.479 443 H HN 0.307 nan 8.280 nan 0.000 0.537 444 E N 0.316 120.502 120.200 -0.024 0.000 2.392 444 E HA 0.039 4.386 4.350 -0.005 0.000 0.269 444 E C 0.580 177.185 176.600 0.008 0.000 0.924 444 E CA -0.444 55.978 56.400 0.036 0.000 0.784 444 E CB 1.390 31.140 29.700 0.082 0.000 1.292 444 E HN 0.531 nan 8.360 nan 0.000 0.447 445 E N 0.067 120.299 120.200 0.053 0.000 2.418 445 E HA -0.028 4.319 4.350 -0.005 0.000 0.197 445 E C 0.893 177.434 176.600 -0.099 0.000 1.026 445 E CA 0.658 57.076 56.400 0.030 0.000 0.862 445 E CB -0.493 29.279 29.700 0.120 0.000 0.799 445 E HN 0.380 nan 8.360 nan 0.000 0.518 446 I N -0.488 120.005 120.570 -0.128 0.000 2.339 446 I HA 0.504 4.671 4.170 -0.005 0.000 0.290 446 I C -0.268 175.696 176.117 -0.254 0.000 0.994 446 I CA -1.180 59.892 61.300 -0.381 0.000 1.191 446 I CB 1.236 39.073 38.000 -0.273 0.000 1.343 446 I HN -0.197 nan 8.210 nan 0.000 0.458 447 R N 4.704 124.855 120.500 -0.582 0.000 2.902 447 R HA 0.626 4.963 4.340 -0.005 0.000 0.258 447 R C -1.090 174.917 176.300 -0.488 0.000 1.071 447 R CA -0.835 54.988 56.100 -0.461 0.000 1.024 447 R CB 2.023 32.133 30.300 -0.316 0.000 1.184 447 R HN 0.865 nan 8.270 nan 0.000 0.492 448 Q N 1.296 120.964 119.800 -0.220 0.000 2.353 448 Q HA 0.516 4.852 4.340 -0.005 0.000 0.275 448 Q C -1.603 174.364 176.000 -0.054 0.000 1.029 448 Q CA -0.680 55.033 55.803 -0.149 0.000 0.848 448 Q CB 2.123 30.800 28.738 -0.102 0.000 1.390 448 Q HN 0.680 nan 8.270 nan 0.000 0.401 449 I N 0.532 121.027 120.570 -0.125 0.000 2.499 449 I HA 0.845 5.012 4.170 -0.005 0.000 0.288 449 I C -0.795 175.053 176.117 -0.449 0.000 1.048 449 I CA -0.539 60.604 61.300 -0.263 0.000 1.062 449 I CB 2.064 39.794 38.000 -0.449 0.000 1.238 449 I HN 0.752 nan 8.210 nan 0.000 0.426 450 S N 4.108 119.798 115.700 -0.017 0.000 2.661 450 S HA 0.713 5.180 4.470 -0.005 0.000 0.268 450 S C -1.149 173.793 174.600 0.569 0.000 1.162 450 S CA -0.917 57.431 58.200 0.248 0.000 0.817 450 S CB 2.194 65.541 63.200 0.246 0.000 1.141 450 S HN 0.919 nan 8.310 nan 0.000 0.477 451 K N 1.047 121.741 120.400 0.489 0.000 2.707 451 K HA 0.535 4.852 4.320 -0.005 0.000 0.283 451 K C -0.154 176.593 176.600 0.246 0.000 1.105 451 K CA 0.221 56.721 56.287 0.355 0.000 1.018 451 K CB 0.608 33.254 32.500 0.242 0.000 1.315 451 K HN 0.957 nan 8.250 nan 0.000 0.495 452 S N 1.524 117.353 115.700 0.214 0.000 3.736 452 S HA -0.277 4.190 4.470 -0.005 0.000 0.627 452 S C 0.588 175.267 174.600 0.132 0.000 2.426 452 S CA 1.476 59.728 58.200 0.087 0.000 4.022 452 S CB -0.976 62.176 63.200 -0.079 0.000 0.237 452 S HN 1.000 nan 8.310 nan 0.000 0.967 453 D N 1.965 122.325 120.400 -0.066 0.000 2.403 453 D HA 0.051 4.688 4.640 -0.005 0.000 0.227 453 D C 0.085 176.534 176.300 0.248 0.000 0.995 453 D CA 0.835 54.900 54.000 0.109 0.000 0.928 453 D CB -0.634 40.182 40.800 0.027 0.000 0.887 453 D HN 0.453 nan 8.370 nan 0.000 0.529 454 D N -0.058 120.492 120.400 0.250 0.000 2.308 454 D HA 0.603 5.240 4.640 -0.005 0.000 0.242 454 D C -1.018 175.503 176.300 0.370 0.000 1.059 454 D CA -0.610 53.563 54.000 0.288 0.000 0.830 454 D CB 1.490 42.421 40.800 0.218 0.000 1.161 454 D HN 0.188 nan 8.370 nan 0.000 0.494 455 A N 3.221 126.130 122.820 0.148 0.000 2.586 455 A HA 0.714 5.030 4.320 -0.005 0.000 0.290 455 A C -1.476 175.883 177.584 -0.376 0.000 1.086 455 A CA -0.752 51.132 52.037 -0.255 0.000 0.665 455 A CB 1.294 20.018 19.000 -0.459 0.000 1.279 455 A HN 0.494 nan 8.150 nan 0.000 0.423 456 M N 1.453 120.747 119.600 -0.510 0.000 2.327 456 M HA 0.448 4.925 4.480 -0.005 0.000 0.298 456 M C -1.431 174.788 176.300 -0.135 0.000 1.065 456 M CA -0.215 54.958 55.300 -0.211 0.000 0.916 456 M CB 1.857 34.374 32.600 -0.137 0.000 1.630 456 M HN 0.567 nan 8.290 nan 0.000 0.442 457 L N 2.018 123.141 121.223 -0.166 0.000 2.309 457 L HA 0.841 5.178 4.340 -0.005 0.000 0.282 457 L C 0.409 176.819 176.870 -0.768 0.000 1.036 457 L CA -0.646 53.925 54.840 -0.449 0.000 0.806 457 L CB 1.660 43.534 42.059 -0.309 0.000 1.220 457 L HN 0.820 nan 8.230 nan 0.000 0.429 458 G N 1.857 109.699 108.800 -1.597 0.000 2.498 458 G HA2 0.627 4.584 3.960 -0.005 0.000 0.312 458 G HA3 0.627 4.584 3.960 -0.005 0.000 0.312 458 G C -1.921 172.081 174.900 -1.497 0.000 1.230 458 G CA -0.343 43.558 45.100 -1.999 0.000 0.968 458 G HN 0.483 nan 8.290 nan 0.000 0.481 459 W N 0.930 121.854 121.300 -0.627 0.000 3.129 459 W HA 0.429 5.086 4.660 -0.006 0.000 0.333 459 W C 0.148 176.569 176.519 -0.163 0.000 1.141 459 W CA -0.581 56.586 57.345 -0.298 0.000 1.224 459 W CB 2.373 31.722 29.460 -0.186 0.000 1.393 459 W HN 0.830 nan 8.180 nan 0.000 0.499 460 T N -0.584 114.026 114.554 0.093 0.000 2.889 460 T HA 0.466 4.812 4.350 -0.005 0.000 0.278 460 T C 0.187 174.983 174.700 0.160 0.000 0.995 460 T CA -0.878 61.302 62.100 0.133 0.000 0.966 460 T CB 1.742 70.669 68.868 0.098 0.000 1.237 460 T HN 0.065 nan 8.240 nan 0.000 0.591 461 K N 0.706 121.187 120.400 0.135 0.000 2.382 461 K HA 0.579 4.896 4.320 -0.005 0.000 0.275 461 K C 0.543 177.210 176.600 0.111 0.000 1.009 461 K CA 0.312 56.670 56.287 0.119 0.000 0.970 461 K CB 0.585 33.141 32.500 0.093 0.000 0.934 461 K HN 1.067 nan 8.250 nan 0.000 0.479 462 G N 1.164 110.028 108.800 0.107 0.000 2.327 462 G HA2 0.021 3.977 3.960 -0.005 0.000 0.291 462 G HA3 0.021 3.977 3.960 -0.005 0.000 0.291 462 G C 0.142 175.092 174.900 0.083 0.000 1.290 462 G CA -0.823 44.332 45.100 0.092 0.000 0.857 462 G HN 0.473 nan 8.290 nan 0.000 0.520 463 R N -0.247 120.269 120.500 0.028 0.000 2.090 463 R HA 0.098 4.435 4.340 -0.005 0.000 0.228 463 R C 2.937 179.343 176.300 0.176 0.000 1.110 463 R CA 1.675 57.771 56.100 -0.007 0.000 0.973 463 R CB -0.303 29.795 30.300 -0.336 0.000 0.869 463 R HN 0.566 nan 8.270 nan 0.000 0.440 464 A N 1.375 124.409 122.820 0.356 0.000 1.972 464 A HA -0.158 4.158 4.320 -0.005 0.000 0.219 464 A C 2.012 179.750 177.584 0.256 0.000 1.169 464 A CA 0.933 53.211 52.037 0.400 0.000 0.635 464 A CB -0.429 18.859 19.000 0.479 0.000 0.810 464 A HN 0.209 nan 8.150 nan 0.000 0.446 465 L N -0.118 121.240 121.223 0.225 0.000 2.051 465 L HA -0.166 4.171 4.340 -0.005 0.000 0.214 465 L C 2.450 179.328 176.870 0.014 0.000 1.076 465 L CA 2.300 57.193 54.840 0.088 0.000 0.758 465 L CB -0.838 41.312 42.059 0.151 0.000 0.890 465 L HN 0.235 nan 8.230 nan 0.000 0.433 466 V N -0.356 119.601 119.914 0.072 0.000 2.427 466 V HA -0.133 3.984 4.120 -0.005 0.000 0.248 466 V C 2.408 178.513 176.094 0.017 0.000 1.051 466 V CA 1.826 64.169 62.300 0.072 0.000 1.048 466 V CB -0.725 31.125 31.823 0.046 0.000 0.666 466 V HN 0.596 nan 8.190 nan 0.000 0.456 467 G N -0.459 108.343 108.800 0.002 0.000 2.418 467 G HA2 -0.160 3.797 3.960 -0.005 0.000 0.217 467 G HA3 -0.160 3.797 3.960 -0.005 0.000 0.217 467 G C 1.618 176.408 174.900 -0.184 0.000 1.158 467 G CA 0.849 45.944 45.100 -0.008 0.000 0.771 467 G HN 0.690 nan 8.290 nan 0.000 0.545 468 G N 0.220 108.711 108.800 -0.515 0.000 2.529 468 G HA2 -0.322 3.635 3.960 -0.005 0.000 0.219 468 G HA3 -0.322 3.635 3.960 -0.005 0.000 0.219 468 G C 1.637 176.046 174.900 -0.818 0.000 1.177 468 G CA 1.243 45.539 45.100 -1.339 0.000 0.773 468 G HN 0.528 nan 8.290 nan 0.000 0.573 469 H N 0.172 118.998 119.070 -0.408 0.000 2.421 469 H HA 0.017 4.569 4.556 -0.005 0.000 0.298 469 H C 2.836 178.097 175.328 -0.111 0.000 1.087 469 H CA 1.243 57.175 56.048 -0.194 0.000 1.330 469 H CB 0.010 29.683 29.762 -0.149 0.000 1.388 469 H HN 0.308 nan 8.280 nan 0.000 0.526 470 R N 0.113 120.611 120.500 -0.002 0.000 2.075 470 R HA -0.114 4.223 4.340 -0.005 0.000 0.232 470 R C 2.375 178.668 176.300 -0.012 0.000 1.126 470 R CA 0.768 56.871 56.100 0.006 0.000 0.963 470 R CB -0.322 29.987 30.300 0.015 0.000 0.858 470 R HN 0.119 nan 8.270 nan 0.000 0.435 471 L N 0.470 121.654 121.223 -0.066 0.000 2.012 471 L HA -0.197 4.140 4.340 -0.005 0.000 0.210 471 L C 2.037 178.936 176.870 0.049 0.000 1.073 471 L CA 1.707 56.505 54.840 -0.070 0.000 0.748 471 L CB -0.871 41.143 42.059 -0.076 0.000 0.891 471 L HN 0.075 nan 8.230 nan 0.000 0.431 472 F N 0.785 120.627 119.950 -0.181 0.000 2.120 472 F HA -0.243 4.281 4.527 -0.006 0.000 0.300 472 F C 2.538 178.340 175.800 0.004 0.000 1.095 472 F CA 1.954 59.903 58.000 -0.085 0.000 1.249 472 F CB -0.690 38.226 39.000 -0.140 0.000 0.995 472 F HN 0.299 nan 8.300 nan 0.000 0.480 473 E N 0.108 120.380 120.200 0.121 0.000 2.077 473 E HA -0.251 4.096 4.350 -0.005 0.000 0.193 473 E C 2.457 179.056 176.600 -0.002 0.000 0.989 473 E CA 1.589 58.007 56.400 0.029 0.000 0.800 473 E CB -0.504 29.212 29.700 0.025 0.000 0.746 473 E HN 0.467 nan 8.360 nan 0.000 0.452 474 M N -0.272 119.337 119.600 0.014 0.000 2.082 474 M HA -0.229 4.248 4.480 -0.005 0.000 0.258 474 M C 2.008 178.329 176.300 0.034 0.000 1.071 474 M CA 1.699 56.999 55.300 -0.001 0.000 1.103 474 M CB -0.245 32.321 32.600 -0.056 0.000 1.307 474 M HN 0.201 nan 8.290 nan 0.000 0.409 475 L N -0.047 121.233 121.223 0.095 0.000 2.089 475 L HA -0.306 4.031 4.340 -0.005 0.000 0.213 475 L C 2.573 179.533 176.870 0.150 0.000 1.079 475 L CA 1.720 56.677 54.840 0.195 0.000 0.758 475 L CB -0.911 41.346 42.059 0.331 0.000 0.891 475 L HN 0.409 nan 8.230 nan 0.000 0.433 476 K N 0.545 120.888 120.400 -0.095 0.000 2.002 476 K HA -0.215 4.102 4.320 -0.005 0.000 0.209 476 K C 1.987 178.529 176.600 -0.096 0.000 1.048 476 K CA 1.705 57.799 56.287 -0.322 0.000 0.930 476 K CB -0.042 32.071 32.500 -0.645 0.000 0.714 476 K HN 0.292 nan 8.250 nan 0.000 0.438 477 E N -0.615 119.541 120.200 -0.074 0.000 2.209 477 E HA -0.116 4.230 4.350 -0.005 0.000 0.196 477 E C 0.768 177.382 176.600 0.024 0.000 0.993 477 E CA 0.676 57.059 56.400 -0.030 0.000 0.819 477 E CB -0.202 29.483 29.700 -0.024 0.000 0.745 477 E HN 0.628 nan 8.360 nan 0.000 0.477 478 G N 1.271 110.109 108.800 0.064 0.000 2.390 478 G HA2 -0.358 3.599 3.960 -0.005 0.000 0.299 478 G HA3 -0.358 3.599 3.960 -0.005 0.000 0.299 478 G C 0.565 175.499 174.900 0.056 0.000 1.002 478 G CA 1.154 46.308 45.100 0.090 0.000 0.979 478 G HN 0.278 nan 8.290 nan 0.000 0.513 479 K N -1.663 118.761 120.400 0.040 0.000 2.367 479 K HA 0.369 4.686 4.320 -0.005 0.000 0.195 479 K C 0.556 177.177 176.600 0.035 0.000 1.060 479 K CA 0.309 56.615 56.287 0.032 0.000 1.022 479 K CB 1.148 33.661 32.500 0.021 0.000 0.894 479 K HN 0.264 nan 8.250 nan 0.000 0.540 480 V N 1.918 121.855 119.914 0.039 0.000 2.638 480 V HA 0.145 4.262 4.120 -0.005 0.000 0.306 480 V C -1.103 175.021 176.094 0.049 0.000 1.052 480 V CA -1.257 61.068 62.300 0.041 0.000 0.885 480 V CB 1.714 33.561 31.823 0.041 0.000 0.999 480 V HN 0.158 nan 8.190 nan 0.000 0.424 481 N N 6.625 125.356 118.700 0.051 0.000 2.430 481 N HA 0.318 5.055 4.740 -0.005 0.000 0.265 481 N C -1.105 174.454 175.510 0.082 0.000 1.100 481 N CA -1.512 51.574 53.050 0.059 0.000 0.961 481 N CB 1.471 39.980 38.487 0.037 0.000 1.075 481 N HN 0.392 nan 8.380 nan 0.000 0.478 482 P HA 0.009 nan 4.420 nan 0.000 0.241 482 P C -0.361 177.108 177.300 0.281 0.000 1.191 482 P CA 0.315 63.527 63.100 0.186 0.000 0.771 482 P CB 0.424 32.136 31.700 0.019 0.000 0.929 483 S N 0.841 116.640 115.700 0.164 0.000 2.536 483 S HA 0.523 4.990 4.470 -0.005 0.000 0.298 483 S C -2.244 172.365 174.600 0.015 0.000 1.083 483 S CA -1.846 56.437 58.200 0.138 0.000 0.995 483 S CB 1.792 65.106 63.200 0.189 0.000 1.058 483 S HN -0.129 nan 8.310 nan 0.000 0.488 484 P HA 0.196 nan 4.420 nan 0.000 0.261 484 P C -0.126 176.966 177.300 -0.346 0.000 1.268 484 P CA 0.229 63.144 63.100 -0.309 0.000 0.833 484 P CB 0.042 31.438 31.700 -0.507 0.000 1.231 485 Y N -1.066 119.294 120.300 0.100 0.000 2.559 485 Y HA 0.330 4.877 4.550 -0.006 0.000 0.279 485 Y C 1.586 177.495 175.900 0.016 0.000 1.117 485 Y CA 0.466 58.639 58.100 0.122 0.000 1.263 485 Y CB 0.187 38.767 38.460 0.201 0.000 1.230 485 Y HN -0.180 nan 8.280 nan 0.000 0.528 486 M N -0.603 119.068 119.600 0.118 0.000 2.716 486 M HA 0.299 4.776 4.480 -0.005 0.000 0.278 486 M C -1.040 175.196 176.300 -0.106 0.000 1.281 486 M CA -0.871 54.389 55.300 -0.067 0.000 0.814 486 M CB 1.834 34.434 32.600 0.001 0.000 1.719 486 M HN -0.240 nan 8.290 nan 0.000 0.457 487 K N 2.026 122.291 120.400 -0.226 0.000 2.250 487 K HA 0.485 4.802 4.320 -0.005 0.000 0.280 487 K C -0.881 175.725 176.600 0.010 0.000 1.098 487 K CA -0.282 55.932 56.287 -0.121 0.000 0.916 487 K CB 0.401 32.784 32.500 -0.195 0.000 1.209 487 K HN 0.372 nan 8.250 nan 0.000 0.461 488 I N 1.601 122.217 120.570 0.075 0.000 2.460 488 I HA 0.303 4.470 4.170 -0.005 0.000 0.298 488 I C 0.759 176.968 176.117 0.154 0.000 0.989 488 I CA -0.448 60.942 61.300 0.150 0.000 1.173 488 I CB 1.197 39.326 38.000 0.215 0.000 1.338 488 I HN 0.580 nan 8.210 nan 0.000 0.456 489 S N 4.859 120.665 115.700 0.176 0.000 2.880 489 S HA 0.671 5.138 4.470 -0.005 0.000 0.308 489 S C -1.100 173.652 174.600 0.253 0.000 1.195 489 S CA -0.672 57.645 58.200 0.196 0.000 0.866 489 S CB 1.536 64.806 63.200 0.118 0.000 1.254 489 S HN 0.521 nan 8.310 nan 0.000 0.571 490 Y N 0.423 120.834 120.300 0.184 0.000 2.419 490 Y HA 0.727 5.274 4.550 -0.005 0.000 0.328 490 Y C -0.051 175.973 175.900 0.208 0.000 1.162 490 Y CA -0.957 57.272 58.100 0.213 0.000 1.174 490 Y CB 0.677 39.322 38.460 0.308 0.000 1.228 490 Y HN 0.839 nan 8.280 nan 0.000 0.473 491 E N 1.917 122.180 120.200 0.105 0.000 2.257 491 E HA 0.021 4.367 4.350 -0.005 0.000 0.278 491 E C -1.302 175.296 176.600 -0.003 0.000 1.049 491 E CA -0.470 55.940 56.400 0.017 0.000 0.876 491 E CB 0.197 29.976 29.700 0.130 0.000 1.035 491 E HN 0.805 nan 8.360 nan 0.000 0.419 492 H N 3.442 122.367 119.070 -0.242 0.000 2.934 492 H HA 0.302 4.855 4.556 -0.005 0.000 0.273 492 H C 0.169 175.559 175.328 0.102 0.000 1.121 492 H CA 1.049 57.074 56.048 -0.038 0.000 1.451 492 H CB 0.287 29.983 29.762 -0.110 0.000 1.469 492 H HN 0.724 nan 8.280 nan 0.000 0.476 493 G N 3.781 112.522 108.800 -0.097 0.000 2.742 493 G HA2 -0.140 3.817 3.960 -0.005 0.000 0.257 493 G HA3 -0.140 3.817 3.960 -0.005 0.000 0.257 493 G C 0.461 175.424 174.900 0.105 0.000 1.143 493 G CA -0.252 44.838 45.100 -0.018 0.000 1.064 493 G HN 0.988 nan 8.290 nan 0.000 0.529 494 G N -0.391 108.521 108.800 0.186 0.000 2.432 494 G HA2 0.792 4.748 3.960 -0.005 0.000 0.239 494 G HA3 0.792 4.748 3.960 -0.005 0.000 0.239 494 G C 0.375 175.404 174.900 0.214 0.000 1.291 494 G CA 0.688 45.917 45.100 0.216 0.000 0.863 494 G HN 1.980 nan 8.290 nan 0.000 0.560 495 A N 1.029 123.976 122.820 0.211 0.000 2.610 495 A HA 0.723 5.040 4.320 -0.005 0.000 0.291 495 A C -1.820 175.921 177.584 0.262 0.000 1.086 495 A CA -0.636 51.542 52.037 0.235 0.000 0.677 495 A CB 1.683 20.777 19.000 0.156 0.000 1.278 495 A HN 1.224 nan 8.150 nan 0.000 0.414 496 F N 1.633 121.571 119.950 -0.020 0.000 2.539 496 F HA 0.600 5.123 4.527 -0.006 0.000 0.318 496 F C -0.028 175.613 175.800 -0.266 0.000 1.135 496 F CA -1.047 56.857 58.000 -0.160 0.000 0.915 496 F CB 1.416 40.279 39.000 -0.227 0.000 1.176 496 F HN 0.496 nan 8.300 nan 0.000 0.440 497 L N 5.988 126.783 121.223 -0.713 0.000 3.634 497 L HA -0.141 4.195 4.340 -0.005 0.000 0.423 497 L C 1.146 177.788 176.870 -0.380 0.000 1.253 497 L CA 1.519 55.946 54.840 -0.688 0.000 0.885 497 L CB -1.625 39.801 42.059 -1.054 0.000 1.789 497 L HN 1.296 nan 8.230 nan 0.000 0.904 498 G N -2.379 106.291 108.800 -0.216 0.000 2.336 498 G HA2 -0.258 3.698 3.960 -0.005 0.000 0.233 498 G HA3 -0.258 3.698 3.960 -0.005 0.000 0.233 498 G C 0.288 175.122 174.900 -0.110 0.000 1.053 498 G CA 0.237 45.255 45.100 -0.136 0.000 0.625 498 G HN 0.471 nan 8.290 nan 0.000 0.511 499 D N 0.915 121.209 120.400 -0.178 0.000 2.264 499 D HA 0.552 5.188 4.640 -0.005 0.000 0.249 499 D C 0.699 177.059 176.300 0.100 0.000 1.070 499 D CA -0.175 53.775 54.000 -0.084 0.000 0.912 499 D CB 1.303 41.990 40.800 -0.188 0.000 1.193 499 D HN 0.314 nan 8.370 nan 0.000 0.427 500 I N 1.744 122.421 120.570 0.178 0.000 2.396 500 I HA 0.055 4.222 4.170 -0.005 0.000 0.292 500 I C -0.047 176.231 176.117 0.268 0.000 0.999 500 I CA -0.872 60.556 61.300 0.213 0.000 1.310 500 I CB 1.389 39.464 38.000 0.125 0.000 1.404 500 I HN 0.037 nan 8.210 nan 0.000 0.496 501 L N 7.947 129.278 121.223 0.180 0.000 2.282 501 L HA 0.278 4.614 4.340 -0.005 0.000 0.287 501 L C -0.608 176.153 176.870 -0.181 0.000 1.075 501 L CA -0.319 54.405 54.840 -0.193 0.000 0.839 501 L CB 0.568 42.475 42.059 -0.253 0.000 1.219 501 L HN 0.379 nan 8.230 nan 0.000 0.434 502 L N 6.407 127.513 121.223 -0.197 0.000 2.312 502 L HA 0.355 4.692 4.340 -0.005 0.000 0.287 502 L C -0.698 176.116 176.870 -0.093 0.000 1.091 502 L CA 0.161 54.965 54.840 -0.060 0.000 0.846 502 L CB -0.189 41.857 42.059 -0.021 0.000 1.219 502 L HN 0.445 nan 8.230 nan 0.000 0.439 503 Y N 2.847 123.176 120.300 0.048 0.000 2.295 503 Y HA 0.334 4.880 4.550 -0.006 0.000 0.331 503 Y C 0.764 176.717 175.900 0.088 0.000 1.311 503 Y CA -0.219 57.914 58.100 0.055 0.000 1.430 503 Y CB 0.686 39.199 38.460 0.089 0.000 1.339 503 Y HN 0.683 nan 8.280 nan 0.000 0.552 504 D N -1.803 118.747 120.400 0.250 0.000 2.621 504 D HA 0.129 4.766 4.640 -0.005 0.000 0.255 504 D C 0.782 177.153 176.300 0.118 0.000 1.122 504 D CA -0.151 53.944 54.000 0.157 0.000 1.096 504 D CB 0.725 41.584 40.800 0.098 0.000 1.282 504 D HN 0.482 nan 8.370 nan 0.000 0.619 505 S N -0.527 115.212 115.700 0.064 0.000 2.419 505 S HA -0.207 4.259 4.470 -0.005 0.000 0.235 505 S C 1.582 176.187 174.600 0.008 0.000 1.019 505 S CA 0.558 58.764 58.200 0.010 0.000 0.982 505 S CB -0.394 62.806 63.200 0.001 0.000 0.789 505 S HN 0.406 nan 8.310 nan 0.000 0.490 506 R N 0.926 121.450 120.500 0.040 0.000 2.092 506 R HA 0.123 4.460 4.340 -0.005 0.000 0.231 506 R C 0.325 176.649 176.300 0.040 0.000 1.119 506 R CA 0.511 56.634 56.100 0.038 0.000 0.970 506 R CB -0.591 29.744 30.300 0.057 0.000 0.864 506 R HN 0.377 nan 8.270 nan 0.000 0.440 507 R N 1.261 121.814 120.500 0.089 0.000 3.261 507 R HA -0.139 4.197 4.340 -0.005 0.000 0.257 507 R C -1.027 175.322 176.300 0.082 0.000 1.014 507 R CA 0.741 56.862 56.100 0.034 0.000 0.681 507 R CB -1.946 28.284 30.300 -0.118 0.000 1.155 507 R HN 0.521 nan 8.270 nan 0.000 0.424 508 E N -0.967 119.413 120.200 0.299 0.000 2.331 508 E HA 0.236 4.583 4.350 -0.005 0.000 0.275 508 E C -2.105 174.698 176.600 0.338 0.000 0.895 508 E CA -2.157 54.413 56.400 0.284 0.000 0.753 508 E CB 1.865 31.661 29.700 0.161 0.000 1.216 508 E HN -0.242 nan 8.360 nan 0.000 0.434 509 P HA -0.256 nan 4.420 nan 0.000 0.217 509 P C 1.386 178.685 177.300 -0.002 0.000 1.151 509 P CA 1.830 64.994 63.100 0.106 0.000 0.849 509 P CB 0.089 31.897 31.700 0.181 0.000 0.787 510 G N -0.166 108.674 108.800 0.066 0.000 2.574 510 G HA2 -0.289 3.668 3.960 -0.005 0.000 0.220 510 G HA3 -0.289 3.668 3.960 -0.005 0.000 0.220 510 G C 1.058 175.952 174.900 -0.010 0.000 1.173 510 G CA 1.542 46.660 45.100 0.029 0.000 0.772 510 G HN 0.461 nan 8.290 nan 0.000 0.585 511 S N -0.304 115.400 115.700 0.007 0.000 2.526 511 S HA 0.759 5.225 4.470 -0.005 0.000 0.245 511 S C 0.223 174.790 174.600 -0.056 0.000 1.103 511 S CA -0.010 58.183 58.200 -0.012 0.000 1.095 511 S CB 0.829 64.045 63.200 0.027 0.000 0.826 511 S HN 0.665 nan 8.310 nan 0.000 0.468 512 A N 1.722 124.442 122.820 -0.166 0.000 2.311 512 A HA 0.919 5.236 4.320 -0.005 0.000 0.334 512 A C -0.342 177.025 177.584 -0.361 0.000 1.139 512 A CA -1.085 50.749 52.037 -0.337 0.000 0.830 512 A CB 0.667 19.237 19.000 -0.717 0.000 1.234 512 A HN 0.812 nan 8.150 nan 0.000 0.483 513 I N -2.476 117.869 120.570 -0.374 0.000 2.686 513 I HA 0.627 4.794 4.170 -0.005 0.000 0.295 513 I C -1.054 174.849 176.117 -0.357 0.000 1.114 513 I CA -0.610 60.498 61.300 -0.319 0.000 1.038 513 I CB 1.757 39.671 38.000 -0.144 0.000 1.238 513 I HN 0.481 nan 8.210 nan 0.000 0.420 514 F N 4.423 124.300 119.950 -0.123 0.000 2.412 514 F HA 0.647 5.171 4.527 -0.006 0.000 0.348 514 F C 0.432 176.178 175.800 -0.090 0.000 1.102 514 F CA -0.317 57.619 58.000 -0.106 0.000 1.196 514 F CB 1.662 40.598 39.000 -0.106 0.000 1.144 514 F HN 0.442 nan 8.300 nan 0.000 0.541 515 V N 0.473 120.479 119.914 0.153 0.000 3.114 515 V HA 0.802 4.919 4.120 -0.005 0.000 0.308 515 V C 0.014 176.126 176.094 0.030 0.000 1.168 515 V CA -1.208 61.122 62.300 0.050 0.000 1.015 515 V CB 0.872 32.716 31.823 0.035 0.000 1.050 515 V HN 0.879 nan 8.190 nan 0.000 0.433 516 G N 0.745 109.522 108.800 -0.038 0.000 2.630 516 G HA2 0.175 4.132 3.960 -0.005 0.000 0.236 516 G HA3 0.175 4.132 3.960 -0.005 0.000 0.236 516 G C 0.033 174.986 174.900 0.088 0.000 1.248 516 G CA -0.089 44.966 45.100 -0.075 0.000 0.844 516 G HN 0.979 nan 8.290 nan 0.000 0.588 517 N N 1.125 119.905 118.700 0.133 0.000 2.767 517 N HA 0.039 4.776 4.740 -0.005 0.000 0.238 517 N C 1.456 177.146 175.510 0.300 0.000 1.083 517 N CA -0.733 52.427 53.050 0.183 0.000 0.964 517 N CB 0.497 39.062 38.487 0.130 0.000 1.252 517 N HN 0.280 nan 8.380 nan 0.000 0.512 518 I N 3.339 124.071 120.570 0.269 0.000 2.147 518 I HA -0.389 3.778 4.170 -0.005 0.000 0.245 518 I C 1.720 177.956 176.117 0.198 0.000 1.059 518 I CA 1.485 62.920 61.300 0.226 0.000 1.320 518 I CB -0.297 37.822 38.000 0.197 0.000 1.021 518 I HN 0.542 nan 8.210 nan 0.000 0.415 519 N N -0.070 118.747 118.700 0.194 0.000 2.192 519 N HA -0.157 4.580 4.740 -0.005 0.000 0.188 519 N C 1.927 177.525 175.510 0.148 0.000 1.013 519 N CA 1.688 54.833 53.050 0.159 0.000 0.863 519 N CB -0.273 38.200 38.487 -0.022 0.000 0.990 519 N HN 0.400 nan 8.380 nan 0.000 0.430 520 S N 1.010 116.808 115.700 0.164 0.000 2.423 520 S HA -0.024 4.442 4.470 -0.005 0.000 0.231 520 S C 1.872 176.544 174.600 0.119 0.000 1.014 520 S CA 0.484 58.792 58.200 0.180 0.000 0.965 520 S CB 0.002 63.356 63.200 0.256 0.000 0.785 520 S HN 0.361 nan 8.310 nan 0.000 0.495 521 M N 1.023 120.551 119.600 -0.121 0.000 2.099 521 M HA -0.073 4.404 4.480 -0.005 0.000 0.262 521 M C 1.653 177.856 176.300 -0.163 0.000 1.067 521 M CA 1.514 56.500 55.300 -0.523 0.000 1.124 521 M CB -0.232 31.657 32.600 -1.184 0.000 1.353 521 M HN 0.260 nan 8.290 nan 0.000 0.410 522 L N 0.169 121.394 121.223 0.003 0.000 2.027 522 L HA -0.228 4.109 4.340 -0.005 0.000 0.206 522 L C 2.196 179.179 176.870 0.188 0.000 1.074 522 L CA 0.990 55.936 54.840 0.176 0.000 0.745 522 L CB -1.145 41.108 42.059 0.323 0.000 0.898 522 L HN 0.322 nan 8.230 nan 0.000 0.433 523 N N 0.592 119.393 118.700 0.169 0.000 2.018 523 N HA -0.210 4.527 4.740 -0.005 0.000 0.196 523 N C 1.578 177.159 175.510 0.119 0.000 1.043 523 N CA 1.640 54.788 53.050 0.164 0.000 0.856 523 N CB -0.649 37.916 38.487 0.130 0.000 1.042 523 N HN 0.357 nan 8.380 nan 0.000 0.423 524 N N 0.495 119.242 118.700 0.078 0.000 2.094 524 N HA -0.184 4.553 4.740 -0.005 0.000 0.191 524 N C 1.544 177.061 175.510 0.012 0.000 1.023 524 N CA 1.038 54.123 53.050 0.059 0.000 0.857 524 N CB -0.109 38.428 38.487 0.085 0.000 1.013 524 N HN 0.458 nan 8.380 nan 0.000 0.426 525 Q N -0.834 118.899 119.800 -0.112 0.000 2.245 525 Q HA 0.006 4.343 4.340 -0.005 0.000 0.201 525 Q C 0.765 176.550 176.000 -0.359 0.000 0.955 525 Q CA 0.904 56.531 55.803 -0.294 0.000 0.870 525 Q CB 0.270 28.614 28.738 -0.655 0.000 0.945 525 Q HN 0.436 nan 8.270 nan 0.000 0.461 526 F N -1.892 118.299 119.950 0.401 0.000 2.728 526 F HA 0.254 4.778 4.527 -0.006 0.000 0.314 526 F C 0.676 176.727 175.800 0.418 0.000 1.094 526 F CA -0.297 58.030 58.000 0.544 0.000 1.217 526 F CB 1.250 40.586 39.000 0.561 0.000 1.056 526 F HN -0.312 nan 8.300 nan 0.000 0.577 527 S N 1.988 117.903 115.700 0.358 0.000 2.204 527 S HA 0.248 4.715 4.470 -0.005 0.000 0.178 527 S C -2.540 172.148 174.600 0.147 0.000 1.493 527 S CA -1.090 57.271 58.200 0.268 0.000 1.266 527 S CB 0.337 63.684 63.200 0.246 0.000 1.232 527 S HN -0.134 nan 8.310 nan 0.000 0.406 528 P HA 0.162 nan 4.420 nan 0.000 0.274 528 P C 0.595 177.908 177.300 0.020 0.000 1.231 528 P CA -0.177 62.950 63.100 0.044 0.000 0.790 528 P CB 0.966 32.653 31.700 -0.021 0.000 0.951 529 E N 0.732 120.929 120.200 -0.004 0.000 2.285 529 E HA -0.071 4.276 4.350 -0.005 0.000 0.194 529 E C -0.370 176.014 176.600 -0.359 0.000 0.997 529 E CA 0.875 57.170 56.400 -0.175 0.000 0.845 529 E CB 0.116 29.704 29.700 -0.186 0.000 0.782 529 E HN 0.484 nan 8.360 nan 0.000 0.491 530 Y N -1.555 118.729 120.300 -0.025 0.000 2.524 530 Y HA 0.455 5.002 4.550 -0.005 0.000 0.347 530 Y C 0.747 176.615 175.900 -0.054 0.000 1.005 530 Y CA -0.665 57.413 58.100 -0.038 0.000 1.025 530 Y CB 1.628 40.065 38.460 -0.040 0.000 1.275 530 Y HN -0.151 nan 8.280 nan 0.000 0.460 531 G N 0.149 109.022 108.800 0.121 0.000 2.570 531 G HA2 0.329 4.286 3.960 -0.005 0.000 0.276 531 G HA3 0.329 4.286 3.960 -0.005 0.000 0.276 531 G C 0.690 175.601 174.900 0.019 0.000 1.346 531 G CA -0.038 45.084 45.100 0.036 0.000 1.034 531 G HN 0.795 nan 8.290 nan 0.000 0.512 532 V N -3.430 116.476 119.914 -0.013 0.000 3.649 532 V HA 0.210 4.327 4.120 -0.005 0.000 0.275 532 V C 0.666 176.731 176.094 -0.049 0.000 1.281 532 V CA 0.639 62.919 62.300 -0.033 0.000 1.143 532 V CB -1.367 30.447 31.823 -0.015 0.000 0.892 532 V HN 0.737 nan 8.190 nan 0.000 0.441 533 Q N 1.701 121.483 119.800 -0.029 0.000 2.437 533 Q HA -0.230 4.107 4.340 -0.005 0.000 0.354 533 Q C 1.444 177.417 176.000 -0.046 0.000 1.402 533 Q CA 0.629 56.410 55.803 -0.036 0.000 1.020 533 Q CB -1.679 27.026 28.738 -0.055 0.000 1.220 533 Q HN 1.002 nan 8.270 nan 0.000 0.368 534 S N -1.827 113.855 115.700 -0.029 0.000 2.447 534 S HA -0.076 4.391 4.470 -0.005 0.000 0.233 534 S C 1.752 176.340 174.600 -0.021 0.000 1.006 534 S CA 0.628 58.811 58.200 -0.028 0.000 0.957 534 S CB 0.108 63.302 63.200 -0.010 0.000 0.773 534 S HN 0.681 nan 8.310 nan 0.000 0.507 535 G N 0.725 109.515 108.800 -0.016 0.000 2.679 535 G HA2 0.196 4.153 3.960 -0.005 0.000 0.212 535 G HA3 0.196 4.153 3.960 -0.005 0.000 0.212 535 G C 0.258 175.150 174.900 -0.014 0.000 1.137 535 G CA 0.061 45.154 45.100 -0.010 0.000 0.787 535 G HN 0.444 nan 8.290 nan 0.000 0.534 536 V N 1.612 121.510 119.914 -0.026 0.000 2.383 536 V HA 0.263 4.380 4.120 -0.005 0.000 0.275 536 V C 1.133 177.215 176.094 -0.020 0.000 1.036 536 V CA -0.875 61.409 62.300 -0.027 0.000 0.889 536 V CB 1.456 33.250 31.823 -0.047 0.000 0.985 536 V HN 0.182 nan 8.190 nan 0.000 0.459 537 R N 2.019 122.521 120.500 0.003 0.000 2.064 537 R HA -0.016 4.320 4.340 -0.005 0.000 0.228 537 R C 0.832 177.172 176.300 0.067 0.000 1.144 537 R CA 0.751 56.869 56.100 0.029 0.000 0.932 537 R CB -0.335 29.984 30.300 0.030 0.000 0.833 537 R HN 0.736 nan 8.270 nan 0.000 0.429 538 D N 1.407 121.848 120.400 0.070 0.000 2.363 538 D HA -0.009 4.628 4.640 -0.005 0.000 0.263 538 D C 0.838 177.168 176.300 0.050 0.000 1.258 538 D CA 0.208 54.292 54.000 0.139 0.000 0.907 538 D CB 0.624 41.488 40.800 0.107 0.000 1.107 538 D HN 0.025 nan 8.370 nan 0.000 0.495 539 R N 1.637 122.136 120.500 -0.002 0.000 2.092 539 R HA -0.113 4.224 4.340 -0.005 0.000 0.231 539 R C 2.261 178.388 176.300 -0.289 0.000 1.119 539 R CA 1.246 57.142 56.100 -0.340 0.000 0.970 539 R CB -0.165 29.649 30.300 -0.809 0.000 0.864 539 R HN 0.504 nan 8.270 nan 0.000 0.440 540 S N 1.182 116.816 115.700 -0.109 0.000 2.440 540 S HA -0.162 4.305 4.470 -0.005 0.000 0.240 540 S C 1.633 176.208 174.600 -0.041 0.000 1.014 540 S CA 1.155 59.345 58.200 -0.016 0.000 0.980 540 S CB -0.089 63.183 63.200 0.120 0.000 0.775 540 S HN 0.286 nan 8.310 nan 0.000 0.499 541 K N 0.429 120.802 120.400 -0.045 0.000 2.365 541 K HA 0.175 4.492 4.320 -0.005 0.000 0.197 541 K C 0.854 177.389 176.600 -0.109 0.000 1.042 541 K CA 0.002 56.255 56.287 -0.057 0.000 0.987 541 K CB 0.099 32.581 32.500 -0.030 0.000 0.779 541 K HN 0.378 nan 8.250 nan 0.000 0.484 542 R N 1.057 121.465 120.500 -0.154 0.000 2.738 542 R HA 0.055 4.392 4.340 -0.005 0.000 0.268 542 R C 1.245 177.413 176.300 -0.220 0.000 1.062 542 R CA -0.179 55.808 56.100 -0.188 0.000 1.158 542 R CB 0.460 30.624 30.300 -0.225 0.000 1.046 542 R HN -0.135 nan 8.270 nan 0.000 0.493 543 K N 1.672 121.903 120.400 -0.282 0.000 2.097 543 K HA -0.080 4.237 4.320 -0.005 0.000 0.205 543 K C 0.407 176.859 176.600 -0.247 0.000 1.050 543 K CA 1.434 57.478 56.287 -0.404 0.000 0.938 543 K CB 0.103 32.100 32.500 -0.839 0.000 0.718 543 K HN 0.387 nan 8.250 nan 0.000 0.442 544 R N 0.632 121.017 120.500 -0.192 0.000 2.477 544 R HA 0.159 4.496 4.340 -0.005 0.000 0.285 544 R C -2.063 174.099 176.300 -0.230 0.000 1.415 544 R CA -1.470 54.548 56.100 -0.138 0.000 1.446 544 R CB 1.153 31.410 30.300 -0.072 0.000 1.110 544 R HN -0.096 nan 8.270 nan 0.000 0.590 545 P HA -0.149 nan 4.420 nan 0.000 0.215 545 P C -0.274 176.330 177.300 -1.160 0.000 1.157 545 P CA 1.378 64.081 63.100 -0.662 0.000 0.874 545 P CB 0.269 31.771 31.700 -0.329 0.000 0.790 546 F N -3.892 115.999 119.950 -0.099 0.000 2.708 546 F HA 0.338 4.862 4.527 -0.005 0.000 0.344 546 F C -1.875 173.905 175.800 -0.035 0.000 1.447 546 F CA -2.072 55.878 58.000 -0.083 0.000 1.140 546 F CB 0.769 39.707 39.000 -0.103 0.000 1.657 546 F HN -0.113 nan 8.300 nan 0.000 0.598 547 P HA -0.258 nan 4.420 nan 0.000 0.214 547 P C 2.028 179.394 177.300 0.110 0.000 1.164 547 P CA 2.634 65.805 63.100 0.119 0.000 0.942 547 P CB 0.110 31.906 31.700 0.159 0.000 0.791 548 G N -0.374 108.445 108.800 0.031 0.000 2.596 548 G HA2 -0.314 3.643 3.960 -0.005 0.000 0.223 548 G HA3 -0.314 3.643 3.960 -0.005 0.000 0.223 548 G C 1.466 176.398 174.900 0.053 0.000 1.120 548 G CA 1.073 46.151 45.100 -0.037 0.000 0.752 548 G HN 0.261 nan 8.290 nan 0.000 0.596 549 L N 0.459 121.735 121.223 0.088 0.000 2.261 549 L HA -0.131 4.206 4.340 -0.005 0.000 0.216 549 L C 3.337 180.261 176.870 0.091 0.000 1.114 549 L CA 0.774 55.659 54.840 0.075 0.000 0.777 549 L CB -0.365 41.730 42.059 0.059 0.000 0.910 549 L HN 0.355 nan 8.230 nan 0.000 0.440 550 A N -0.441 122.453 122.820 0.124 0.000 1.902 550 A HA -0.267 4.050 4.320 -0.005 0.000 0.217 550 A C 2.157 179.820 177.584 0.133 0.000 1.181 550 A CA 1.201 53.312 52.037 0.125 0.000 0.623 550 A CB -0.942 18.152 19.000 0.156 0.000 0.818 550 A HN 0.640 nan 8.150 nan 0.000 0.443 551 W N 0.638 121.921 121.300 -0.029 0.000 2.305 551 W HA -0.335 4.321 4.660 -0.006 0.000 0.308 551 W C 2.453 178.964 176.519 -0.014 0.000 1.226 551 W CA 2.320 59.641 57.345 -0.041 0.000 1.253 551 W CB -0.290 29.099 29.460 -0.119 0.000 1.146 551 W HN 0.471 nan 8.180 nan 0.000 0.507 552 A N 0.525 123.414 122.820 0.115 0.000 1.865 552 A HA -0.282 4.035 4.320 -0.005 0.000 0.217 552 A C 2.012 179.570 177.584 -0.044 0.000 1.191 552 A CA 3.082 55.135 52.037 0.027 0.000 0.623 552 A CB -1.340 17.676 19.000 0.027 0.000 0.826 552 A HN 0.375 nan 8.150 nan 0.000 0.444 553 S N -0.802 114.875 115.700 -0.038 0.000 2.489 553 S HA -0.074 4.393 4.470 -0.005 0.000 0.228 553 S C 1.869 176.421 174.600 -0.081 0.000 0.995 553 S CA 1.150 59.312 58.200 -0.064 0.000 0.934 553 S CB -0.649 62.520 63.200 -0.052 0.000 0.771 553 S HN 0.611 nan 8.310 nan 0.000 0.522 554 M N 2.430 121.982 119.600 -0.081 0.000 2.706 554 M HA -0.330 4.147 4.480 -0.005 0.000 0.266 554 M C 2.218 178.476 176.300 -0.070 0.000 1.060 554 M CA 2.507 57.785 55.300 -0.036 0.000 1.070 554 M CB -0.440 32.006 32.600 -0.258 0.000 1.241 554 M HN 0.292 nan 8.290 nan 0.000 0.488 555 K N -0.324 119.978 120.400 -0.162 0.000 2.160 555 K HA -0.269 4.048 4.320 -0.005 0.000 0.206 555 K C 1.847 178.276 176.600 -0.286 0.000 1.047 555 K CA 2.141 58.263 56.287 -0.276 0.000 0.930 555 K CB -0.428 31.996 32.500 -0.126 0.000 0.720 555 K HN 0.614 nan 8.250 nan 0.000 0.450 556 D N -0.594 119.691 120.400 -0.191 0.000 2.117 556 D HA -0.104 4.532 4.640 -0.005 0.000 0.198 556 D C 1.362 177.524 176.300 -0.230 0.000 0.982 556 D CA 1.375 55.266 54.000 -0.181 0.000 0.828 556 D CB 0.199 40.916 40.800 -0.139 0.000 0.967 556 D HN 0.259 nan 8.370 nan 0.000 0.464 557 T N -0.804 113.588 114.554 -0.269 0.000 2.735 557 T HA -0.114 4.233 4.350 -0.005 0.000 0.256 557 T C 1.366 175.747 174.700 -0.531 0.000 1.042 557 T CA 0.960 62.789 62.100 -0.452 0.000 1.147 557 T CB -0.358 68.125 68.868 -0.642 0.000 0.865 557 T HN 0.221 nan 8.240 nan 0.000 0.421 558 Y N 0.831 120.969 120.300 -0.269 0.000 2.457 558 Y HA 0.423 4.970 4.550 -0.006 0.000 0.263 558 Y C 2.307 177.819 175.900 -0.648 0.000 1.164 558 Y CA -0.700 57.222 58.100 -0.296 0.000 1.274 558 Y CB -0.579 37.817 38.460 -0.108 0.000 1.097 558 Y HN 0.222 nan 8.280 nan 0.000 0.523 559 G N 0.841 109.237 108.800 -0.673 0.000 2.469 559 G HA2 -0.299 3.657 3.960 -0.005 0.000 0.219 559 G HA3 -0.299 3.657 3.960 -0.005 0.000 0.219 559 G C 1.729 176.435 174.900 -0.324 0.000 1.150 559 G CA 0.972 45.599 45.100 -0.788 0.000 0.763 559 G HN 0.449 nan 8.290 nan 0.000 0.561 560 A N -0.744 121.968 122.820 -0.181 0.000 2.252 560 A HA 0.309 4.626 4.320 -0.005 0.000 0.207 560 A C 0.919 178.502 177.584 -0.002 0.000 1.194 560 A CA -0.080 51.918 52.037 -0.065 0.000 0.809 560 A CB -0.685 18.280 19.000 -0.057 0.000 0.814 560 A HN 0.319 nan 8.150 nan 0.000 0.482 561 C N 0.727 120.042 119.300 0.026 0.000 2.629 561 C HA 0.219 4.675 4.460 -0.005 0.000 0.410 561 C C -0.582 174.476 174.990 0.115 0.000 1.339 561 C CA -0.624 58.453 59.018 0.098 0.000 1.810 561 C CB 0.343 28.186 27.740 0.171 0.000 2.549 561 C HN 0.448 nan 8.230 nan 0.000 0.589 562 P HA -0.162 nan 4.420 nan 0.000 0.218 562 P C 0.898 178.262 177.300 0.107 0.000 1.150 562 P CA 1.578 64.737 63.100 0.098 0.000 0.841 562 P CB -0.045 31.712 31.700 0.094 0.000 0.784 563 I N -6.901 113.714 120.570 0.075 0.000 3.974 563 I HA 0.192 4.359 4.170 -0.005 0.000 0.334 563 I C 1.874 177.969 176.117 -0.037 0.000 1.437 563 I CA -0.506 60.783 61.300 -0.018 0.000 1.113 563 I CB -0.647 37.201 38.000 -0.254 0.000 1.063 563 I HN -0.167 nan 8.210 nan 0.000 0.400 564 Y N 3.074 123.345 120.300 -0.049 0.000 1.967 564 Y HA -0.464 4.083 4.550 -0.006 0.000 0.260 564 Y C 2.853 178.726 175.900 -0.045 0.000 1.181 564 Y CA 3.073 61.149 58.100 -0.040 0.000 1.097 564 Y CB -0.190 38.271 38.460 0.002 0.000 0.934 564 Y HN 0.482 nan 8.280 nan 0.000 0.492 565 S N -0.404 115.162 115.700 -0.223 0.000 2.399 565 S HA -0.208 4.259 4.470 -0.005 0.000 0.231 565 S C 1.384 175.887 174.600 -0.162 0.000 1.022 565 S CA 1.578 59.608 58.200 -0.284 0.000 0.983 565 S CB -0.722 62.437 63.200 -0.068 0.000 0.803 565 S HN 0.622 nan 8.310 nan 0.000 0.480 566 D N 1.718 122.072 120.400 -0.077 0.000 2.117 566 D HA -0.043 4.593 4.640 -0.005 0.000 0.197 566 D C 2.001 178.261 176.300 -0.067 0.000 0.987 566 D CA 1.068 55.077 54.000 0.015 0.000 0.829 566 D CB -0.545 40.355 40.800 0.166 0.000 0.961 566 D HN 0.298 nan 8.370 nan 0.000 0.460 567 V N 0.700 120.468 119.914 -0.244 0.000 2.255 567 V HA -0.244 3.872 4.120 -0.005 0.000 0.247 567 V C 2.480 178.504 176.094 -0.118 0.000 1.051 567 V CA 1.356 63.514 62.300 -0.237 0.000 1.018 567 V CB -0.596 31.056 31.823 -0.285 0.000 0.641 567 V HN 0.242 nan 8.190 nan 0.000 0.445 568 L N -0.435 120.675 121.223 -0.188 0.000 2.013 568 L HA -0.279 4.057 4.340 -0.005 0.000 0.212 568 L C 2.600 179.484 176.870 0.022 0.000 1.073 568 L CA 1.984 56.772 54.840 -0.087 0.000 0.753 568 L CB -0.642 41.274 42.059 -0.239 0.000 0.890 568 L HN 0.401 nan 8.230 nan 0.000 0.432 569 E N -0.268 119.928 120.200 -0.007 0.000 2.049 569 E HA -0.285 4.061 4.350 -0.005 0.000 0.198 569 E C 2.266 178.886 176.600 0.033 0.000 1.007 569 E CA 1.362 57.783 56.400 0.036 0.000 0.809 569 E CB -0.197 29.519 29.700 0.027 0.000 0.749 569 E HN 0.522 nan 8.360 nan 0.000 0.450 570 A N 1.196 124.012 122.820 -0.007 0.000 1.892 570 A HA -0.233 4.084 4.320 -0.005 0.000 0.218 570 A C 2.171 179.757 177.584 0.004 0.000 1.188 570 A CA 1.514 53.490 52.037 -0.103 0.000 0.631 570 A CB -0.781 18.195 19.000 -0.040 0.000 0.822 570 A HN 0.199 nan 8.150 nan 0.000 0.447 571 I N -0.900 119.729 120.570 0.099 0.000 2.099 571 I HA -0.297 3.869 4.170 -0.005 0.000 0.239 571 I C 2.589 178.884 176.117 0.298 0.000 1.066 571 I CA 2.104 63.545 61.300 0.234 0.000 1.324 571 I CB -0.769 37.370 38.000 0.232 0.000 1.037 571 I HN 0.448 nan 8.210 nan 0.000 0.401 572 E N 1.420 121.781 120.200 0.268 0.000 2.108 572 E HA -0.302 4.045 4.350 -0.005 0.000 0.203 572 E C 2.278 179.145 176.600 0.445 0.000 1.022 572 E CA 1.905 58.514 56.400 0.350 0.000 0.823 572 E CB -0.274 29.612 29.700 0.311 0.000 0.744 572 E HN 0.234 nan 8.360 nan 0.000 0.456 573 R N -0.409 120.268 120.500 0.295 0.000 2.080 573 R HA -0.161 4.176 4.340 -0.005 0.000 0.236 573 R C 2.350 178.827 176.300 0.294 0.000 1.137 573 R CA 1.970 58.217 56.100 0.246 0.000 0.943 573 R CB -0.856 29.463 30.300 0.032 0.000 0.846 573 R HN 0.384 nan 8.270 nan 0.000 0.431 574 C N -0.210 119.243 119.300 0.255 0.000 2.425 574 C HA -0.094 4.362 4.460 -0.005 0.000 0.277 574 C C 2.398 177.656 174.990 0.447 0.000 1.280 574 C CA 0.126 59.330 59.018 0.310 0.000 1.744 574 C CB -1.415 26.491 27.740 0.276 0.000 1.989 574 C HN 0.687 nan 8.230 nan 0.000 0.491 575 W N -0.228 121.212 121.300 0.233 0.000 2.363 575 W HA -0.138 4.519 4.660 -0.006 0.000 0.296 575 W C 2.178 178.735 176.519 0.063 0.000 1.212 575 W CA 1.131 58.479 57.345 0.005 0.000 1.260 575 W CB -0.648 28.678 29.460 -0.222 0.000 1.131 575 W HN 0.458 nan 8.180 nan 0.000 0.530 576 W N 1.395 122.881 121.300 0.311 0.000 2.332 576 W HA -0.267 4.390 4.660 -0.005 0.000 0.321 576 W C 2.366 178.921 176.519 0.059 0.000 1.219 576 W CA 1.917 59.370 57.345 0.179 0.000 1.277 576 W CB -1.003 28.539 29.460 0.137 0.000 1.161 576 W HN -0.195 nan 8.180 nan 0.000 0.476 577 N N -0.072 118.817 118.700 0.315 0.000 2.247 577 N HA -0.197 4.539 4.740 -0.005 0.000 0.189 577 N C 1.426 176.924 175.510 -0.020 0.000 1.009 577 N CA 1.976 55.112 53.050 0.143 0.000 0.872 577 N CB -0.987 37.566 38.487 0.109 0.000 0.980 577 N HN 0.239 nan 8.380 nan 0.000 0.436 578 A N -0.895 121.836 122.820 -0.149 0.000 2.014 578 A HA 0.251 4.568 4.320 -0.005 0.000 0.210 578 A C 1.364 178.454 177.584 -0.824 0.000 1.188 578 A CA 0.222 51.964 52.037 -0.491 0.000 0.731 578 A CB -0.017 18.607 19.000 -0.626 0.000 0.858 578 A HN 0.176 nan 8.150 nan 0.000 0.464 579 F N -1.094 118.557 119.950 -0.499 0.000 2.727 579 F HA 0.378 4.902 4.527 -0.006 0.000 0.302 579 F C 1.643 177.227 175.800 -0.360 0.000 1.107 579 F CA 0.407 58.095 58.000 -0.520 0.000 1.277 579 F CB 0.441 38.928 39.000 -0.854 0.000 1.079 579 F HN 0.284 nan 8.300 nan 0.000 0.594 580 G N 1.643 110.348 108.800 -0.157 0.000 2.272 580 G HA2 -0.231 3.726 3.960 -0.005 0.000 0.280 580 G HA3 -0.231 3.726 3.960 -0.005 0.000 0.280 580 G C -0.262 174.263 174.900 -0.625 0.000 1.067 580 G CA 0.277 45.319 45.100 -0.096 0.000 0.902 580 G HN 0.409 nan 8.290 nan 0.000 0.500 581 E N -1.166 118.324 120.200 -1.183 0.000 2.445 581 E HA 0.526 4.873 4.350 -0.005 0.000 0.279 581 E C -0.703 175.170 176.600 -1.211 0.000 1.018 581 E CA -0.711 55.035 56.400 -1.090 0.000 0.816 581 E CB 1.261 30.745 29.700 -0.360 0.000 1.356 581 E HN 0.322 nan 8.360 nan 0.000 0.462 582 S N 0.520 115.900 115.700 -0.534 0.000 2.439 582 S HA 0.094 4.560 4.470 -0.005 0.000 0.282 582 S C 0.333 174.804 174.600 -0.215 0.000 1.170 582 S CA -0.286 57.817 58.200 -0.162 0.000 1.054 582 S CB 0.075 63.343 63.200 0.112 0.000 0.956 582 S HN 0.690 nan 8.310 nan 0.000 0.490 583 Y N 5.758 125.803 120.300 -0.425 0.000 2.200 583 Y HA -0.112 4.435 4.550 -0.005 0.000 0.290 583 Y C 2.464 178.044 175.900 -0.534 0.000 1.137 583 Y CA 1.975 59.534 58.100 -0.901 0.000 1.163 583 Y CB -0.152 37.658 38.460 -1.084 0.000 0.988 583 Y HN 0.792 nan 8.280 nan 0.000 0.518 584 R N 0.642 120.949 120.500 -0.322 0.000 2.091 584 R HA -0.228 4.109 4.340 -0.005 0.000 0.238 584 R C 2.327 178.331 176.300 -0.493 0.000 1.136 584 R CA 1.499 57.380 56.100 -0.364 0.000 0.959 584 R CB -0.681 29.640 30.300 0.035 0.000 0.856 584 R HN 0.461 nan 8.270 nan 0.000 0.437 585 A N 0.589 123.239 122.820 -0.283 0.000 1.849 585 A HA -0.281 4.036 4.320 -0.005 0.000 0.217 585 A C 2.061 179.425 177.584 -0.367 0.000 1.202 585 A CA 1.689 53.585 52.037 -0.236 0.000 0.629 585 A CB -1.344 17.589 19.000 -0.113 0.000 0.834 585 A HN 0.647 nan 8.150 nan 0.000 0.447 586 Y N 0.906 120.866 120.300 -0.567 0.000 2.096 586 Y HA -0.317 4.230 4.550 -0.006 0.000 0.278 586 Y C 2.424 177.835 175.900 -0.815 0.000 1.192 586 Y CA 2.528 60.242 58.100 -0.642 0.000 1.143 586 Y CB -0.215 37.798 38.460 -0.745 0.000 0.963 586 Y HN 0.237 nan 8.280 nan 0.000 0.505 587 R N 0.560 120.297 120.500 -1.272 0.000 2.148 587 R HA -0.081 4.256 4.340 -0.005 0.000 0.223 587 R C 2.080 177.691 176.300 -1.148 0.000 1.088 587 R CA 1.466 56.627 56.100 -1.566 0.000 0.985 587 R CB -0.654 28.034 30.300 -2.685 0.000 0.880 587 R HN 0.606 nan 8.270 nan 0.000 0.451 588 E N 0.635 120.294 120.200 -0.903 0.000 2.107 588 E HA -0.134 4.213 4.350 -0.005 0.000 0.191 588 E C 1.203 177.587 176.600 -0.360 0.000 0.982 588 E CA 1.034 57.130 56.400 -0.508 0.000 0.809 588 E CB -0.014 29.494 29.700 -0.320 0.000 0.756 588 E HN 0.255 nan 8.360 nan 0.000 0.459 589 D N 0.961 121.135 120.400 -0.376 0.000 2.087 589 D HA -0.196 4.440 4.640 -0.005 0.000 0.192 589 D C 1.875 178.000 176.300 -0.291 0.000 0.993 589 D CA 1.041 54.878 54.000 -0.272 0.000 0.828 589 D CB -0.308 40.346 40.800 -0.245 0.000 0.968 589 D HN 0.062 nan 8.370 nan 0.000 0.448 590 M N 0.179 119.512 119.600 -0.445 0.000 2.106 590 M HA -0.192 4.285 4.480 -0.005 0.000 0.259 590 M C 2.097 178.248 176.300 -0.249 0.000 1.068 590 M CA 1.234 56.294 55.300 -0.400 0.000 1.100 590 M CB -0.075 32.152 32.600 -0.621 0.000 1.351 590 M HN 0.076 nan 8.290 nan 0.000 0.404 591 L N 0.147 121.217 121.223 -0.255 0.000 1.970 591 L HA -0.314 4.023 4.340 -0.005 0.000 0.212 591 L C 2.553 179.372 176.870 -0.084 0.000 1.071 591 L CA 2.013 56.781 54.840 -0.119 0.000 0.751 591 L CB -0.571 41.444 42.059 -0.074 0.000 0.889 591 L HN 0.371 nan 8.230 nan 0.000 0.432 592 K N -0.170 120.170 120.400 -0.100 0.000 2.015 592 K HA -0.282 4.035 4.320 -0.005 0.000 0.216 592 K C 2.190 178.758 176.600 -0.054 0.000 1.052 592 K CA 1.914 58.159 56.287 -0.069 0.000 0.937 592 K CB -0.212 32.243 32.500 -0.075 0.000 0.719 592 K HN 0.255 nan 8.250 nan 0.000 0.446 593 R N 0.437 120.896 120.500 -0.068 0.000 2.112 593 R HA -0.183 4.153 4.340 -0.005 0.000 0.242 593 R C 2.153 178.456 176.300 0.003 0.000 1.137 593 R CA 2.119 58.196 56.100 -0.038 0.000 0.944 593 R CB -0.519 29.744 30.300 -0.061 0.000 0.857 593 R HN 0.410 nan 8.270 nan 0.000 0.435 594 D N -0.471 119.936 120.400 0.010 0.000 2.097 594 D HA -0.100 4.536 4.640 -0.005 0.000 0.195 594 D C 1.873 178.190 176.300 0.028 0.000 0.989 594 D CA 1.514 55.573 54.000 0.098 0.000 0.827 594 D CB -0.422 40.459 40.800 0.135 0.000 0.966 594 D HN 0.204 nan 8.370 nan 0.000 0.456 595 T N 1.337 115.876 114.554 -0.026 0.000 2.699 595 T HA -0.145 4.202 4.350 -0.005 0.000 0.268 595 T C 2.182 176.853 174.700 -0.048 0.000 1.036 595 T CA 0.814 62.876 62.100 -0.063 0.000 1.147 595 T CB -0.282 68.555 68.868 -0.050 0.000 0.862 595 T HN 0.139 nan 8.240 nan 0.000 0.446 596 L N 0.482 121.696 121.223 -0.014 0.000 1.973 596 L HA -0.056 4.281 4.340 -0.005 0.000 0.208 596 L C 2.776 179.671 176.870 0.042 0.000 1.073 596 L CA 1.422 56.265 54.840 0.005 0.000 0.746 596 L CB -0.711 41.355 42.059 0.011 0.000 0.891 596 L HN 0.145 nan 8.230 nan 0.000 0.433 597 E N 0.724 120.977 120.200 0.088 0.000 2.136 597 E HA -0.295 4.052 4.350 -0.005 0.000 0.202 597 E C 1.987 178.727 176.600 0.232 0.000 1.019 597 E CA 1.578 58.096 56.400 0.198 0.000 0.819 597 E CB -0.414 29.436 29.700 0.250 0.000 0.739 597 E HN 0.260 nan 8.360 nan 0.000 0.458 598 L N 0.529 121.746 121.223 -0.009 0.000 2.013 598 L HA -0.218 4.119 4.340 -0.005 0.000 0.212 598 L C 2.299 179.143 176.870 -0.042 0.000 1.073 598 L CA 2.635 57.291 54.840 -0.305 0.000 0.753 598 L CB -1.103 40.642 42.059 -0.524 0.000 0.890 598 L HN 0.320 nan 8.230 nan 0.000 0.432 599 S N -0.944 114.747 115.700 -0.016 0.000 2.442 599 S HA -0.270 4.197 4.470 -0.005 0.000 0.236 599 S C 2.125 176.753 174.600 0.048 0.000 1.007 599 S CA 1.068 59.270 58.200 0.003 0.000 0.965 599 S CB -0.824 62.368 63.200 -0.013 0.000 0.773 599 S HN 0.596 nan 8.310 nan 0.000 0.504 600 R N -0.359 120.211 120.500 0.116 0.000 2.193 600 R HA -0.078 4.258 4.340 -0.005 0.000 0.229 600 R C 1.297 177.545 176.300 -0.087 0.000 1.110 600 R CA 1.370 57.495 56.100 0.043 0.000 0.988 600 R CB -0.210 30.154 30.300 0.108 0.000 0.871 600 R HN 0.560 nan 8.270 nan 0.000 0.458 601 Y N -0.779 119.522 120.300 0.002 0.000 2.265 601 Y HA 0.176 4.723 4.550 -0.005 0.000 0.290 601 Y C 0.845 176.729 175.900 -0.027 0.000 1.137 601 Y CA -0.125 57.981 58.100 0.010 0.000 1.147 601 Y CB -0.159 38.337 38.460 0.059 0.000 1.104 601 Y HN -0.274 nan 8.280 nan 0.000 0.514 602 V N 1.586 121.561 119.914 0.102 0.000 2.585 602 V HA 0.115 4.232 4.120 -0.005 0.000 0.296 602 V C 0.998 177.090 176.094 -0.005 0.000 1.035 602 V CA 0.404 62.714 62.300 0.017 0.000 1.084 602 V CB 0.616 32.418 31.823 -0.035 0.000 0.953 602 V HN 0.433 nan 8.190 nan 0.000 0.483 603 A N 3.988 126.800 122.820 -0.013 0.000 1.878 603 A HA -0.016 4.301 4.320 -0.005 0.000 0.213 603 A C 2.033 179.604 177.584 -0.022 0.000 1.192 603 A CA 1.101 53.126 52.037 -0.020 0.000 0.619 603 A CB -0.514 18.473 19.000 -0.021 0.000 0.837 603 A HN 1.024 nan 8.150 nan 0.000 0.446 604 S N -1.096 114.591 115.700 -0.022 0.000 2.988 604 S HA 0.249 4.715 4.470 -0.005 0.000 0.237 604 S C 0.205 174.788 174.600 -0.028 0.000 0.989 604 S CA 0.397 58.583 58.200 -0.023 0.000 1.054 604 S CB -0.727 62.459 63.200 -0.023 0.000 0.818 604 S HN 0.446 nan 8.310 nan 0.000 0.526 605 M N 2.013 121.596 119.600 -0.028 0.000 2.090 605 M HA 0.548 5.025 4.480 -0.005 0.000 0.277 605 M C -0.298 175.986 176.300 -0.026 0.000 0.935 605 M CA -0.318 54.963 55.300 -0.032 0.000 0.966 605 M CB 1.673 34.248 32.600 -0.042 0.000 1.635 605 M HN 0.270 nan 8.290 nan 0.000 0.446 606 A N 3.386 126.191 122.820 -0.024 0.000 2.561 606 A HA 0.089 4.405 4.320 -0.005 0.000 0.234 606 A C 0.762 178.334 177.584 -0.019 0.000 1.055 606 A CA 0.261 52.286 52.037 -0.020 0.000 0.756 606 A CB 0.153 19.142 19.000 -0.019 0.000 0.986 606 A HN 0.966 nan 8.150 nan 0.000 0.505 607 R N 0.397 120.887 120.500 -0.016 0.000 2.479 607 R HA -0.117 4.220 4.340 -0.005 0.000 0.212 607 R C 0.823 177.116 176.300 -0.011 0.000 1.367 607 R CA 1.466 57.558 56.100 -0.013 0.000 1.290 607 R CB -0.275 30.017 30.300 -0.012 0.000 0.876 607 R HN 0.894 nan 8.270 nan 0.000 0.486 608 Q N -2.451 117.340 119.800 -0.015 0.000 1.480 608 Q HA 0.131 4.468 4.340 -0.005 0.000 0.150 608 Q C -0.952 175.036 176.000 -0.021 0.000 0.685 608 Q CA 0.007 55.801 55.803 -0.016 0.000 0.680 608 Q CB 0.490 29.220 28.738 -0.014 0.000 1.161 608 Q HN 0.269 nan 8.270 nan 0.000 0.352 609 A N 0.857 123.663 122.820 -0.022 0.000 2.491 609 A HA 0.605 4.922 4.320 -0.005 0.000 0.261 609 A C 0.476 178.041 177.584 -0.033 0.000 1.101 609 A CA 0.779 52.801 52.037 -0.025 0.000 0.772 609 A CB 0.120 19.105 19.000 -0.025 0.000 1.043 609 A HN 0.329 nan 8.150 nan 0.000 0.501 610 G N 1.387 110.167 108.800 -0.033 0.000 2.441 610 G HA2 0.505 4.462 3.960 -0.005 0.000 0.334 610 G HA3 0.505 4.462 3.960 -0.005 0.000 0.334 610 G C 0.483 175.356 174.900 -0.046 0.000 1.161 610 G CA -0.578 44.497 45.100 -0.042 0.000 0.935 610 G HN 0.875 nan 8.290 nan 0.000 0.488 611 L N 1.097 122.285 121.223 -0.059 0.000 4.474 611 L HA -0.369 3.968 4.340 -0.005 0.000 0.053 611 L C 2.770 179.610 176.870 -0.051 0.000 2.806 611 L CA 2.320 57.123 54.840 -0.062 0.000 1.800 611 L CB -1.493 40.533 42.059 -0.054 0.000 2.643 611 L HN 1.709 nan 8.230 nan 0.000 0.744 612 A N -2.007 120.786 122.820 -0.044 0.000 1.282 612 A HA -0.326 3.991 4.320 -0.005 0.000 0.226 612 A C 1.559 179.117 177.584 -0.043 0.000 0.465 612 A CA 1.909 53.923 52.037 -0.039 0.000 1.095 612 A CB -1.698 17.282 19.000 -0.033 0.000 1.470 612 A HN 0.768 nan 8.150 nan 0.000 0.723 613 E N 0.762 120.935 120.200 -0.045 0.000 2.472 613 E HA 0.108 4.455 4.350 -0.005 0.000 0.200 613 E C 0.624 177.190 176.600 -0.056 0.000 1.046 613 E CA 0.584 56.956 56.400 -0.046 0.000 0.871 613 E CB -0.305 29.369 29.700 -0.043 0.000 0.806 613 E HN 0.769 nan 8.360 nan 0.000 0.533 614 L N 1.173 122.358 121.223 -0.063 0.000 2.395 614 L HA 0.174 4.510 4.340 -0.005 0.000 0.269 614 L C 0.626 177.454 176.870 -0.070 0.000 1.133 614 L CA -0.207 54.588 54.840 -0.075 0.000 0.812 614 L CB 0.836 42.843 42.059 -0.086 0.000 1.125 614 L HN -0.190 nan 8.230 nan 0.000 0.452 615 T N 1.922 116.429 114.554 -0.077 0.000 2.922 615 T HA 0.175 4.522 4.350 -0.005 0.000 0.285 615 T C -1.726 172.926 174.700 -0.079 0.000 1.005 615 T CA -1.178 60.876 62.100 -0.076 0.000 1.061 615 T CB 1.624 70.444 68.868 -0.079 0.000 1.007 615 T HN 0.406 nan 8.240 nan 0.000 0.502 616 P HA -0.062 nan 4.420 nan 0.000 0.217 616 P C 1.416 178.664 177.300 -0.086 0.000 1.148 616 P CA 0.627 63.676 63.100 -0.085 0.000 0.828 616 P CB 0.086 31.726 31.700 -0.100 0.000 0.783 617 I N -0.840 119.675 120.570 -0.092 0.000 2.353 617 I HA -0.211 3.956 4.170 -0.005 0.000 0.248 617 I C 1.364 177.431 176.117 -0.083 0.000 1.119 617 I CA 1.612 62.857 61.300 -0.092 0.000 1.417 617 I CB -0.219 37.723 38.000 -0.097 0.000 1.078 617 I HN -0.159 nan 8.210 nan 0.000 0.421 618 D N 0.587 120.932 120.400 -0.091 0.000 2.084 618 D HA -0.178 4.459 4.640 -0.005 0.000 0.194 618 D C 2.269 178.523 176.300 -0.077 0.000 0.990 618 D CA 1.336 55.277 54.000 -0.099 0.000 0.826 618 D CB -0.470 40.262 40.800 -0.114 0.000 0.971 618 D HN 0.288 nan 8.370 nan 0.000 0.453 619 L N 0.494 121.675 121.223 -0.070 0.000 2.081 619 L HA -0.225 4.112 4.340 -0.005 0.000 0.212 619 L C 2.393 179.251 176.870 -0.020 0.000 1.080 619 L CA 1.142 55.953 54.840 -0.047 0.000 0.754 619 L CB -0.341 41.692 42.059 -0.044 0.000 0.893 619 L HN 0.001 nan 8.230 nan 0.000 0.433 620 E N -0.024 120.156 120.200 -0.033 0.000 2.047 620 E HA -0.146 4.201 4.350 -0.005 0.000 0.191 620 E C 2.127 178.724 176.600 -0.005 0.000 0.987 620 E CA 1.163 57.552 56.400 -0.019 0.000 0.799 620 E CB -0.130 29.540 29.700 -0.050 0.000 0.752 620 E HN 0.206 nan 8.360 nan 0.000 0.449 621 V N 0.555 120.455 119.914 -0.023 0.000 2.453 621 V HA -0.173 3.943 4.120 -0.005 0.000 0.247 621 V C 2.403 178.505 176.094 0.013 0.000 1.048 621 V CA 1.240 63.531 62.300 -0.015 0.000 1.049 621 V CB -0.429 31.370 31.823 -0.040 0.000 0.672 621 V HN 0.252 nan 8.190 nan 0.000 0.457 622 L N 0.199 121.435 121.223 0.021 0.000 2.131 622 L HA -0.142 4.195 4.340 -0.005 0.000 0.210 622 L C 2.636 179.613 176.870 0.177 0.000 1.092 622 L CA 1.419 56.321 54.840 0.103 0.000 0.759 622 L CB -0.623 41.446 42.059 0.017 0.000 0.903 622 L HN 0.373 nan 8.230 nan 0.000 0.435 623 A N -1.126 121.758 122.820 0.106 0.000 1.929 623 A HA -0.124 4.193 4.320 -0.005 0.000 0.216 623 A C 0.638 178.256 177.584 0.057 0.000 1.176 623 A CA 1.348 53.447 52.037 0.103 0.000 0.628 623 A CB -0.024 19.032 19.000 0.092 0.000 0.816 623 A HN 0.414 nan 8.150 nan 0.000 0.444 624 D N -2.907 117.517 120.400 0.040 0.000 2.419 624 D HA 0.280 4.917 4.640 -0.005 0.000 0.219 624 D C -2.797 173.508 176.300 0.009 0.000 1.349 624 D CA -1.328 52.685 54.000 0.020 0.000 0.964 624 D CB 1.234 42.058 40.800 0.040 0.000 1.463 624 D HN -0.137 nan 8.370 nan 0.000 0.573 625 P HA 0.011 nan 4.420 nan 0.000 0.223 625 P C 0.350 177.648 177.300 -0.004 0.000 1.151 625 P CA 0.677 63.772 63.100 -0.009 0.000 0.787 625 P CB 0.174 31.863 31.700 -0.019 0.000 0.788 626 N N -0.730 117.973 118.700 0.004 0.000 2.567 626 N HA -0.063 4.674 4.740 -0.005 0.000 0.195 626 N C 1.029 176.544 175.510 0.008 0.000 1.242 626 N CA 0.571 53.631 53.050 0.017 0.000 0.884 626 N CB -0.447 38.069 38.487 0.047 0.000 1.007 626 N HN 0.110 nan 8.380 nan 0.000 0.450 627 K N 0.328 120.726 120.400 -0.002 0.000 2.437 627 K HA 0.259 4.576 4.320 -0.005 0.000 0.205 627 K C -0.801 175.776 176.600 -0.037 0.000 1.026 627 K CA 0.037 56.313 56.287 -0.018 0.000 1.153 627 K CB 0.506 32.998 32.500 -0.014 0.000 0.863 627 K HN -0.013 nan 8.250 nan 0.000 0.502 628 L N 0.221 121.427 121.223 -0.029 0.000 3.138 628 L HA 0.124 4.461 4.340 -0.005 0.000 0.248 628 L C -1.069 175.791 176.870 -0.016 0.000 0.954 628 L CA 0.289 55.106 54.840 -0.037 0.000 1.147 628 L CB 1.193 43.225 42.059 -0.046 0.000 1.648 628 L HN -0.120 nan 8.230 nan 0.000 0.567 629 S N 1.539 117.230 115.700 -0.014 0.000 2.701 629 S HA 0.172 4.639 4.470 -0.005 0.000 0.242 629 S C 1.500 176.102 174.600 0.004 0.000 1.025 629 S CA 0.352 58.559 58.200 0.011 0.000 1.016 629 S CB 1.001 64.213 63.200 0.020 0.000 0.977 629 S HN 0.856 nan 8.310 nan 0.000 0.546 630 G N 1.561 110.332 108.800 -0.048 0.000 2.491 630 G HA2 -0.007 3.950 3.960 -0.005 0.000 0.218 630 G HA3 -0.007 3.950 3.960 -0.005 0.000 0.218 630 G C 0.590 175.388 174.900 -0.170 0.000 1.180 630 G CA 1.639 46.652 45.100 -0.144 0.000 0.774 630 G HN 0.537 nan 8.290 nan 0.000 0.562 631 T N -2.603 111.902 114.554 -0.082 0.000 2.678 631 T HA 0.222 4.569 4.350 -0.005 0.000 0.298 631 T C -1.469 173.255 174.700 0.040 0.000 1.875 631 T CA -0.456 61.628 62.100 -0.026 0.000 0.981 631 T CB 0.348 69.160 68.868 -0.093 0.000 1.953 631 T HN 0.066 nan 8.240 nan 0.000 0.510 632 E N 0.869 121.096 120.200 0.046 0.000 2.304 632 E HA 0.570 4.917 4.350 -0.005 0.000 0.212 632 E C 0.677 177.280 176.600 0.004 0.000 1.185 632 E CA 0.407 56.846 56.400 0.065 0.000 1.326 632 E CB 0.247 29.851 29.700 -0.160 0.000 1.283 632 E HN 0.582 nan 8.360 nan 0.000 0.440 633 A N 0.028 122.914 122.820 0.110 0.000 2.295 633 A HA 0.037 4.354 4.320 -0.005 0.000 0.193 633 A C 0.867 178.510 177.584 0.099 0.000 1.512 633 A CA -0.275 51.813 52.037 0.085 0.000 1.103 633 A CB 0.513 19.520 19.000 0.010 0.000 1.331 633 A HN 0.114 nan 8.150 nan 0.000 0.501 634 D N 0.222 120.665 120.400 0.072 0.000 2.349 634 D HA 0.149 4.786 4.640 -0.005 0.000 0.224 634 D C 0.176 176.475 176.300 -0.001 0.000 1.029 634 D CA 0.700 54.714 54.000 0.023 0.000 0.879 634 D CB 0.607 41.399 40.800 -0.013 0.000 0.906 634 D HN 0.207 nan 8.370 nan 0.000 0.528 635 V N 0.720 120.656 119.914 0.036 0.000 2.680 635 V HA 0.169 4.286 4.120 -0.005 0.000 0.309 635 V C 0.327 176.295 176.094 -0.210 0.000 1.052 635 V CA -1.005 61.215 62.300 -0.132 0.000 0.908 635 V CB 2.190 33.850 31.823 -0.272 0.000 1.001 635 V HN -0.090 nan 8.190 nan 0.000 0.431 636 S N 2.463 118.040 115.700 -0.205 0.000 2.558 636 S HA 0.149 4.616 4.470 -0.005 0.000 0.293 636 S C 1.504 175.988 174.600 -0.194 0.000 1.292 636 S CA 0.258 58.380 58.200 -0.130 0.000 1.063 636 S CB 1.079 64.210 63.200 -0.115 0.000 0.831 636 S HN 1.082 nan 8.310 nan 0.000 0.499 637 A N 4.526 127.407 122.820 0.101 0.000 1.873 637 A HA -0.235 4.082 4.320 -0.005 0.000 0.218 637 A C 1.989 179.664 177.584 0.153 0.000 1.193 637 A CA 1.893 54.109 52.037 0.299 0.000 0.629 637 A CB -0.800 18.296 19.000 0.159 0.000 0.826 637 A HN 0.892 nan 8.150 nan 0.000 0.447 638 N N 0.436 119.149 118.700 0.022 0.000 2.258 638 N HA -0.168 4.569 4.740 -0.005 0.000 0.187 638 N C 1.528 177.010 175.510 -0.046 0.000 1.012 638 N CA 1.693 54.737 53.050 -0.010 0.000 0.870 638 N CB -0.526 37.942 38.487 -0.033 0.000 0.977 638 N HN 0.462 nan 8.380 nan 0.000 0.434 639 I N 1.685 122.174 120.570 -0.136 0.000 2.162 639 I HA -0.183 3.984 4.170 -0.005 0.000 0.238 639 I C 2.024 178.048 176.117 -0.155 0.000 1.076 639 I CA 1.271 62.455 61.300 -0.192 0.000 1.353 639 I CB -1.571 36.252 38.000 -0.294 0.000 1.063 639 I HN 0.138 nan 8.210 nan 0.000 0.408 640 H N 1.238 120.297 119.070 -0.019 0.000 2.357 640 H HA -0.190 4.362 4.556 -0.006 0.000 0.296 640 H C 2.069 177.388 175.328 -0.014 0.000 1.108 640 H CA 1.662 57.703 56.048 -0.011 0.000 1.273 640 H CB -0.545 29.210 29.762 -0.012 0.000 1.367 640 H HN 0.448 nan 8.280 nan 0.000 0.498 641 E N 0.437 120.705 120.200 0.113 0.000 2.130 641 E HA -0.172 4.175 4.350 -0.005 0.000 0.196 641 E C 2.275 178.891 176.600 0.026 0.000 0.998 641 E CA 1.461 57.876 56.400 0.025 0.000 0.806 641 E CB -0.107 29.594 29.700 0.001 0.000 0.738 641 E HN 0.297 nan 8.360 nan 0.000 0.459 642 V N 1.088 121.024 119.914 0.037 0.000 2.343 642 V HA -0.229 3.888 4.120 -0.005 0.000 0.247 642 V C 2.091 178.233 176.094 0.080 0.000 1.051 642 V CA 1.588 63.930 62.300 0.070 0.000 1.036 642 V CB -0.360 31.489 31.823 0.044 0.000 0.654 642 V HN 0.264 nan 8.190 nan 0.000 0.451 643 L N -1.599 119.660 121.223 0.059 0.000 2.590 643 L HA 0.258 4.594 4.340 -0.005 0.000 0.227 643 L C 0.565 177.476 176.870 0.069 0.000 1.099 643 L CA 0.134 55.008 54.840 0.057 0.000 0.872 643 L CB 0.005 42.087 42.059 0.037 0.000 1.088 643 L HN 0.266 nan 8.230 nan 0.000 0.479 644 M N -1.344 118.307 119.600 0.085 0.000 2.755 644 M HA 0.534 5.011 4.480 -0.005 0.000 0.298 644 M C -1.070 175.302 176.300 0.121 0.000 1.251 644 M CA -0.421 54.941 55.300 0.103 0.000 0.817 644 M CB 1.605 34.271 32.600 0.109 0.000 1.760 644 M HN -0.173 nan 8.290 nan 0.000 0.473 645 H N -0.607 118.494 119.070 0.051 0.000 3.087 645 H HA 0.636 5.189 4.556 -0.005 0.000 0.348 645 H C -1.272 174.083 175.328 0.045 0.000 1.092 645 H CA -0.390 55.684 56.048 0.045 0.000 1.285 645 H CB 1.733 31.518 29.762 0.038 0.000 1.875 645 H HN 0.807 nan 8.280 nan 0.000 0.512 646 G N 1.855 110.929 108.800 0.455 0.000 2.491 646 G HA2 0.520 4.477 3.960 -0.005 0.000 0.327 646 G HA3 0.520 4.477 3.960 -0.005 0.000 0.327 646 G C -0.794 174.213 174.900 0.179 0.000 1.189 646 G CA -0.453 44.788 45.100 0.235 0.000 0.956 646 G HN 0.399 nan 8.290 nan 0.000 0.491 647 V N 0.034 119.999 119.914 0.086 0.000 2.713 647 V HA 0.463 4.579 4.120 -0.005 0.000 0.307 647 V C 0.968 177.089 176.094 0.044 0.000 1.052 647 V CA -0.611 61.711 62.300 0.037 0.000 0.967 647 V CB 1.737 33.565 31.823 0.009 0.000 1.019 647 V HN 0.934 nan 8.190 nan 0.000 0.459 648 S N 2.539 118.258 115.700 0.033 0.000 2.593 648 S HA -0.008 4.459 4.470 -0.005 0.000 0.300 648 S C 1.171 175.790 174.600 0.032 0.000 1.267 648 S CA -0.081 58.139 58.200 0.034 0.000 1.065 648 S CB 0.755 63.970 63.200 0.025 0.000 0.807 648 S HN 0.573 nan 8.310 nan 0.000 0.499 649 V N 4.396 124.329 119.914 0.031 0.000 2.490 649 V HA -0.094 4.022 4.120 -0.005 0.000 0.250 649 V C 2.343 178.456 176.094 0.032 0.000 1.061 649 V CA 1.950 64.268 62.300 0.029 0.000 1.064 649 V CB -1.320 30.515 31.823 0.019 0.000 0.670 649 V HN 0.781 nan 8.190 nan 0.000 0.461 650 E N 0.935 121.152 120.200 0.028 0.000 2.058 650 E HA -0.171 4.176 4.350 -0.005 0.000 0.194 650 E C 2.217 178.842 176.600 0.041 0.000 0.997 650 E CA 1.368 57.785 56.400 0.029 0.000 0.801 650 E CB -0.377 29.337 29.700 0.022 0.000 0.746 650 E HN 0.600 nan 8.360 nan 0.000 0.450 651 K N -0.114 120.310 120.400 0.040 0.000 2.025 651 K HA -0.094 4.223 4.320 -0.005 0.000 0.207 651 K C 2.398 179.052 176.600 0.090 0.000 1.049 651 K CA 1.779 58.096 56.287 0.050 0.000 0.933 651 K CB -0.451 32.063 32.500 0.023 0.000 0.714 651 K HN 0.340 nan 8.250 nan 0.000 0.438 652 T N -0.664 113.939 114.554 0.081 0.000 2.777 652 T HA -0.180 4.167 4.350 -0.005 0.000 0.266 652 T C 1.929 176.731 174.700 0.170 0.000 1.040 652 T CA 1.291 63.475 62.100 0.140 0.000 1.141 652 T CB -0.183 68.742 68.868 0.096 0.000 0.868 652 T HN 0.308 nan 8.240 nan 0.000 0.444 653 E N 1.189 121.445 120.200 0.094 0.000 2.070 653 E HA -0.248 4.099 4.350 -0.005 0.000 0.197 653 E C 2.587 179.226 176.600 0.065 0.000 1.004 653 E CA 1.035 57.471 56.400 0.059 0.000 0.805 653 E CB -0.183 29.536 29.700 0.032 0.000 0.744 653 E HN 0.473 nan 8.360 nan 0.000 0.451 654 R N -0.441 120.110 120.500 0.084 0.000 2.097 654 R HA -0.202 4.135 4.340 -0.005 0.000 0.236 654 R C 2.391 178.765 176.300 0.124 0.000 1.135 654 R CA 1.870 58.019 56.100 0.083 0.000 0.934 654 R CB -0.601 29.750 30.300 0.086 0.000 0.846 654 R HN 0.273 nan 8.270 nan 0.000 0.431 655 F N 1.270 121.243 119.950 0.039 0.000 2.065 655 F HA -0.275 4.249 4.527 -0.006 0.000 0.298 655 F C 2.055 177.896 175.800 0.070 0.000 1.112 655 F CA 1.615 59.664 58.000 0.081 0.000 1.212 655 F CB -0.673 38.380 39.000 0.089 0.000 0.975 655 F HN 0.044 nan 8.300 nan 0.000 0.476 656 L N 0.580 121.786 121.223 -0.029 0.000 2.079 656 L HA -0.201 4.135 4.340 -0.005 0.000 0.210 656 L C 2.623 179.331 176.870 -0.270 0.000 1.081 656 L CA 1.792 56.500 54.840 -0.220 0.000 0.752 656 L CB -0.830 41.197 42.059 -0.053 0.000 0.896 656 L HN 0.103 nan 8.230 nan 0.000 0.433 657 R N -0.818 119.593 120.500 -0.149 0.000 2.105 657 R HA -0.169 4.168 4.340 -0.005 0.000 0.239 657 R C 2.379 178.581 176.300 -0.164 0.000 1.135 657 R CA 1.561 57.580 56.100 -0.135 0.000 0.967 657 R CB -0.268 29.992 30.300 -0.067 0.000 0.861 657 R HN 0.602 nan 8.270 nan 0.000 0.442 658 S N -1.539 114.070 115.700 -0.153 0.000 2.522 658 S HA 0.016 4.483 4.470 -0.005 0.000 0.227 658 S C 1.623 176.122 174.600 -0.168 0.000 0.986 658 S CA 0.594 58.755 58.200 -0.065 0.000 0.929 658 S CB 0.397 63.651 63.200 0.091 0.000 0.769 658 S HN 0.098 nan 8.310 nan 0.000 0.529 659 V N 1.019 120.661 119.914 -0.452 0.000 2.599 659 V HA 0.228 4.345 4.120 -0.005 0.000 0.237 659 V C 1.176 176.836 176.094 -0.723 0.000 1.081 659 V CA 0.383 62.257 62.300 -0.710 0.000 1.107 659 V CB -0.456 30.768 31.823 -0.997 0.000 0.808 659 V HN 0.406 nan 8.190 nan 0.000 0.486 660 M N 2.254 121.432 119.600 -0.703 0.000 2.226 660 M HA -0.001 4.476 4.480 -0.005 0.000 0.352 660 M C -1.086 174.853 176.300 -0.602 0.000 1.226 660 M CA -1.571 53.269 55.300 -0.766 0.000 0.943 660 M CB -0.361 31.963 32.600 -0.461 0.000 1.805 660 M HN 0.082 nan 8.290 nan 0.000 0.465 661 P HA -0.069 nan 4.420 nan 0.000 0.220 661 P C -0.130 177.033 177.300 -0.227 0.000 1.148 661 P CA 1.244 64.137 63.100 -0.345 0.000 0.803 661 P CB 0.618 32.167 31.700 -0.251 0.000 0.782 662 R N 0.000 120.354 120.500 -0.243 0.000 2.786 662 R HA 0.000 4.337 4.340 -0.005 0.000 0.208 662 R CA 0.000 56.004 56.100 -0.160 0.000 0.921 662 R CB 0.000 30.239 30.300 -0.102 0.000 0.687 662 R HN 0.000 nan 8.270 nan 0.000 0.535