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 1uvi_1_C 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 VLADPNKLQY KWTEADVSAN IHEVLMHGVS DATA SEQUENCE VEKTERFLRS VMPR 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 0.000 177.277 177.300 -0.039 0.000 1.155 1 P CA 0.000 63.079 63.100 -0.035 0.000 0.800 1 P CB 0.000 31.677 31.700 -0.038 0.000 0.726 2 R N 2.230 122.705 120.500 -0.041 0.000 1.282 2 R HA -0.136 4.198 4.340 -0.011 0.000 0.415 2 R C -0.577 175.686 176.300 -0.061 0.000 1.333 2 R CA 1.181 57.256 56.100 -0.042 0.000 1.160 2 R CB -0.380 29.904 30.300 -0.027 0.000 3.395 2 R HN 0.567 nan 8.270 nan 0.000 0.494 3 R N 3.998 124.454 120.500 -0.073 0.000 2.582 3 R HA 0.686 5.020 4.340 -0.011 0.000 0.271 3 R C 0.087 176.334 176.300 -0.088 0.000 1.078 3 R CA -0.043 55.995 56.100 -0.103 0.000 1.127 3 R CB 0.973 31.202 30.300 -0.119 0.000 1.038 3 R HN 0.690 nan 8.270 nan 0.000 0.500 4 A N 3.517 126.276 122.820 -0.102 0.000 2.371 4 A HA 0.396 4.709 4.320 -0.011 0.000 0.257 4 A C -2.088 175.443 177.584 -0.087 0.000 1.089 4 A CA -1.722 50.274 52.037 -0.067 0.000 0.794 4 A CB -0.102 18.868 19.000 -0.050 0.000 1.029 4 A HN 0.678 nan 8.150 nan 0.000 0.488 5 P HA 0.410 nan 4.420 nan 0.000 0.271 5 P C -0.697 176.410 177.300 -0.321 0.000 1.216 5 P CA 0.212 63.181 63.100 -0.219 0.000 0.776 5 P CB 1.084 32.734 31.700 -0.085 0.000 0.881 6 A N 2.976 125.484 122.820 -0.519 0.000 2.393 6 A HA 0.777 5.091 4.320 -0.011 0.000 0.306 6 A C -1.386 175.825 177.584 -0.621 0.000 1.050 6 A CA -0.454 51.410 52.037 -0.288 0.000 0.724 6 A CB 0.693 19.796 19.000 0.172 0.000 1.248 6 A HN 0.356 nan 8.150 nan 0.000 0.424 7 F N 2.798 122.844 119.950 0.160 0.000 2.529 7 F HA 0.577 5.101 4.527 -0.006 0.000 0.320 7 F C -2.146 173.749 175.800 0.158 0.000 1.118 7 F CA -2.298 55.785 58.000 0.139 0.000 0.915 7 F CB 2.257 41.339 39.000 0.138 0.000 1.161 7 F HN 0.348 nan 8.300 nan 0.000 0.445 8 P HA 0.036 nan 4.420 nan 0.000 0.274 8 P C 0.826 178.308 177.300 0.303 0.000 1.237 8 P CA -0.366 62.869 63.100 0.225 0.000 0.793 8 P CB 1.460 33.244 31.700 0.139 0.000 0.977 9 L N 2.906 124.325 121.223 0.327 0.000 2.089 9 L HA -0.237 4.096 4.340 -0.011 0.000 0.213 9 L C 2.365 179.379 176.870 0.239 0.000 1.079 9 L CA 2.770 57.830 54.840 0.366 0.000 0.758 9 L CB -1.675 40.574 42.059 0.317 0.000 0.891 9 L HN 0.497 nan 8.230 nan 0.000 0.433 10 S N -1.934 113.871 115.700 0.174 0.000 2.469 10 S HA -0.138 4.326 4.470 -0.011 0.000 0.238 10 S C 1.044 175.724 174.600 0.133 0.000 0.998 10 S CA 0.411 58.687 58.200 0.126 0.000 0.957 10 S CB -0.866 62.390 63.200 0.093 0.000 0.764 10 S HN 0.623 nan 8.310 nan 0.000 0.514 11 D N 0.824 121.328 120.400 0.173 0.000 2.382 11 D HA 0.083 4.717 4.640 -0.011 0.000 0.245 11 D C 1.109 177.471 176.300 0.104 0.000 1.120 11 D CA -0.233 53.860 54.000 0.155 0.000 0.890 11 D CB 0.923 41.866 40.800 0.240 0.000 1.201 11 D HN 0.133 nan 8.370 nan 0.000 0.433 12 I N 4.026 124.630 120.570 0.057 0.000 2.423 12 I HA -0.230 3.934 4.170 -0.011 0.000 0.254 12 I C 2.030 178.136 176.117 -0.019 0.000 1.151 12 I CA 1.550 62.867 61.300 0.029 0.000 1.421 12 I CB -0.028 37.982 38.000 0.015 0.000 1.079 12 I HN 0.387 nan 8.210 nan 0.000 0.431 13 K N 0.160 120.493 120.400 -0.113 0.000 2.148 13 K HA -0.060 4.254 4.320 -0.011 0.000 0.204 13 K C 2.086 178.617 176.600 -0.115 0.000 1.050 13 K CA 1.261 57.406 56.287 -0.237 0.000 0.942 13 K CB -0.237 31.867 32.500 -0.660 0.000 0.724 13 K HN 0.487 nan 8.250 nan 0.000 0.446 14 A N 0.728 123.573 122.820 0.042 0.000 1.903 14 A HA -0.097 4.217 4.320 -0.011 0.000 0.213 14 A C 1.997 179.706 177.584 0.208 0.000 1.185 14 A CA 0.702 52.856 52.037 0.196 0.000 0.628 14 A CB -0.171 19.075 19.000 0.410 0.000 0.830 14 A HN 0.116 nan 8.150 nan 0.000 0.446 15 Q N -0.506 119.411 119.800 0.194 0.000 2.152 15 Q HA -0.153 4.181 4.340 -0.011 0.000 0.206 15 Q C 1.976 178.073 176.000 0.162 0.000 0.985 15 Q CA 1.305 57.237 55.803 0.215 0.000 0.863 15 Q CB -0.440 28.378 28.738 0.132 0.000 0.904 15 Q HN 0.578 nan 8.270 nan 0.000 0.422 16 M N 0.039 119.680 119.600 0.068 0.000 2.539 16 M HA -0.078 4.396 4.480 -0.011 0.000 0.261 16 M C 1.813 178.124 176.300 0.018 0.000 1.069 16 M CA 0.838 56.178 55.300 0.066 0.000 1.081 16 M CB -0.474 32.172 32.600 0.077 0.000 1.412 16 M HN 0.167 nan 8.290 nan 0.000 0.482 17 L N -1.435 119.651 121.223 -0.228 0.000 2.554 17 L HA 0.038 4.372 4.340 -0.011 0.000 0.226 17 L C -0.212 176.178 176.870 -0.800 0.000 1.137 17 L CA 0.167 54.653 54.840 -0.591 0.000 0.863 17 L CB -0.213 41.254 42.059 -0.986 0.000 0.985 17 L HN 0.034 nan 8.230 nan 0.000 0.451 18 F N 0.026 119.997 119.950 0.034 0.000 2.477 18 F HA 0.594 5.114 4.527 -0.011 0.000 0.335 18 F C 0.625 176.442 175.800 0.028 0.000 1.130 18 F CA -1.038 56.985 58.000 0.038 0.000 0.948 18 F CB 0.828 39.796 39.000 -0.054 0.000 1.154 18 F HN -0.224 nan 8.300 nan 0.000 0.439 19 A N 1.740 124.663 122.820 0.172 0.000 2.366 19 A HA 0.133 4.447 4.320 -0.011 0.000 0.250 19 A C 0.598 178.275 177.584 0.154 0.000 1.099 19 A CA -0.405 51.714 52.037 0.136 0.000 0.794 19 A CB 0.124 19.245 19.000 0.202 0.000 1.056 19 A HN 0.783 nan 8.150 nan 0.000 0.499 20 N N 0.508 119.284 118.700 0.127 0.000 3.115 20 N HA 0.102 4.836 4.740 -0.011 0.000 0.305 20 N C -0.735 174.825 175.510 0.084 0.000 1.305 20 N CA 0.051 53.156 53.050 0.091 0.000 1.154 20 N CB -0.887 37.641 38.487 0.068 0.000 1.454 20 N HN 0.707 nan 8.380 nan 0.000 0.551 21 N N -1.315 117.443 118.700 0.096 0.000 2.357 21 N HA 0.269 5.003 4.740 -0.011 0.000 0.284 21 N C 0.639 176.175 175.510 0.045 0.000 1.236 21 N CA -0.813 52.281 53.050 0.073 0.000 0.774 21 N CB 0.812 39.358 38.487 0.098 0.000 1.534 21 N HN -0.260 nan 8.380 nan 0.000 0.478 22 I N 0.208 120.791 120.570 0.021 0.000 2.208 22 I HA -0.207 3.957 4.170 -0.011 0.000 0.245 22 I C 1.821 177.921 176.117 -0.028 0.000 1.097 22 I CA 1.287 62.582 61.300 -0.007 0.000 1.363 22 I CB -0.962 37.033 38.000 -0.007 0.000 1.051 22 I HN 0.625 nan 8.210 nan 0.000 0.413 23 K N 1.218 121.617 120.400 -0.002 0.000 1.991 23 K HA -0.119 4.194 4.320 -0.011 0.000 0.212 23 K C 2.244 178.776 176.600 -0.112 0.000 1.049 23 K CA 1.674 57.950 56.287 -0.018 0.000 0.932 23 K CB -0.648 31.889 32.500 0.063 0.000 0.717 23 K HN 0.309 nan 8.250 nan 0.000 0.441 24 A N 1.950 124.765 122.820 -0.009 0.000 1.883 24 A HA -0.208 4.105 4.320 -0.011 0.000 0.217 24 A C 2.244 179.683 177.584 -0.243 0.000 1.186 24 A CA 1.470 53.466 52.037 -0.069 0.000 0.624 24 A CB -0.407 18.767 19.000 0.291 0.000 0.822 24 A HN 0.271 nan 8.150 nan 0.000 0.444 25 Q N -0.398 119.324 119.800 -0.131 0.000 2.084 25 Q HA -0.218 4.115 4.340 -0.011 0.000 0.202 25 Q C 2.159 177.993 176.000 -0.277 0.000 0.978 25 Q CA 1.896 57.583 55.803 -0.193 0.000 0.844 25 Q CB -0.475 28.210 28.738 -0.088 0.000 0.898 25 Q HN 0.833 nan 8.270 nan 0.000 0.426 26 Q N -0.316 119.354 119.800 -0.217 0.000 2.167 26 Q HA -0.047 4.286 4.340 -0.011 0.000 0.202 26 Q C 1.941 177.798 176.000 -0.239 0.000 0.970 26 Q CA 1.199 56.892 55.803 -0.184 0.000 0.855 26 Q CB -0.078 28.589 28.738 -0.118 0.000 0.911 26 Q HN 0.376 nan 8.270 nan 0.000 0.438 27 A N 0.679 123.243 122.820 -0.427 0.000 1.969 27 A HA -0.170 4.144 4.320 -0.011 0.000 0.218 27 A C 2.196 179.577 177.584 -0.339 0.000 1.169 27 A CA 1.569 53.316 52.037 -0.483 0.000 0.635 27 A CB -0.513 17.711 19.000 -1.294 0.000 0.810 27 A HN 0.443 nan 8.150 nan 0.000 0.445 28 S N 0.026 115.264 115.700 -0.769 0.000 2.383 28 S HA -0.114 4.350 4.470 -0.011 0.000 0.227 28 S C 1.636 176.113 174.600 -0.205 0.000 1.026 28 S CA 1.432 59.002 58.200 -1.049 0.000 0.981 28 S CB -0.264 61.751 63.200 -1.974 0.000 0.818 28 S HN 0.618 nan 8.310 nan 0.000 0.472 29 K N 0.515 120.806 120.400 -0.182 0.000 2.361 29 K HA 0.236 4.549 4.320 -0.011 0.000 0.194 29 K C 0.733 177.349 176.600 0.026 0.000 1.032 29 K CA -0.351 55.872 56.287 -0.108 0.000 1.048 29 K CB 0.091 32.493 32.500 -0.164 0.000 0.842 29 K HN 0.278 nan 8.250 nan 0.000 0.526 30 R N 2.763 123.325 120.500 0.104 0.000 2.481 30 R HA -0.077 4.257 4.340 -0.011 0.000 0.291 30 R C -0.156 176.314 176.300 0.283 0.000 0.934 30 R CA 0.283 56.470 56.100 0.144 0.000 1.116 30 R CB 0.241 30.620 30.300 0.131 0.000 0.895 30 R HN 0.134 nan 8.270 nan 0.000 0.410 31 S N 4.224 120.039 115.700 0.193 0.000 2.693 31 S HA 0.259 4.722 4.470 -0.011 0.000 0.276 31 S C -0.037 174.696 174.600 0.221 0.000 1.192 31 S CA -0.970 57.386 58.200 0.260 0.000 0.994 31 S CB 0.727 64.037 63.200 0.184 0.000 1.012 31 S HN 0.517 nan 8.310 nan 0.000 0.550 32 F N 1.398 121.414 119.950 0.111 0.000 2.635 32 F HA 0.354 4.874 4.527 -0.011 0.000 0.379 32 F C 0.224 176.064 175.800 0.066 0.000 1.094 32 F CA 0.782 58.821 58.000 0.065 0.000 1.300 32 F CB 0.208 39.240 39.000 0.053 0.000 1.035 32 F HN 0.637 nan 8.300 nan 0.000 0.581 33 K N 4.500 124.485 120.400 -0.693 0.000 2.469 33 K HA 0.440 4.754 4.320 -0.011 0.000 0.254 33 K C -1.509 174.695 176.600 -0.659 0.000 0.939 33 K CA -0.740 55.277 56.287 -0.450 0.000 0.812 33 K CB 1.835 34.201 32.500 -0.224 0.000 1.301 33 K HN 0.726 nan 8.250 nan 0.000 0.433 34 E N 0.832 120.800 120.200 -0.388 0.000 2.407 34 E HA 0.789 5.133 4.350 -0.011 0.000 0.279 34 E C -0.891 175.401 176.600 -0.513 0.000 1.012 34 E CA -1.461 54.684 56.400 -0.426 0.000 0.800 34 E CB 1.866 31.451 29.700 -0.191 0.000 1.276 34 E HN 0.619 nan 8.360 nan 0.000 0.452 35 G N -0.131 108.085 108.800 -0.972 0.000 2.384 35 G HA2 0.489 4.442 3.960 -0.011 0.000 0.300 35 G HA3 0.489 4.442 3.960 -0.011 0.000 0.300 35 G C -1.079 173.248 174.900 -0.956 0.000 1.582 35 G CA -0.451 44.065 45.100 -0.973 0.000 0.875 35 G HN 0.777 nan 8.290 nan 0.000 0.628 36 A N 0.449 122.953 122.820 -0.526 0.000 2.531 36 A HA 0.520 4.833 4.320 -0.011 0.000 0.236 36 A C 0.970 178.470 177.584 -0.141 0.000 1.062 36 A CA 0.540 52.489 52.037 -0.148 0.000 0.760 36 A CB -0.337 18.737 19.000 0.123 0.000 0.995 36 A HN 1.806 nan 8.150 nan 0.000 0.501 37 I N -0.707 119.815 120.570 -0.081 0.000 2.612 37 I HA 0.438 4.602 4.170 -0.011 0.000 0.295 37 I C 0.376 176.472 176.117 -0.036 0.000 1.011 37 I CA -0.605 60.657 61.300 -0.063 0.000 1.326 37 I CB 1.145 39.119 38.000 -0.044 0.000 1.427 37 I HN 0.733 nan 8.210 nan 0.000 0.537 38 E N 3.452 123.626 120.200 -0.043 0.000 1.893 38 E HA 0.127 4.471 4.350 -0.011 0.000 0.269 38 E C 0.360 176.907 176.600 -0.088 0.000 1.129 38 E CA -0.235 56.139 56.400 -0.044 0.000 0.904 38 E CB 0.544 30.227 29.700 -0.028 0.000 1.077 38 E HN 0.833 nan 8.360 nan 0.000 0.407 39 T N 3.676 118.150 114.554 -0.134 0.000 2.653 39 T HA -0.179 4.165 4.350 -0.011 0.000 0.268 39 T C -0.194 174.163 174.700 -0.572 0.000 1.035 39 T CA 1.577 63.499 62.100 -0.297 0.000 1.154 39 T CB -0.129 68.551 68.868 -0.313 0.000 0.862 39 T HN 0.382 nan 8.240 nan 0.000 0.441 40 Y N -0.172 120.131 120.300 0.004 0.000 2.615 40 Y HA 0.380 4.924 4.550 -0.010 0.000 0.341 40 Y C -0.248 175.665 175.900 0.021 0.000 1.089 40 Y CA -1.896 56.227 58.100 0.037 0.000 1.049 40 Y CB 1.115 39.651 38.460 0.126 0.000 1.296 40 Y HN -0.017 nan 8.280 nan 0.000 0.470 41 E N 0.768 121.081 120.200 0.188 0.000 2.652 41 E HA 0.218 4.562 4.350 -0.011 0.000 0.255 41 E C 0.844 177.503 176.600 0.098 0.000 0.952 41 E CA 1.413 57.871 56.400 0.097 0.000 0.947 41 E CB 0.003 29.743 29.700 0.066 0.000 0.912 41 E HN 0.908 nan 8.360 nan 0.000 0.489 42 G N 3.190 112.024 108.800 0.056 0.000 2.189 42 G HA2 -0.301 3.652 3.960 -0.011 0.000 0.267 42 G HA3 -0.301 3.652 3.960 -0.011 0.000 0.267 42 G C 0.006 174.929 174.900 0.040 0.000 0.975 42 G CA 0.007 45.134 45.100 0.045 0.000 0.644 42 G HN 0.477 nan 8.290 nan 0.000 0.537 43 L N 0.776 122.021 121.223 0.038 0.000 2.343 43 L HA 0.604 4.938 4.340 -0.011 0.000 0.278 43 L C -0.476 176.364 176.870 -0.051 0.000 0.996 43 L CA -1.052 53.782 54.840 -0.010 0.000 0.831 43 L CB 1.146 43.186 42.059 -0.032 0.000 1.232 43 L HN -0.019 nan 8.230 nan 0.000 0.413 44 L N 2.854 124.065 121.223 -0.020 0.000 2.350 44 L HA 0.241 4.574 4.340 -0.011 0.000 0.275 44 L C 1.602 178.498 176.870 0.043 0.000 1.099 44 L CA 0.415 55.260 54.840 0.009 0.000 0.808 44 L CB 1.760 43.846 42.059 0.045 0.000 1.149 44 L HN 0.736 nan 8.230 nan 0.000 0.442 45 S N 1.239 117.002 115.700 0.105 0.000 2.465 45 S HA -0.106 4.358 4.470 -0.011 0.000 0.241 45 S C 1.055 175.896 174.600 0.402 0.000 1.000 45 S CA 0.914 59.297 58.200 0.305 0.000 0.964 45 S CB -0.492 62.882 63.200 0.290 0.000 0.763 45 S HN 0.574 nan 8.310 nan 0.000 0.512 46 V N -1.381 118.687 119.914 0.256 0.000 3.376 46 V HA 0.300 4.414 4.120 -0.011 0.000 0.313 46 V C 0.275 176.433 176.094 0.105 0.000 1.393 46 V CA -0.512 61.892 62.300 0.174 0.000 1.125 46 V CB -0.640 31.273 31.823 0.149 0.000 1.037 46 V HN 0.296 nan 8.190 nan 0.000 0.440 47 D N 2.423 122.914 120.400 0.151 0.000 2.487 47 D HA 0.068 4.701 4.640 -0.011 0.000 0.243 47 D C -1.347 174.971 176.300 0.031 0.000 1.154 47 D CA -0.943 53.110 54.000 0.088 0.000 0.876 47 D CB 2.032 42.903 40.800 0.119 0.000 1.161 47 D HN 0.162 nan 8.370 nan 0.000 0.478 48 P HA -0.170 nan 4.420 nan 0.000 0.217 48 P C 1.011 178.189 177.300 -0.203 0.000 1.151 48 P CA 1.472 64.489 63.100 -0.139 0.000 0.849 48 P CB 0.244 31.864 31.700 -0.133 0.000 0.787 49 R N -2.093 118.242 120.500 -0.274 0.000 2.075 49 R HA -0.075 4.258 4.340 -0.011 0.000 0.232 49 R C 2.185 178.198 176.300 -0.478 0.000 1.126 49 R CA 1.027 56.783 56.100 -0.574 0.000 0.963 49 R CB -1.406 28.241 30.300 -1.089 0.000 0.858 49 R HN 0.154 nan 8.270 nan 0.000 0.435 50 F N 1.368 121.135 119.950 -0.304 0.000 2.102 50 F HA -0.095 4.426 4.527 -0.011 0.000 0.298 50 F C 1.693 177.529 175.800 0.060 0.000 1.105 50 F CA 1.374 59.393 58.000 0.032 0.000 1.239 50 F CB -0.275 38.840 39.000 0.192 0.000 0.991 50 F HN -0.107 nan 8.300 nan 0.000 0.474 51 L N -1.150 120.010 121.223 -0.104 0.000 2.083 51 L HA -0.213 4.121 4.340 -0.011 0.000 0.209 51 L C 2.699 179.385 176.870 -0.306 0.000 1.083 51 L CA 1.453 56.067 54.840 -0.376 0.000 0.752 51 L CB -1.088 40.594 42.059 -0.627 0.000 0.899 51 L HN 0.180 nan 8.230 nan 0.000 0.433 52 S N 0.016 115.575 115.700 -0.234 0.000 2.355 52 S HA -0.218 4.245 4.470 -0.011 0.000 0.222 52 S C 1.983 176.519 174.600 -0.107 0.000 1.031 52 S CA 1.216 59.313 58.200 -0.171 0.000 0.993 52 S CB -0.341 62.741 63.200 -0.196 0.000 0.859 52 S HN 0.427 nan 8.310 nan 0.000 0.453 53 F N 2.169 121.957 119.950 -0.271 0.000 2.095 53 F HA -0.086 4.434 4.527 -0.011 0.000 0.298 53 F C 2.083 177.772 175.800 -0.185 0.000 1.104 53 F CA 1.960 59.824 58.000 -0.227 0.000 1.232 53 F CB -0.498 38.360 39.000 -0.237 0.000 0.987 53 F HN 0.132 nan 8.300 nan 0.000 0.475 54 K N 0.009 120.182 120.400 -0.379 0.000 2.097 54 K HA -0.232 4.082 4.320 -0.011 0.000 0.206 54 K C 1.956 178.473 176.600 -0.138 0.000 1.049 54 K CA 1.507 57.570 56.287 -0.373 0.000 0.933 54 K CB -0.485 31.962 32.500 -0.088 0.000 0.717 54 K HN 0.348 nan 8.250 nan 0.000 0.442 55 N N 1.444 120.184 118.700 0.066 0.000 2.043 55 N HA -0.237 4.497 4.740 -0.011 0.000 0.193 55 N C 1.740 177.258 175.510 0.013 0.000 1.037 55 N CA 1.811 54.921 53.050 0.101 0.000 0.851 55 N CB -0.032 38.544 38.487 0.148 0.000 1.027 55 N HN 0.215 nan 8.380 nan 0.000 0.422 56 E N -0.719 119.449 120.200 -0.054 0.000 2.051 56 E HA -0.192 4.152 4.350 -0.011 0.000 0.192 56 E C 1.968 178.529 176.600 -0.064 0.000 0.991 56 E CA 1.038 57.415 56.400 -0.039 0.000 0.799 56 E CB -0.248 29.415 29.700 -0.062 0.000 0.748 56 E HN 0.369 nan 8.360 nan 0.000 0.449 57 L N 1.079 122.133 121.223 -0.282 0.000 2.017 57 L HA -0.194 4.140 4.340 -0.011 0.000 0.208 57 L C 2.536 179.352 176.870 -0.089 0.000 1.073 57 L CA 2.488 57.153 54.840 -0.291 0.000 0.745 57 L CB -0.804 40.825 42.059 -0.718 0.000 0.894 57 L HN 0.262 nan 8.230 nan 0.000 0.432 58 S N -0.764 114.907 115.700 -0.049 0.000 2.368 58 S HA -0.240 4.224 4.470 -0.011 0.000 0.225 58 S C 2.144 176.916 174.600 0.286 0.000 1.030 58 S CA 1.234 59.514 58.200 0.132 0.000 0.999 58 S CB -0.655 62.679 63.200 0.223 0.000 0.844 58 S HN 0.519 nan 8.310 nan 0.000 0.459 59 R N -0.491 120.222 120.500 0.355 0.000 2.075 59 R HA 0.006 4.340 4.340 -0.011 0.000 0.232 59 R C 2.348 178.814 176.300 0.276 0.000 1.126 59 R CA 1.533 57.893 56.100 0.435 0.000 0.963 59 R CB -0.640 29.860 30.300 0.333 0.000 0.858 59 R HN 0.564 nan 8.270 nan 0.000 0.435 60 Y N 1.648 122.010 120.300 0.104 0.000 2.070 60 Y HA -0.224 4.320 4.550 -0.011 0.000 0.280 60 Y C 1.981 177.937 175.900 0.093 0.000 1.148 60 Y CA 1.629 59.788 58.100 0.099 0.000 1.125 60 Y CB -0.297 38.156 38.460 -0.011 0.000 0.975 60 Y HN -0.059 nan 8.280 nan 0.000 0.492 61 L N -0.965 120.282 121.223 0.041 0.000 2.042 61 L HA -0.267 4.067 4.340 -0.011 0.000 0.210 61 L C 2.330 179.138 176.870 -0.104 0.000 1.076 61 L CA 1.921 56.638 54.840 -0.205 0.000 0.749 61 L CB -1.083 40.404 42.059 -0.954 0.000 0.893 61 L HN 0.256 nan 8.230 nan 0.000 0.432 62 T N -1.072 113.496 114.554 0.022 0.000 2.708 62 T HA -0.236 4.108 4.350 -0.011 0.000 0.266 62 T C 1.526 176.248 174.700 0.037 0.000 1.037 62 T CA 1.860 64.026 62.100 0.110 0.000 1.146 62 T CB -0.270 68.457 68.868 -0.234 0.000 0.865 62 T HN 0.351 nan 8.240 nan 0.000 0.435 63 D N 0.131 120.520 120.400 -0.019 0.000 2.117 63 D HA -0.107 4.526 4.640 -0.011 0.000 0.198 63 D C 1.805 177.877 176.300 -0.379 0.000 0.982 63 D CA 1.189 55.101 54.000 -0.147 0.000 0.828 63 D CB -0.087 40.630 40.800 -0.139 0.000 0.967 63 D HN 0.484 nan 8.370 nan 0.000 0.464 64 H N -2.175 116.593 119.070 -0.503 0.000 2.544 64 H HA 0.226 4.776 4.556 -0.011 0.000 0.269 64 H C -0.114 174.625 175.328 -0.981 0.000 0.970 64 H CA 0.575 56.120 56.048 -0.840 0.000 1.219 64 H CB 0.243 29.216 29.762 -1.314 0.000 1.421 64 H HN 0.083 nan 8.280 nan 0.000 0.555 65 F N 1.651 121.607 119.950 0.011 0.000 2.584 65 F HA 0.280 4.800 4.527 -0.010 0.000 0.328 65 F C -2.409 173.473 175.800 0.137 0.000 1.407 65 F CA -2.925 55.128 58.000 0.088 0.000 1.145 65 F CB 0.667 39.748 39.000 0.134 0.000 1.440 65 F HN -0.098 nan 8.300 nan 0.000 0.580 66 P HA 0.098 nan 4.420 nan 0.000 0.268 66 P C 0.082 177.434 177.300 0.085 0.000 1.208 66 P CA -0.014 63.145 63.100 0.098 0.000 0.777 66 P CB 1.034 32.757 31.700 0.038 0.000 0.875 67 A N 3.155 125.994 122.820 0.032 0.000 2.520 67 A HA 0.007 4.320 4.320 -0.011 0.000 0.235 67 A C 0.383 177.922 177.584 -0.075 0.000 1.065 67 A CA 0.149 52.170 52.037 -0.026 0.000 0.764 67 A CB -0.801 18.184 19.000 -0.024 0.000 1.002 67 A HN 0.655 nan 8.150 nan 0.000 0.502 68 N N 0.808 119.378 118.700 -0.218 0.000 2.804 68 N HA 0.432 5.166 4.740 -0.011 0.000 0.251 68 N C -1.595 173.557 175.510 -0.596 0.000 1.250 68 N CA -0.273 52.422 53.050 -0.591 0.000 0.820 68 N CB 1.397 39.328 38.487 -0.927 0.000 1.156 68 N HN 0.353 nan 8.380 nan 0.000 0.512 69 V N 1.427 121.253 119.914 -0.146 0.000 2.531 69 V HA 0.217 4.331 4.120 -0.011 0.000 0.301 69 V C -0.212 176.020 176.094 0.231 0.000 1.034 69 V CA -0.954 61.346 62.300 0.001 0.000 0.865 69 V CB 1.804 33.498 31.823 -0.214 0.000 0.995 69 V HN 0.515 nan 8.190 nan 0.000 0.424 70 D N 2.588 123.176 120.400 0.314 0.000 2.433 70 D HA 0.188 4.821 4.640 -0.011 0.000 0.255 70 D C 0.878 177.275 176.300 0.161 0.000 1.226 70 D CA -0.603 53.540 54.000 0.238 0.000 1.015 70 D CB 0.785 41.675 40.800 0.151 0.000 1.091 70 D HN 0.496 nan 8.370 nan 0.000 0.527 71 E N -1.146 119.110 120.200 0.093 0.000 2.273 71 E HA -0.198 4.146 4.350 -0.011 0.000 0.198 71 E C 0.718 177.164 176.600 -0.258 0.000 1.002 71 E CA 1.260 57.632 56.400 -0.047 0.000 0.828 71 E CB -0.628 28.973 29.700 -0.165 0.000 0.747 71 E HN 0.501 nan 8.360 nan 0.000 0.491 72 Y N -0.475 119.738 120.300 -0.144 0.000 2.468 72 Y HA 0.307 4.850 4.550 -0.011 0.000 0.268 72 Y C 1.572 177.430 175.900 -0.069 0.000 1.177 72 Y CA 0.161 58.055 58.100 -0.343 0.000 1.265 72 Y CB 0.725 38.892 38.460 -0.487 0.000 1.103 72 Y HN 0.138 nan 8.280 nan 0.000 0.522 73 G N 0.891 109.823 108.800 0.220 0.000 2.148 73 G HA2 -0.328 3.625 3.960 -0.011 0.000 0.254 73 G HA3 -0.328 3.625 3.960 -0.011 0.000 0.254 73 G C 0.127 175.145 174.900 0.198 0.000 0.981 73 G CA -0.245 45.017 45.100 0.269 0.000 0.670 73 G HN 0.321 nan 8.290 nan 0.000 0.528 74 R N -0.173 120.445 120.500 0.195 0.000 2.357 74 R HA 0.598 4.932 4.340 -0.011 0.000 0.296 74 R C 0.622 177.072 176.300 0.251 0.000 1.052 74 R CA -0.037 56.197 56.100 0.222 0.000 0.988 74 R CB 1.993 32.265 30.300 -0.047 0.000 1.025 74 R HN 0.630 nan 8.270 nan 0.000 0.469 75 V N 3.369 123.437 119.914 0.256 0.000 2.644 75 V HA 0.659 4.773 4.120 -0.011 0.000 0.295 75 V C -0.906 175.333 176.094 0.242 0.000 1.053 75 V CA -0.220 62.155 62.300 0.126 0.000 0.987 75 V CB 0.721 32.556 31.823 0.019 0.000 1.006 75 V HN 0.823 nan 8.190 nan 0.000 0.472 76 Y N 2.734 123.101 120.300 0.112 0.000 2.896 76 Y HA 0.930 5.473 4.550 -0.011 0.000 0.317 76 Y C 0.799 176.753 175.900 0.089 0.000 1.444 76 Y CA -0.430 57.736 58.100 0.110 0.000 1.084 76 Y CB 0.488 39.011 38.460 0.106 0.000 1.382 76 Y HN 1.534 nan 8.280 nan 0.000 0.471 77 G N 1.838 110.801 108.800 0.270 0.000 2.629 77 G HA2 -0.468 3.485 3.960 -0.011 0.000 0.313 77 G HA3 -0.468 3.485 3.960 -0.011 0.000 0.313 77 G C 0.636 175.570 174.900 0.058 0.000 1.217 77 G CA 1.154 46.348 45.100 0.157 0.000 0.994 77 G HN 1.586 nan 8.290 nan 0.000 0.549 78 N N 2.406 121.121 118.700 0.026 0.000 2.520 78 N HA 0.298 5.031 4.740 -0.011 0.000 0.185 78 N C 1.893 177.419 175.510 0.027 0.000 1.068 78 N CA 1.940 55.029 53.050 0.065 0.000 0.911 78 N CB -0.660 37.917 38.487 0.150 0.000 0.961 78 N HN 2.431 nan 8.380 nan 0.000 0.446 79 G N -1.161 107.624 108.800 -0.024 0.000 2.160 79 G HA2 -0.239 3.714 3.960 -0.011 0.000 0.251 79 G HA3 -0.239 3.714 3.960 -0.011 0.000 0.251 79 G C -0.456 174.441 174.900 -0.005 0.000 1.008 79 G CA 0.397 45.492 45.100 -0.009 0.000 0.724 79 G HN 0.357 nan 8.290 nan 0.000 0.514 80 V N 0.383 120.282 119.914 -0.026 0.000 2.427 80 V HA 0.569 4.682 4.120 -0.011 0.000 0.286 80 V C 1.307 177.346 176.094 -0.092 0.000 1.034 80 V CA 0.036 62.314 62.300 -0.036 0.000 0.893 80 V CB 1.578 33.434 31.823 0.055 0.000 0.982 80 V HN 0.561 nan 8.190 nan 0.000 0.452 81 R N 1.913 122.344 120.500 -0.115 0.000 2.437 81 R HA 0.415 4.749 4.340 -0.011 0.000 0.257 81 R C 0.430 176.679 176.300 -0.085 0.000 0.927 81 R CA 0.002 56.047 56.100 -0.092 0.000 1.078 81 R CB 0.874 31.140 30.300 -0.056 0.000 1.161 81 R HN 0.617 nan 8.270 nan 0.000 0.529 82 T N 0.349 114.798 114.554 -0.175 0.000 2.700 82 T HA 0.150 4.493 4.350 -0.011 0.000 0.307 82 T C -1.593 172.897 174.700 -0.350 0.000 1.580 82 T CA -0.777 61.220 62.100 -0.172 0.000 0.992 82 T CB 0.959 69.755 68.868 -0.120 0.000 1.577 82 T HN 0.391 nan 8.240 nan 0.000 0.496 83 N N 0.233 118.768 118.700 -0.276 0.000 2.288 83 N HA 0.260 4.993 4.740 -0.011 0.000 0.237 83 N C -0.019 175.151 175.510 -0.568 0.000 1.311 83 N CA 0.031 52.846 53.050 -0.393 0.000 0.909 83 N CB -0.071 38.156 38.487 -0.435 0.000 1.167 83 N HN 0.485 nan 8.380 nan 0.000 0.476 84 F N -1.878 117.792 119.950 -0.467 0.000 2.647 84 F HA 0.384 4.904 4.527 -0.011 0.000 0.300 84 F C 0.590 176.299 175.800 -0.151 0.000 1.106 84 F CA -0.557 57.303 58.000 -0.232 0.000 1.313 84 F CB -0.428 38.493 39.000 -0.132 0.000 1.007 84 F HN 0.372 nan 8.300 nan 0.000 0.536 85 F N -0.276 119.761 119.950 0.145 0.000 2.604 85 F HA 0.005 4.526 4.527 -0.011 0.000 0.298 85 F C 2.393 178.151 175.800 -0.070 0.000 1.131 85 F CA 0.349 58.360 58.000 0.019 0.000 1.457 85 F CB -0.505 38.550 39.000 0.091 0.000 1.095 85 F HN 0.140 nan 8.300 nan 0.000 0.574 86 G N 1.304 110.197 108.800 0.155 0.000 2.527 86 G HA2 -0.267 3.687 3.960 -0.011 0.000 0.219 86 G HA3 -0.267 3.687 3.960 -0.011 0.000 0.219 86 G C 1.551 176.558 174.900 0.178 0.000 1.117 86 G CA 0.843 46.042 45.100 0.164 0.000 0.759 86 G HN 0.515 nan 8.290 nan 0.000 0.556 87 M N -0.853 118.815 119.600 0.114 0.000 2.618 87 M HA 0.307 4.781 4.480 -0.011 0.000 0.240 87 M C 1.243 177.531 176.300 -0.021 0.000 1.123 87 M CA 0.329 55.711 55.300 0.137 0.000 1.060 87 M CB 0.162 32.857 32.600 0.159 0.000 1.535 87 M HN -0.117 nan 8.290 nan 0.000 0.507 88 R N 1.638 121.932 120.500 -0.342 0.000 4.902 88 R HA 0.176 4.510 4.340 -0.011 0.000 0.201 88 R C -1.072 174.859 176.300 -0.615 0.000 2.020 88 R CA 0.106 55.699 56.100 -0.845 0.000 1.674 88 R CB -0.805 28.772 30.300 -1.206 0.000 1.349 88 R HN 0.535 nan 8.270 nan 0.000 0.813 89 H N -0.399 118.742 119.070 0.119 0.000 2.679 89 H HA 0.297 4.847 4.556 -0.010 0.000 0.367 89 H C 0.134 175.667 175.328 0.341 0.000 1.162 89 H CA -0.872 55.321 56.048 0.241 0.000 1.181 89 H CB 1.540 31.417 29.762 0.192 0.000 1.693 89 H HN -0.096 nan 8.280 nan 0.000 0.538 90 M N 2.483 122.355 119.600 0.453 0.000 2.974 90 M HA 0.129 4.603 4.480 -0.011 0.000 0.301 90 M C -0.559 176.004 176.300 0.439 0.000 1.409 90 M CA -0.119 55.431 55.300 0.417 0.000 1.515 90 M CB -1.478 31.322 32.600 0.333 0.000 1.163 90 M HN 0.597 nan 8.290 nan 0.000 0.520 91 N N 1.348 120.261 118.700 0.354 0.000 2.359 91 N HA 0.240 4.974 4.740 -0.011 0.000 0.261 91 N C 1.240 176.809 175.510 0.100 0.000 1.267 91 N CA 1.055 54.237 53.050 0.220 0.000 0.864 91 N CB 0.315 38.924 38.487 0.203 0.000 1.063 91 N HN 0.857 nan 8.380 nan 0.000 0.474 92 G N 1.259 110.041 108.800 -0.030 0.000 2.253 92 G HA2 -0.232 3.722 3.960 -0.011 0.000 0.209 92 G HA3 -0.232 3.722 3.960 -0.011 0.000 0.209 92 G C -0.314 174.306 174.900 -0.467 0.000 0.997 92 G CA -0.662 44.268 45.100 -0.283 0.000 0.640 92 G HN 0.460 nan 8.290 nan 0.000 0.496 93 F N 3.540 123.516 119.950 0.043 0.000 2.375 93 F HA 0.528 5.049 4.527 -0.010 0.000 0.361 93 F C -1.692 174.173 175.800 0.109 0.000 1.117 93 F CA -2.181 55.869 58.000 0.084 0.000 1.037 93 F CB 2.353 41.427 39.000 0.124 0.000 1.192 93 F HN -0.114 nan 8.300 nan 0.000 0.452 94 P HA 0.229 nan 4.420 nan 0.000 0.278 94 P C -0.569 176.863 177.300 0.219 0.000 1.258 94 P CA -0.672 62.539 63.100 0.185 0.000 0.811 94 P CB 1.349 33.128 31.700 0.132 0.000 1.063 95 M N 0.695 120.375 119.600 0.133 0.000 2.245 95 M HA 0.389 4.863 4.480 -0.011 0.000 0.330 95 M C -0.505 175.843 176.300 0.080 0.000 1.098 95 M CA 0.584 55.946 55.300 0.104 0.000 1.172 95 M CB -0.105 32.520 32.600 0.042 0.000 1.467 95 M HN 0.056 nan 8.290 nan 0.000 0.454 96 I N 2.969 123.573 120.570 0.057 0.000 2.466 96 I HA 0.574 4.738 4.170 -0.011 0.000 0.289 96 I C -2.360 173.769 176.117 0.021 0.000 1.026 96 I CA -2.095 59.207 61.300 0.003 0.000 1.078 96 I CB 1.659 39.638 38.000 -0.036 0.000 1.249 96 I HN 0.647 nan 8.210 nan 0.000 0.429 97 P HA 0.521 nan 4.420 nan 0.000 0.286 97 P C -0.807 176.406 177.300 -0.145 0.000 1.292 97 P CA -0.466 62.596 63.100 -0.063 0.000 0.842 97 P CB 1.953 33.669 31.700 0.026 0.000 1.207 98 A N 0.053 122.713 122.820 -0.266 0.000 2.259 98 A HA 0.487 4.800 4.320 -0.011 0.000 0.278 98 A C 0.437 177.849 177.584 -0.287 0.000 1.107 98 A CA -0.160 51.654 52.037 -0.372 0.000 0.828 98 A CB -0.502 17.982 19.000 -0.861 0.000 1.111 98 A HN 0.519 nan 8.150 nan 0.000 0.498 99 T N -0.713 113.745 114.554 -0.161 0.000 2.904 99 T HA 0.381 4.725 4.350 -0.011 0.000 0.290 99 T C -0.890 173.854 174.700 0.074 0.000 1.018 99 T CA -0.012 62.072 62.100 -0.027 0.000 1.075 99 T CB 0.017 68.872 68.868 -0.022 0.000 0.986 99 T HN 0.382 nan 8.240 nan 0.000 0.523 100 W N 5.244 126.575 121.300 0.050 0.000 2.351 100 W HA 0.389 5.043 4.660 -0.011 0.000 0.311 100 W C -1.848 174.715 176.519 0.075 0.000 1.168 100 W CA -2.025 55.386 57.345 0.110 0.000 1.200 100 W CB 0.704 30.241 29.460 0.128 0.000 1.221 100 W HN 0.483 nan 8.180 nan 0.000 0.519 101 P HA 0.055 nan 4.420 nan 0.000 0.276 101 P C -0.607 176.781 177.300 0.146 0.000 1.230 101 P CA -0.336 62.843 63.100 0.131 0.000 0.776 101 P CB 1.080 32.808 31.700 0.046 0.000 0.888 102 L N 3.314 124.595 121.223 0.096 0.000 2.534 102 L HA 0.032 4.366 4.340 -0.011 0.000 0.271 102 L C 1.824 178.716 176.870 0.037 0.000 1.178 102 L CA 0.585 55.469 54.840 0.074 0.000 0.907 102 L CB -0.195 41.893 42.059 0.048 0.000 1.164 102 L HN 0.510 nan 8.230 nan 0.000 0.482 103 A N 2.654 125.487 122.820 0.021 0.000 2.066 103 A HA 0.052 4.366 4.320 -0.011 0.000 0.218 103 A C 1.075 178.658 177.584 -0.002 0.000 1.157 103 A CA 1.130 53.175 52.037 0.014 0.000 0.670 103 A CB -0.063 18.936 19.000 -0.003 0.000 0.804 103 A HN 0.595 nan 8.150 nan 0.000 0.453 104 S N -0.398 115.291 115.700 -0.018 0.000 2.614 104 S HA 0.392 4.856 4.470 -0.011 0.000 0.275 104 S C -0.285 174.302 174.600 -0.021 0.000 1.161 104 S CA -0.340 57.849 58.200 -0.018 0.000 0.969 104 S CB 0.821 64.004 63.200 -0.028 0.000 1.059 104 S HN 0.442 nan 8.310 nan 0.000 0.482 105 N N 5.558 124.255 118.700 -0.005 0.000 2.214 105 N HA 0.148 4.881 4.740 -0.011 0.000 0.214 105 N C 1.074 176.604 175.510 0.033 0.000 1.132 105 N CA -0.168 52.879 53.050 -0.005 0.000 0.856 105 N CB -0.330 38.151 38.487 -0.011 0.000 1.020 105 N HN 0.602 nan 8.380 nan 0.000 0.509 106 L N 0.273 121.513 121.223 0.029 0.000 2.017 106 L HA -0.081 4.253 4.340 -0.011 0.000 0.208 106 L C 2.565 179.468 176.870 0.054 0.000 1.073 106 L CA 1.397 56.268 54.840 0.052 0.000 0.745 106 L CB -0.336 41.745 42.059 0.038 0.000 0.894 106 L HN 0.259 nan 8.230 nan 0.000 0.432 107 K N 0.790 121.201 120.400 0.019 0.000 2.103 107 K HA -0.216 4.098 4.320 -0.011 0.000 0.204 107 K C 2.225 178.855 176.600 0.049 0.000 1.052 107 K CA 1.241 57.537 56.287 0.015 0.000 0.945 107 K CB 0.044 32.523 32.500 -0.036 0.000 0.722 107 K HN 0.104 nan 8.250 nan 0.000 0.443 108 K N 0.796 121.226 120.400 0.049 0.000 2.026 108 K HA -0.159 4.154 4.320 -0.011 0.000 0.208 108 K C 2.143 178.898 176.600 0.258 0.000 1.048 108 K CA 1.365 57.710 56.287 0.097 0.000 0.929 108 K CB 0.018 32.502 32.500 -0.027 0.000 0.713 108 K HN 0.130 nan 8.250 nan 0.000 0.439 109 R N -0.097 120.557 120.500 0.255 0.000 2.066 109 R HA -0.085 4.249 4.340 -0.011 0.000 0.232 109 R C 2.452 178.862 176.300 0.183 0.000 1.131 109 R CA 1.251 57.532 56.100 0.303 0.000 0.955 109 R CB -0.374 30.075 30.300 0.249 0.000 0.851 109 R HN 0.249 nan 8.270 nan 0.000 0.432 110 A N 1.592 124.490 122.820 0.130 0.000 1.877 110 A HA -0.198 4.115 4.320 -0.011 0.000 0.216 110 A C 1.523 179.154 177.584 0.079 0.000 1.186 110 A CA 1.889 53.977 52.037 0.086 0.000 0.620 110 A CB -0.429 18.607 19.000 0.059 0.000 0.822 110 A HN 0.179 nan 8.150 nan 0.000 0.443 111 D N -0.086 120.368 120.400 0.091 0.000 2.219 111 D HA 0.027 4.660 4.640 -0.011 0.000 0.205 111 D C 1.767 178.128 176.300 0.102 0.000 0.970 111 D CA 1.283 55.334 54.000 0.085 0.000 0.851 111 D CB -0.240 40.612 40.800 0.087 0.000 0.943 111 D HN 0.449 nan 8.370 nan 0.000 0.488 112 A N -0.055 122.849 122.820 0.140 0.000 2.251 112 A HA -0.001 4.313 4.320 -0.011 0.000 0.209 112 A C 0.424 178.029 177.584 0.034 0.000 1.187 112 A CA 0.136 52.239 52.037 0.110 0.000 0.823 112 A CB 0.098 19.191 19.000 0.156 0.000 0.846 112 A HN 0.044 nan 8.150 nan 0.000 0.486 113 D N -0.911 119.515 120.400 0.043 0.000 2.835 113 D HA -0.121 4.512 4.640 -0.011 0.000 0.230 113 D C -0.574 175.727 176.300 0.001 0.000 1.130 113 D CA 0.689 54.699 54.000 0.017 0.000 0.738 113 D CB -1.115 39.689 40.800 0.007 0.000 1.090 113 D HN 0.440 nan 8.370 nan 0.000 0.433 114 L N 0.198 121.435 121.223 0.024 0.000 2.334 114 L HA 0.669 5.003 4.340 -0.011 0.000 0.275 114 L C 1.092 178.016 176.870 0.089 0.000 1.036 114 L CA -0.747 54.114 54.840 0.035 0.000 0.807 114 L CB 1.535 43.614 42.059 0.034 0.000 1.231 114 L HN 0.014 nan 8.230 nan 0.000 0.438 115 A N 0.881 123.766 122.820 0.108 0.000 2.386 115 A HA 0.207 4.521 4.320 -0.011 0.000 0.248 115 A C 0.278 177.973 177.584 0.185 0.000 1.082 115 A CA -0.274 51.821 52.037 0.097 0.000 0.789 115 A CB 0.136 19.160 19.000 0.040 0.000 1.025 115 A HN 0.847 nan 8.150 nan 0.000 0.490 116 D N -0.068 120.315 120.400 -0.028 0.000 2.388 116 D HA 0.422 5.056 4.640 -0.011 0.000 0.221 116 D C 0.325 176.142 176.300 -0.804 0.000 1.133 116 D CA 0.563 54.504 54.000 -0.098 0.000 0.831 116 D CB -0.075 40.716 40.800 -0.015 0.000 0.962 116 D HN 0.902 nan 8.370 nan 0.000 0.502 117 G N -0.408 107.647 108.800 -1.241 0.000 2.328 117 G HA2 0.375 4.329 3.960 -0.011 0.000 0.295 117 G HA3 0.375 4.329 3.960 -0.011 0.000 0.295 117 G C -3.244 171.016 174.900 -1.066 0.000 1.413 117 G CA -1.146 42.949 45.100 -1.675 0.000 0.817 117 G HN -0.145 nan 8.290 nan 0.000 0.546 118 P HA 0.181 nan 4.420 nan 0.000 0.264 118 P C 1.268 178.551 177.300 -0.028 0.000 1.193 118 P CA -0.025 62.974 63.100 -0.168 0.000 0.763 118 P CB 1.351 33.016 31.700 -0.058 0.000 0.810 119 V N 1.785 121.792 119.914 0.155 0.000 2.788 119 V HA 0.011 4.125 4.120 -0.011 0.000 0.251 119 V C 0.556 176.651 176.094 0.001 0.000 1.068 119 V CA 1.789 64.098 62.300 0.016 0.000 1.090 119 V CB -0.468 31.333 31.823 -0.036 0.000 0.710 119 V HN 0.585 nan 8.190 nan 0.000 0.467 120 S N -1.223 114.499 115.700 0.038 0.000 2.634 120 S HA 0.549 5.013 4.470 -0.011 0.000 0.296 120 S C 0.504 175.108 174.600 0.006 0.000 1.104 120 S CA 0.149 58.351 58.200 0.003 0.000 0.920 120 S CB 1.850 65.045 63.200 -0.009 0.000 1.111 120 S HN 0.239 nan 8.310 nan 0.000 0.493 121 E N 1.377 121.568 120.200 -0.015 0.000 2.110 121 E HA -0.159 4.184 4.350 -0.011 0.000 0.193 121 E C 1.995 178.583 176.600 -0.020 0.000 0.988 121 E CA 1.637 58.027 56.400 -0.016 0.000 0.804 121 E CB -0.231 29.454 29.700 -0.025 0.000 0.745 121 E HN 0.682 nan 8.360 nan 0.000 0.458 122 R N 0.247 120.725 120.500 -0.037 0.000 2.094 122 R HA -0.192 4.142 4.340 -0.011 0.000 0.239 122 R C 1.395 177.658 176.300 -0.062 0.000 1.137 122 R CA 2.145 58.205 56.100 -0.066 0.000 0.943 122 R CB -0.421 29.824 30.300 -0.091 0.000 0.850 122 R HN 0.178 nan 8.270 nan 0.000 0.433 123 D N 0.068 120.456 120.400 -0.019 0.000 2.117 123 D HA -0.167 4.467 4.640 -0.011 0.000 0.197 123 D C 1.599 177.932 176.300 0.056 0.000 0.987 123 D CA 1.317 55.308 54.000 -0.016 0.000 0.829 123 D CB -0.614 40.297 40.800 0.185 0.000 0.961 123 D HN 0.314 nan 8.370 nan 0.000 0.460 124 N N 0.258 119.023 118.700 0.108 0.000 2.104 124 N HA -0.111 4.623 4.740 -0.011 0.000 0.190 124 N C 1.714 177.279 175.510 0.091 0.000 1.024 124 N CA 0.844 53.976 53.050 0.138 0.000 0.853 124 N CB -0.262 38.258 38.487 0.054 0.000 1.008 124 N HN 0.154 nan 8.380 nan 0.000 0.424 125 L N -0.194 121.039 121.223 0.017 0.000 2.093 125 L HA -0.090 4.243 4.340 -0.011 0.000 0.208 125 L C 2.220 179.070 176.870 -0.034 0.000 1.085 125 L CA 0.678 55.513 54.840 -0.008 0.000 0.755 125 L CB -0.372 41.666 42.059 -0.035 0.000 0.904 125 L HN 0.236 nan 8.230 nan 0.000 0.435 126 L N -1.490 119.672 121.223 -0.101 0.000 2.056 126 L HA -0.185 4.149 4.340 -0.011 0.000 0.207 126 L C 2.504 179.271 176.870 -0.171 0.000 1.078 126 L CA 1.344 56.069 54.840 -0.191 0.000 0.749 126 L CB -0.500 41.379 42.059 -0.300 0.000 0.901 126 L HN 0.109 nan 8.230 nan 0.000 0.433 127 F N 0.173 120.118 119.950 -0.007 0.000 2.102 127 F HA -0.210 4.310 4.527 -0.010 0.000 0.298 127 F C 2.774 178.593 175.800 0.032 0.000 1.105 127 F CA 1.227 59.242 58.000 0.024 0.000 1.239 127 F CB -0.208 38.812 39.000 0.033 0.000 0.991 127 F HN -0.092 nan 8.300 nan 0.000 0.474 128 R N -0.050 120.566 120.500 0.194 0.000 2.115 128 R HA -0.082 4.251 4.340 -0.011 0.000 0.230 128 R C 2.388 178.728 176.300 0.066 0.000 1.111 128 R CA 0.974 57.141 56.100 0.110 0.000 0.976 128 R CB -0.627 29.718 30.300 0.074 0.000 0.870 128 R HN 0.262 nan 8.270 nan 0.000 0.445 129 A N 1.287 124.118 122.820 0.019 0.000 1.933 129 A HA -0.105 4.209 4.320 -0.011 0.000 0.218 129 A C 2.357 179.929 177.584 -0.021 0.000 1.175 129 A CA 1.609 53.630 52.037 -0.026 0.000 0.628 129 A CB -0.579 18.362 19.000 -0.097 0.000 0.814 129 A HN 0.383 nan 8.150 nan 0.000 0.444 130 A N -0.484 122.337 122.820 0.003 0.000 1.902 130 A HA -0.025 4.289 4.320 -0.011 0.000 0.217 130 A C 2.203 179.974 177.584 0.312 0.000 1.181 130 A CA 1.813 53.942 52.037 0.155 0.000 0.623 130 A CB -0.922 18.269 19.000 0.318 0.000 0.818 130 A HN 0.406 nan 8.150 nan 0.000 0.443 131 V N 0.059 120.112 119.914 0.231 0.000 2.407 131 V HA -0.266 3.848 4.120 -0.011 0.000 0.248 131 V C 2.630 178.866 176.094 0.237 0.000 1.055 131 V CA 2.209 64.632 62.300 0.206 0.000 1.049 131 V CB -0.830 30.989 31.823 -0.007 0.000 0.662 131 V HN 0.526 nan 8.190 nan 0.000 0.455 132 R N -0.354 120.242 120.500 0.160 0.000 2.075 132 R HA -0.013 4.321 4.340 -0.011 0.000 0.232 132 R C 2.263 178.695 176.300 0.219 0.000 1.126 132 R CA 1.187 57.382 56.100 0.157 0.000 0.963 132 R CB -0.330 30.027 30.300 0.095 0.000 0.858 132 R HN 0.419 nan 8.270 nan 0.000 0.435 133 L N 0.035 121.401 121.223 0.239 0.000 2.109 133 L HA -0.081 4.253 4.340 -0.011 0.000 0.207 133 L C 2.461 179.584 176.870 0.421 0.000 1.086 133 L CA 1.121 56.165 54.840 0.340 0.000 0.760 133 L CB -0.275 41.966 42.059 0.303 0.000 0.910 133 L HN 0.231 nan 8.230 nan 0.000 0.437 134 M N -1.310 118.531 119.600 0.402 0.000 2.236 134 M HA -0.079 4.395 4.480 -0.011 0.000 0.266 134 M C 1.107 177.393 176.300 -0.023 0.000 1.070 134 M CA 1.656 57.074 55.300 0.196 0.000 1.137 134 M CB 0.047 32.738 32.600 0.152 0.000 1.378 134 M HN 0.098 nan 8.290 nan 0.000 0.426 135 F N 0.032 120.025 119.950 0.073 0.000 2.647 135 F HA 0.166 4.687 4.527 -0.011 0.000 0.300 135 F C 1.029 176.920 175.800 0.151 0.000 1.106 135 F CA -0.618 57.418 58.000 0.060 0.000 1.313 135 F CB -0.066 38.865 39.000 -0.115 0.000 1.007 135 F HN -0.069 nan 8.300 nan 0.000 0.536 136 S N -1.277 114.571 115.700 0.246 0.000 2.549 136 S HA 0.355 4.819 4.470 -0.011 0.000 0.297 136 S C -0.304 174.349 174.600 0.087 0.000 1.115 136 S CA -0.811 57.492 58.200 0.172 0.000 1.059 136 S CB 1.411 64.705 63.200 0.157 0.000 1.046 136 S HN 0.253 nan 8.310 nan 0.000 0.506 137 D N 0.750 121.175 120.400 0.042 0.000 2.735 137 D HA -0.131 4.503 4.640 -0.011 0.000 0.235 137 D C -0.685 175.606 176.300 -0.015 0.000 1.175 137 D CA 0.718 54.720 54.000 0.003 0.000 0.683 137 D CB -1.389 39.418 40.800 0.012 0.000 1.008 137 D HN 0.576 nan 8.370 nan 0.000 0.416 138 L N 0.470 121.674 121.223 -0.032 0.000 2.334 138 L HA 0.275 4.609 4.340 -0.011 0.000 0.277 138 L C 1.043 177.879 176.870 -0.057 0.000 1.075 138 L CA -0.578 54.231 54.840 -0.052 0.000 0.804 138 L CB 1.103 43.126 42.059 -0.061 0.000 1.174 138 L HN -0.148 nan 8.230 nan 0.000 0.438 139 E N 3.775 123.943 120.200 -0.053 0.000 2.156 139 E HA 0.339 4.682 4.350 -0.011 0.000 0.279 139 E C -2.281 174.298 176.600 -0.035 0.000 0.965 139 E CA -1.926 54.448 56.400 -0.043 0.000 0.789 139 E CB 1.300 30.976 29.700 -0.039 0.000 1.098 139 E HN 0.300 nan 8.360 nan 0.000 0.397 140 P HA 0.101 nan 4.420 nan 0.000 0.271 140 P C -0.296 177.007 177.300 0.005 0.000 1.218 140 P CA -0.223 62.875 63.100 -0.002 0.000 0.780 140 P CB 0.912 32.615 31.700 0.006 0.000 0.901 141 V N -1.645 118.282 119.914 0.022 0.000 3.159 141 V HA 0.671 4.785 4.120 -0.011 0.000 0.308 141 V C -2.814 173.306 176.094 0.042 0.000 1.190 141 V CA -2.817 59.495 62.300 0.020 0.000 1.037 141 V CB 1.637 33.465 31.823 0.008 0.000 1.060 141 V HN 0.386 nan 8.190 nan 0.000 0.437 142 P HA 0.277 nan 4.420 nan 0.000 0.275 142 P C -0.457 176.888 177.300 0.076 0.000 1.228 142 P CA -0.323 62.812 63.100 0.058 0.000 0.786 142 P CB 1.336 33.066 31.700 0.051 0.000 0.927 143 L N 3.117 124.393 121.223 0.088 0.000 2.433 143 L HA 0.102 4.435 4.340 -0.011 0.000 0.275 143 L C 0.578 177.531 176.870 0.138 0.000 1.128 143 L CA -0.117 54.788 54.840 0.107 0.000 0.875 143 L CB 0.087 42.196 42.059 0.083 0.000 1.171 143 L HN 0.246 nan 8.230 nan 0.000 0.463 144 K N 6.482 126.973 120.400 0.152 0.000 2.118 144 K HA 0.550 4.863 4.320 -0.011 0.000 0.267 144 K C -0.651 176.058 176.600 0.181 0.000 0.991 144 K CA -0.454 55.937 56.287 0.173 0.000 0.916 144 K CB 2.127 34.750 32.500 0.205 0.000 1.041 144 K HN 0.565 nan 8.250 nan 0.000 0.455 145 I N 2.085 122.753 120.570 0.164 0.000 2.466 145 I HA 0.248 4.412 4.170 -0.011 0.000 0.289 145 I C 0.062 176.209 176.117 0.051 0.000 1.026 145 I CA -1.170 60.198 61.300 0.114 0.000 1.078 145 I CB 2.010 40.075 38.000 0.107 0.000 1.249 145 I HN 0.360 nan 8.210 nan 0.000 0.429 146 R N 5.984 126.486 120.500 0.003 0.000 2.484 146 R HA 0.107 4.441 4.340 -0.011 0.000 0.293 146 R C -0.483 175.790 176.300 -0.045 0.000 1.023 146 R CA 0.205 56.289 56.100 -0.027 0.000 1.037 146 R CB 0.346 30.625 30.300 -0.035 0.000 0.951 146 R HN 0.421 nan 8.270 nan 0.000 0.418 147 K N 3.188 123.572 120.400 -0.027 0.000 2.401 147 K HA 0.196 4.510 4.320 -0.011 0.000 0.278 147 K C 0.902 177.471 176.600 -0.052 0.000 1.018 147 K CA 0.801 57.074 56.287 -0.023 0.000 0.981 147 K CB 0.691 33.198 32.500 0.011 0.000 0.933 147 K HN 0.913 nan 8.250 nan 0.000 0.477 148 G N 1.400 110.164 108.800 -0.060 0.000 2.234 148 G HA2 -0.334 3.620 3.960 -0.011 0.000 0.260 148 G HA3 -0.334 3.620 3.960 -0.011 0.000 0.260 148 G C 0.219 175.069 174.900 -0.083 0.000 0.987 148 G CA 0.495 45.554 45.100 -0.068 0.000 0.625 148 G HN 0.728 nan 8.290 nan 0.000 0.532 149 S N -0.080 115.557 115.700 -0.104 0.000 2.576 149 S HA 0.622 5.085 4.470 -0.011 0.000 0.276 149 S C 0.497 175.010 174.600 -0.144 0.000 1.339 149 S CA 0.768 58.897 58.200 -0.119 0.000 1.039 149 S CB 1.825 64.937 63.200 -0.146 0.000 0.902 149 S HN 1.521 nan 8.310 nan 0.000 0.516 150 S N 0.801 116.434 115.700 -0.111 0.000 2.610 150 S HA 0.370 4.833 4.470 -0.011 0.000 0.273 150 S C 1.360 175.830 174.600 -0.217 0.000 1.274 150 S CA -0.091 58.043 58.200 -0.110 0.000 1.023 150 S CB 0.554 63.745 63.200 -0.015 0.000 0.962 150 S HN 1.003 nan 8.310 nan 0.000 0.523 151 T N 0.699 115.120 114.554 -0.222 0.000 3.100 151 T HA 0.180 4.523 4.350 -0.011 0.000 0.253 151 T C 1.270 175.804 174.700 -0.275 0.000 1.118 151 T CA 0.362 62.338 62.100 -0.206 0.000 1.058 151 T CB -1.423 67.431 68.868 -0.023 0.000 0.953 151 T HN 0.786 nan 8.240 nan 0.000 0.515 152 C N 0.338 119.298 119.300 -0.568 0.000 0.168 152 C HA -0.229 4.225 4.460 -0.011 0.000 0.017 152 C C 1.015 175.157 174.990 -1.414 0.000 0.171 152 C CA -0.940 57.342 59.018 -1.226 0.000 0.499 152 C CB -1.603 25.854 27.740 -0.472 0.000 3.212 152 C HN 0.740 nan 8.230 nan 0.000 1.118 153 I N 3.833 123.837 120.570 -0.942 0.000 2.752 153 I HA 0.077 4.240 4.170 -0.011 0.000 0.289 153 I C -0.814 175.090 176.117 -0.355 0.000 1.197 153 I CA 0.025 61.004 61.300 -0.534 0.000 1.432 153 I CB 0.541 38.360 38.000 -0.302 0.000 1.359 153 I HN 0.591 nan 8.210 nan 0.000 0.571 154 P HA 0.020 nan 4.420 nan 0.000 0.272 154 P C 0.774 177.946 177.300 -0.213 0.000 1.276 154 P CA 0.614 63.502 63.100 -0.354 0.000 0.871 154 P CB 0.331 31.786 31.700 -0.408 0.000 1.313 155 Y N -1.026 119.265 120.300 -0.015 0.000 2.448 155 Y HA 0.242 4.781 4.550 -0.018 0.000 0.289 155 Y C 0.897 176.896 175.900 0.165 0.000 1.114 155 Y CA -0.182 57.961 58.100 0.071 0.000 1.235 155 Y CB -1.168 37.298 38.460 0.010 0.000 1.045 155 Y HN -0.289 nan 8.280 nan 0.000 0.554 156 F N 0.499 120.501 119.950 0.087 0.000 3.027 156 F HA -0.269 4.251 4.527 -0.013 0.000 0.276 156 F C 0.753 176.566 175.800 0.021 0.000 0.967 156 F CA 0.557 58.560 58.000 0.006 0.000 0.929 156 F CB -1.625 37.350 39.000 -0.042 0.000 0.873 156 F HN 0.005 nan 8.300 nan 0.000 0.787 157 S N -0.109 115.654 115.700 0.106 0.000 2.585 157 S HA 0.563 5.027 4.470 -0.011 0.000 0.277 157 S C 0.850 175.443 174.600 -0.012 0.000 1.241 157 S CA -0.186 58.045 58.200 0.051 0.000 1.041 157 S CB 1.099 64.311 63.200 0.020 0.000 0.987 157 S HN 0.337 nan 8.310 nan 0.000 0.512 158 N N 1.514 120.202 118.700 -0.020 0.000 2.159 158 N HA 0.183 4.917 4.740 -0.011 0.000 0.217 158 N C -1.267 174.208 175.510 -0.059 0.000 1.223 158 N CA -0.262 52.758 53.050 -0.049 0.000 0.896 158 N CB 0.460 38.929 38.487 -0.029 0.000 1.064 158 N HN 0.675 nan 8.380 nan 0.000 0.518 159 D N 0.509 120.878 120.400 -0.052 0.000 2.343 159 D HA 0.043 4.677 4.640 -0.011 0.000 0.255 159 D C 1.231 177.484 176.300 -0.079 0.000 1.187 159 D CA -0.248 53.718 54.000 -0.057 0.000 0.875 159 D CB 0.742 41.512 40.800 -0.049 0.000 1.136 159 D HN -0.115 nan 8.370 nan 0.000 0.469 160 M N 3.910 123.456 119.600 -0.089 0.000 2.149 160 M HA 0.022 4.496 4.480 -0.011 0.000 0.261 160 M C 1.801 178.014 176.300 -0.146 0.000 1.064 160 M CA 2.030 57.254 55.300 -0.128 0.000 1.102 160 M CB -0.682 31.827 32.600 -0.152 0.000 1.369 160 M HN 0.524 nan 8.290 nan 0.000 0.408 161 G N -1.688 107.041 108.800 -0.117 0.000 2.418 161 G HA2 -0.188 3.766 3.960 -0.011 0.000 0.217 161 G HA3 -0.188 3.766 3.960 -0.011 0.000 0.217 161 G C 1.430 176.284 174.900 -0.076 0.000 1.158 161 G CA 1.354 46.392 45.100 -0.103 0.000 0.771 161 G HN 0.500 nan 8.290 nan 0.000 0.545 162 T N 0.651 115.163 114.554 -0.069 0.000 2.821 162 T HA -0.018 4.326 4.350 -0.011 0.000 0.267 162 T C 2.313 177.000 174.700 -0.021 0.000 1.046 162 T CA 1.199 63.262 62.100 -0.062 0.000 1.139 162 T CB -0.089 68.733 68.868 -0.077 0.000 0.871 162 T HN 0.285 nan 8.240 nan 0.000 0.454 163 K N 0.519 120.906 120.400 -0.023 0.000 2.148 163 K HA 0.042 4.356 4.320 -0.011 0.000 0.204 163 K C 2.064 178.754 176.600 0.149 0.000 1.050 163 K CA 0.749 57.063 56.287 0.045 0.000 0.942 163 K CB -0.108 32.329 32.500 -0.104 0.000 0.724 163 K HN 0.244 nan 8.250 nan 0.000 0.446 164 I N 1.892 122.483 120.570 0.035 0.000 2.252 164 I HA -0.194 3.970 4.170 -0.011 0.000 0.245 164 I C 2.003 178.143 176.117 0.039 0.000 1.102 164 I CA 1.517 62.840 61.300 0.038 0.000 1.385 164 I CB -0.952 37.020 38.000 -0.046 0.000 1.064 164 I HN 0.223 nan 8.210 nan 0.000 0.414 165 E N 0.854 121.060 120.200 0.011 0.000 2.051 165 E HA -0.207 4.137 4.350 -0.011 0.000 0.192 165 E C 2.370 178.978 176.600 0.013 0.000 0.991 165 E CA 1.202 57.601 56.400 -0.002 0.000 0.799 165 E CB -0.141 29.541 29.700 -0.030 0.000 0.748 165 E HN 0.409 nan 8.360 nan 0.000 0.449 166 I N 1.291 121.892 120.570 0.052 0.000 2.163 166 I HA -0.320 3.844 4.170 -0.011 0.000 0.243 166 I C 2.590 178.706 176.117 -0.001 0.000 1.085 166 I CA 1.163 62.509 61.300 0.076 0.000 1.347 166 I CB -0.325 37.803 38.000 0.215 0.000 1.044 166 I HN 0.104 nan 8.210 nan 0.000 0.408 167 A N 0.321 123.153 122.820 0.021 0.000 1.877 167 A HA -0.225 4.088 4.320 -0.011 0.000 0.216 167 A C 2.198 179.707 177.584 -0.124 0.000 1.186 167 A CA 1.729 53.681 52.037 -0.143 0.000 0.620 167 A CB -0.594 18.398 19.000 -0.013 0.000 0.822 167 A HN 0.466 nan 8.150 nan 0.000 0.443 168 E N -0.915 119.255 120.200 -0.051 0.000 2.077 168 E HA -0.222 4.122 4.350 -0.011 0.000 0.193 168 E C 2.289 178.854 176.600 -0.060 0.000 0.989 168 E CA 1.245 57.615 56.400 -0.050 0.000 0.800 168 E CB -0.175 29.517 29.700 -0.014 0.000 0.746 168 E HN 0.473 nan 8.360 nan 0.000 0.452 169 R N 1.536 122.009 120.500 -0.044 0.000 2.083 169 R HA -0.135 4.198 4.340 -0.011 0.000 0.237 169 R C 2.069 178.328 176.300 -0.067 0.000 1.137 169 R CA 1.858 57.937 56.100 -0.035 0.000 0.951 169 R CB -0.851 29.444 30.300 -0.008 0.000 0.851 169 R HN 0.151 nan 8.270 nan 0.000 0.434 170 A N 0.744 123.505 122.820 -0.098 0.000 1.883 170 A HA -0.127 4.186 4.320 -0.011 0.000 0.217 170 A C 2.322 179.804 177.584 -0.170 0.000 1.186 170 A CA 1.736 53.692 52.037 -0.136 0.000 0.624 170 A CB -0.782 18.096 19.000 -0.203 0.000 0.822 170 A HN 0.379 nan 8.150 nan 0.000 0.444 171 L N -0.855 120.216 121.223 -0.253 0.000 2.187 171 L HA -0.198 4.135 4.340 -0.011 0.000 0.213 171 L C 2.618 179.476 176.870 -0.020 0.000 1.100 171 L CA 1.765 56.383 54.840 -0.370 0.000 0.765 171 L CB -0.519 41.275 42.059 -0.441 0.000 0.904 171 L HN 0.634 nan 8.230 nan 0.000 0.437 172 E N 0.230 120.402 120.200 -0.047 0.000 2.076 172 E HA -0.146 4.198 4.350 -0.011 0.000 0.190 172 E C 1.541 178.078 176.600 -0.105 0.000 0.979 172 E CA 0.670 57.051 56.400 -0.032 0.000 0.807 172 E CB 0.387 30.064 29.700 -0.038 0.000 0.761 172 E HN 0.195 nan 8.360 nan 0.000 0.454 173 K N -0.052 120.245 120.400 -0.173 0.000 2.374 173 K HA 0.211 4.524 4.320 -0.011 0.000 0.196 173 K C 1.454 177.823 176.600 -0.385 0.000 1.023 173 K CA 0.511 56.574 56.287 -0.372 0.000 1.103 173 K CB 0.733 32.877 32.500 -0.593 0.000 0.848 173 K HN 0.108 nan 8.250 nan 0.000 0.528 174 A N 1.760 124.492 122.820 -0.147 0.000 1.873 174 A HA -0.271 4.043 4.320 -0.011 0.000 0.218 174 A C 2.228 179.739 177.584 -0.122 0.000 1.193 174 A CA 2.159 54.223 52.037 0.046 0.000 0.629 174 A CB -0.461 18.822 19.000 0.472 0.000 0.826 174 A HN 0.474 nan 8.150 nan 0.000 0.447 175 E N -0.384 119.392 120.200 -0.707 0.000 2.070 175 E HA -0.291 4.053 4.350 -0.011 0.000 0.197 175 E C 2.054 178.285 176.600 -0.615 0.000 1.004 175 E CA 1.713 57.235 56.400 -1.462 0.000 0.805 175 E CB -0.238 28.486 29.700 -1.628 0.000 0.744 175 E HN 0.753 nan 8.360 nan 0.000 0.451 176 E N -0.419 119.525 120.200 -0.426 0.000 2.077 176 E HA -0.204 4.140 4.350 -0.011 0.000 0.193 176 E C 1.943 178.475 176.600 -0.114 0.000 0.989 176 E CA 0.983 57.239 56.400 -0.239 0.000 0.800 176 E CB -0.179 29.388 29.700 -0.222 0.000 0.746 176 E HN 0.379 nan 8.360 nan 0.000 0.452 177 A N 0.691 123.428 122.820 -0.138 0.000 1.898 177 A HA -0.061 4.253 4.320 -0.011 0.000 0.216 177 A C 2.390 180.016 177.584 0.070 0.000 1.181 177 A CA 1.592 53.655 52.037 0.043 0.000 0.620 177 A CB -1.072 17.961 19.000 0.055 0.000 0.819 177 A HN 0.444 nan 8.150 nan 0.000 0.442 178 G N 0.065 108.947 108.800 0.137 0.000 2.418 178 G HA2 -0.260 3.694 3.960 -0.011 0.000 0.217 178 G HA3 -0.260 3.694 3.960 -0.011 0.000 0.217 178 G C 1.397 176.397 174.900 0.167 0.000 1.158 178 G CA 0.998 46.243 45.100 0.242 0.000 0.771 178 G HN 0.528 nan 8.290 nan 0.000 0.545 179 N N 0.453 119.235 118.700 0.137 0.000 2.223 179 N HA -0.011 4.723 4.740 -0.011 0.000 0.185 179 N C 2.258 177.769 175.510 0.002 0.000 1.016 179 N CA 0.506 53.606 53.050 0.082 0.000 0.863 179 N CB -0.235 38.277 38.487 0.042 0.000 0.983 179 N HN 0.288 nan 8.380 nan 0.000 0.429 180 L N 0.540 121.750 121.223 -0.022 0.000 2.046 180 L HA -0.079 4.255 4.340 -0.011 0.000 0.208 180 L C 2.360 179.109 176.870 -0.201 0.000 1.077 180 L CA 0.981 55.778 54.840 -0.071 0.000 0.747 180 L CB -0.251 41.788 42.059 -0.033 0.000 0.896 180 L HN 0.145 nan 8.230 nan 0.000 0.432 181 M N -0.845 118.607 119.600 -0.247 0.000 2.175 181 M HA -0.221 4.253 4.480 -0.011 0.000 0.264 181 M C 2.233 178.299 176.300 -0.390 0.000 1.063 181 M CA 1.613 56.563 55.300 -0.583 0.000 1.119 181 M CB -0.296 32.109 32.600 -0.326 0.000 1.377 181 M HN 0.234 nan 8.290 nan 0.000 0.415 182 L N -0.149 121.000 121.223 -0.124 0.000 2.187 182 L HA -0.221 4.112 4.340 -0.011 0.000 0.213 182 L C 1.885 178.725 176.870 -0.051 0.000 1.100 182 L CA 1.191 56.013 54.840 -0.031 0.000 0.765 182 L CB -0.462 41.622 42.059 0.042 0.000 0.904 182 L HN 0.416 nan 8.230 nan 0.000 0.437 183 Q N -0.493 119.250 119.800 -0.095 0.000 2.280 183 Q HA 0.131 4.465 4.340 -0.011 0.000 0.202 183 Q C 1.340 177.286 176.000 -0.090 0.000 0.903 183 Q CA 0.480 56.244 55.803 -0.065 0.000 0.948 183 Q CB 0.561 29.269 28.738 -0.049 0.000 1.058 183 Q HN 0.539 nan 8.270 nan 0.000 0.493 184 G N 1.917 110.604 108.800 -0.189 0.000 2.162 184 G HA2 -0.317 3.636 3.960 -0.011 0.000 0.260 184 G HA3 -0.317 3.636 3.960 -0.011 0.000 0.260 184 G C 0.142 174.936 174.900 -0.177 0.000 0.976 184 G CA 0.120 45.141 45.100 -0.131 0.000 0.655 184 G HN 0.275 nan 8.290 nan 0.000 0.533 185 K N 0.335 120.560 120.400 -0.292 0.000 2.535 185 K HA 0.467 4.781 4.320 -0.011 0.000 0.242 185 K C 0.942 177.428 176.600 -0.191 0.000 1.210 185 K CA -0.660 55.537 56.287 -0.151 0.000 1.178 185 K CB -0.223 32.223 32.500 -0.090 0.000 1.778 185 K HN 0.282 nan 8.250 nan 0.000 0.372 186 F N 0.564 120.539 119.950 0.041 0.000 2.146 186 F HA -0.177 4.344 4.527 -0.011 0.000 0.298 186 F C 1.800 177.638 175.800 0.062 0.000 1.096 186 F CA 1.008 59.035 58.000 0.045 0.000 1.275 186 F CB 0.058 39.070 39.000 0.019 0.000 1.008 186 F HN 0.331 nan 8.300 nan 0.000 0.480 187 D N 0.317 120.844 120.400 0.213 0.000 2.117 187 D HA -0.160 4.474 4.640 -0.011 0.000 0.197 187 D C 1.784 178.157 176.300 0.121 0.000 0.987 187 D CA 1.395 55.492 54.000 0.162 0.000 0.829 187 D CB -0.456 40.407 40.800 0.104 0.000 0.961 187 D HN 0.217 nan 8.370 nan 0.000 0.460 188 D N 0.448 120.885 120.400 0.061 0.000 2.097 188 D HA -0.092 4.541 4.640 -0.011 0.000 0.195 188 D C 2.039 178.339 176.300 0.000 0.000 0.989 188 D CA 1.298 55.303 54.000 0.008 0.000 0.827 188 D CB -0.367 40.427 40.800 -0.011 0.000 0.966 188 D HN 0.132 nan 8.370 nan 0.000 0.456 189 A N 0.092 122.942 122.820 0.050 0.000 1.940 189 A HA -0.231 4.082 4.320 -0.011 0.000 0.219 189 A C 2.199 179.846 177.584 0.105 0.000 1.176 189 A CA 1.377 53.475 52.037 0.101 0.000 0.631 189 A CB -0.955 18.106 19.000 0.102 0.000 0.814 189 A HN 0.351 nan 8.150 nan 0.000 0.446 190 Y N 0.452 120.757 120.300 0.008 0.000 2.220 190 Y HA -0.143 4.404 4.550 -0.004 0.000 0.291 190 Y C 2.448 178.305 175.900 -0.073 0.000 1.129 190 Y CA 2.055 60.139 58.100 -0.026 0.000 1.161 190 Y CB -0.461 37.983 38.460 -0.027 0.000 0.997 190 Y HN 0.442 nan 8.280 nan 0.000 0.522 191 Q N -0.207 119.467 119.800 -0.210 0.000 2.119 191 Q HA -0.125 4.209 4.340 -0.011 0.000 0.201 191 Q C 2.213 178.026 176.000 -0.311 0.000 0.972 191 Q CA 1.799 57.427 55.803 -0.291 0.000 0.847 191 Q CB -0.079 28.591 28.738 -0.114 0.000 0.903 191 Q HN 0.494 nan 8.270 nan 0.000 0.433 192 L N -0.726 120.289 121.223 -0.346 0.000 2.127 192 L HA -0.063 4.270 4.340 -0.011 0.000 0.203 192 L C 1.552 178.012 176.870 -0.683 0.000 1.080 192 L CA 0.739 55.239 54.840 -0.566 0.000 0.768 192 L CB -0.018 41.541 42.059 -0.833 0.000 0.924 192 L HN 0.325 nan 8.230 nan 0.000 0.444 193 H N -0.999 118.015 119.070 -0.094 0.000 2.893 193 H HA 0.202 4.756 4.556 -0.002 0.000 0.270 193 H C 0.160 175.429 175.328 -0.097 0.000 1.095 193 H CA -0.074 55.930 56.048 -0.072 0.000 1.186 193 H CB 0.789 30.527 29.762 -0.040 0.000 1.562 193 H HN 0.137 nan 8.280 nan 0.000 0.536 194 Q N -0.094 119.606 119.800 -0.167 0.000 2.494 194 Q HA -0.174 4.159 4.340 -0.011 0.000 0.266 194 Q C -0.284 175.733 176.000 0.029 0.000 1.053 194 Q CA 0.741 56.396 55.803 -0.246 0.000 1.029 194 Q CB -2.008 26.614 28.738 -0.194 0.000 1.423 194 Q HN 0.469 nan 8.270 nan 0.000 0.516 195 M N 0.070 119.740 119.600 0.115 0.000 2.080 195 M HA 0.544 5.017 4.480 -0.011 0.000 0.350 195 M C 0.873 177.294 176.300 0.201 0.000 1.143 195 M CA 0.440 55.817 55.300 0.129 0.000 1.064 195 M CB 1.051 33.718 32.600 0.112 0.000 1.429 195 M HN 0.413 nan 8.290 nan 0.000 0.418 196 G N 1.235 110.121 108.800 0.143 0.000 2.247 196 G HA2 0.345 4.299 3.960 -0.011 0.000 0.229 196 G HA3 0.345 4.299 3.960 -0.011 0.000 0.229 196 G C -0.110 174.684 174.900 -0.176 0.000 1.345 196 G CA -0.115 45.008 45.100 0.038 0.000 1.100 196 G HN 1.072 nan 8.290 nan 0.000 0.473 197 G N -0.511 107.987 108.800 -0.502 0.000 3.127 197 G HA2 0.430 4.384 3.960 -0.011 0.000 0.280 197 G HA3 0.430 4.384 3.960 -0.011 0.000 0.280 197 G C 0.796 175.463 174.900 -0.389 0.000 1.491 197 G CA 2.329 46.971 45.100 -0.762 0.000 1.029 197 G HN 2.994 nan 8.290 nan 0.000 0.582 198 A N -2.341 120.293 122.820 -0.309 0.000 2.540 198 A HA 0.696 5.010 4.320 -0.011 0.000 0.291 198 A C -1.287 176.170 177.584 -0.211 0.000 1.083 198 A CA -0.186 51.740 52.037 -0.185 0.000 0.650 198 A CB 0.210 19.200 19.000 -0.017 0.000 1.292 198 A HN 1.509 nan 8.150 nan 0.000 0.435 199 Y N -0.481 119.847 120.300 0.046 0.000 2.307 199 Y HA 0.488 5.034 4.550 -0.008 0.000 0.324 199 Y C -0.208 175.806 175.900 0.189 0.000 1.238 199 Y CA 0.602 58.747 58.100 0.076 0.000 1.280 199 Y CB 1.072 39.548 38.460 0.026 0.000 1.248 199 Y HN 0.615 nan 8.280 nan 0.000 0.508 200 Y N 2.226 122.678 120.300 0.253 0.000 2.369 200 Y HA 0.504 5.048 4.550 -0.010 0.000 0.337 200 Y C -0.865 175.156 175.900 0.201 0.000 0.961 200 Y CA -1.208 57.074 58.100 0.304 0.000 1.186 200 Y CB 0.489 39.177 38.460 0.380 0.000 1.139 200 Y HN 0.318 nan 8.280 nan 0.000 0.494 201 V N 8.172 127.924 119.914 -0.272 0.000 2.439 201 V HA 0.252 4.365 4.120 -0.011 0.000 0.271 201 V C -0.119 175.604 176.094 -0.618 0.000 1.040 201 V CA -0.260 61.792 62.300 -0.415 0.000 1.002 201 V CB 0.414 31.963 31.823 -0.457 0.000 1.000 201 V HN 0.628 nan 8.190 nan 0.000 0.477 202 V N 4.375 124.028 119.914 -0.436 0.000 2.555 202 V HA 0.639 4.753 4.120 -0.011 0.000 0.302 202 V C -1.126 174.727 176.094 -0.402 0.000 1.038 202 V CA -0.801 61.319 62.300 -0.300 0.000 0.887 202 V CB 1.616 33.444 31.823 0.009 0.000 0.991 202 V HN 0.605 nan 8.190 nan 0.000 0.434 203 Y N 4.397 124.655 120.300 -0.070 0.000 2.327 203 Y HA 0.685 5.229 4.550 -0.010 0.000 0.336 203 Y C 0.842 176.709 175.900 -0.055 0.000 1.035 203 Y CA -0.286 57.771 58.100 -0.072 0.000 1.165 203 Y CB 1.286 39.695 38.460 -0.085 0.000 1.181 203 Y HN 0.621 nan 8.280 nan 0.000 0.494 204 R N 1.612 122.153 120.500 0.068 0.000 2.732 204 R HA 0.813 5.146 4.340 -0.011 0.000 0.278 204 R C -0.659 175.612 176.300 -0.048 0.000 0.976 204 R CA -1.199 54.896 56.100 -0.009 0.000 0.963 204 R CB 1.566 31.858 30.300 -0.014 0.000 1.150 204 R HN 0.736 nan 8.270 nan 0.000 0.478 205 A N 1.585 124.324 122.820 -0.135 0.000 2.354 205 A HA 0.131 4.445 4.320 -0.011 0.000 0.269 205 A C -0.469 177.038 177.584 -0.129 0.000 1.109 205 A CA -0.215 51.744 52.037 -0.131 0.000 0.800 205 A CB 0.775 19.675 19.000 -0.167 0.000 1.045 205 A HN 0.502 nan 8.150 nan 0.000 0.489 206 Q N 2.046 121.781 119.800 -0.107 0.000 2.506 206 Q HA 0.189 4.523 4.340 -0.011 0.000 0.242 206 Q C 0.969 176.896 176.000 -0.122 0.000 1.060 206 Q CA 0.260 56.001 55.803 -0.103 0.000 0.826 206 Q CB 1.087 29.769 28.738 -0.093 0.000 1.169 206 Q HN 1.011 nan 8.270 nan 0.000 0.521 207 S N 1.341 116.988 115.700 -0.089 0.000 2.440 207 S HA -0.081 4.382 4.470 -0.011 0.000 0.238 207 S C 0.872 175.447 174.600 -0.041 0.000 1.010 207 S CA 1.259 59.429 58.200 -0.050 0.000 0.972 207 S CB -0.239 62.971 63.200 0.017 0.000 0.774 207 S HN 0.601 nan 8.310 nan 0.000 0.501 208 T N -1.253 113.281 114.554 -0.034 0.000 2.876 208 T HA 0.709 5.053 4.350 -0.011 0.000 0.289 208 T C -1.475 173.209 174.700 -0.026 0.000 1.014 208 T CA -0.814 61.323 62.100 0.062 0.000 0.986 208 T CB 2.181 71.141 68.868 0.153 0.000 1.021 208 T HN 0.096 nan 8.240 nan 0.000 0.458 209 D N 0.423 120.867 120.400 0.074 0.000 2.602 209 D HA 0.596 5.230 4.640 -0.011 0.000 0.236 209 D C -0.426 175.970 176.300 0.161 0.000 1.209 209 D CA -0.464 53.561 54.000 0.042 0.000 0.831 209 D CB 2.159 42.907 40.800 -0.086 0.000 1.478 209 D HN 0.939 nan 8.370 nan 0.000 0.438 210 A N 1.507 124.371 122.820 0.073 0.000 2.531 210 A HA 0.490 4.803 4.320 -0.011 0.000 0.236 210 A C -0.061 177.555 177.584 0.054 0.000 1.062 210 A CA 0.423 52.502 52.037 0.069 0.000 0.760 210 A CB -0.099 18.922 19.000 0.034 0.000 0.995 210 A HN 0.478 nan 8.150 nan 0.000 0.501 211 I N 1.279 121.907 120.570 0.097 0.000 2.656 211 I HA 0.417 4.580 4.170 -0.011 0.000 0.292 211 I C 0.062 176.334 176.117 0.259 0.000 1.144 211 I CA -0.415 60.932 61.300 0.080 0.000 1.038 211 I CB 2.858 40.890 38.000 0.053 0.000 1.244 211 I HN 0.818 nan 8.210 nan 0.000 0.420 212 T N 2.788 117.459 114.554 0.194 0.000 2.924 212 T HA 0.706 5.049 4.350 -0.011 0.000 0.291 212 T C -1.007 173.738 174.700 0.076 0.000 1.045 212 T CA -0.790 61.450 62.100 0.232 0.000 1.015 212 T CB 2.216 71.154 68.868 0.116 0.000 1.103 212 T HN 0.329 nan 8.240 nan 0.000 0.496 213 L N 2.046 123.242 121.223 -0.045 0.000 2.280 213 L HA 0.476 4.810 4.340 -0.011 0.000 0.287 213 L C -0.382 176.355 176.870 -0.221 0.000 1.023 213 L CA -0.354 54.214 54.840 -0.453 0.000 0.819 213 L CB 0.947 42.598 42.059 -0.681 0.000 1.212 213 L HN 0.795 nan 8.230 nan 0.000 0.420 214 D N 7.590 127.860 120.400 -0.216 0.000 2.342 214 D HA 0.122 4.755 4.640 -0.011 0.000 0.260 214 D C -1.635 174.592 176.300 -0.122 0.000 1.278 214 D CA -1.504 52.426 54.000 -0.117 0.000 0.910 214 D CB 1.591 42.341 40.800 -0.084 0.000 1.079 214 D HN 0.451 nan 8.370 nan 0.000 0.496 215 P HA -0.205 nan 4.420 nan 0.000 0.216 215 P C 1.044 178.307 177.300 -0.061 0.000 1.150 215 P CA 0.985 64.045 63.100 -0.068 0.000 0.843 215 P CB 0.524 32.202 31.700 -0.037 0.000 0.787 216 K N 0.128 120.498 120.400 -0.050 0.000 1.965 216 K HA -0.088 4.226 4.320 -0.011 0.000 0.214 216 K C 2.310 178.882 176.600 -0.046 0.000 1.046 216 K CA 2.350 58.613 56.287 -0.040 0.000 0.944 216 K CB -1.934 30.548 32.500 -0.029 0.000 0.726 216 K HN 0.328 nan 8.250 nan 0.000 0.441 217 T N -2.456 112.066 114.554 -0.053 0.000 3.023 217 T HA 0.104 4.448 4.350 -0.011 0.000 0.266 217 T C 1.522 176.175 174.700 -0.078 0.000 1.093 217 T CA 1.190 63.259 62.100 -0.053 0.000 1.129 217 T CB -0.145 68.699 68.868 -0.041 0.000 0.899 217 T HN 0.447 nan 8.240 nan 0.000 0.491 218 G N 1.428 110.154 108.800 -0.123 0.000 2.184 218 G HA2 -0.235 3.719 3.960 -0.011 0.000 0.264 218 G HA3 -0.235 3.719 3.960 -0.011 0.000 0.264 218 G C 0.086 174.840 174.900 -0.243 0.000 0.975 218 G CA 0.289 45.282 45.100 -0.179 0.000 0.642 218 G HN 0.624 nan 8.290 nan 0.000 0.536 219 K N -0.257 120.036 120.400 -0.178 0.000 2.098 219 K HA 0.633 4.947 4.320 -0.011 0.000 0.261 219 K C 0.016 176.505 176.600 -0.186 0.000 0.987 219 K CA -0.659 55.564 56.287 -0.108 0.000 0.916 219 K CB 0.770 33.269 32.500 -0.002 0.000 1.039 219 K HN 0.078 nan 8.250 nan 0.000 0.455 220 F N 0.270 120.218 119.950 -0.002 0.000 2.371 220 F HA 0.276 4.797 4.527 -0.010 0.000 0.329 220 F C 0.410 176.295 175.800 0.142 0.000 1.107 220 F CA -0.569 57.443 58.000 0.019 0.000 1.137 220 F CB 1.198 40.226 39.000 0.046 0.000 1.214 220 F HN -0.030 nan 8.300 nan 0.000 0.536 221 V N 1.874 121.906 119.914 0.196 0.000 2.525 221 V HA 0.339 4.452 4.120 -0.011 0.000 0.299 221 V C -0.642 175.307 176.094 -0.242 0.000 1.034 221 V CA -1.003 61.303 62.300 0.010 0.000 0.863 221 V CB 1.801 33.625 31.823 0.002 0.000 0.999 221 V HN 0.811 nan 8.190 nan 0.000 0.423 222 S N 3.585 118.915 115.700 -0.617 0.000 2.586 222 S HA 0.515 4.979 4.470 -0.011 0.000 0.274 222 S C -0.266 174.172 174.600 -0.270 0.000 1.281 222 S CA -0.720 57.086 58.200 -0.657 0.000 1.035 222 S CB 1.139 63.668 63.200 -1.119 0.000 0.962 222 S HN 0.742 nan 8.310 nan 0.000 0.512 223 K N 1.421 121.726 120.400 -0.159 0.000 2.416 223 K HA 0.038 4.352 4.320 -0.011 0.000 0.283 223 K C -0.841 175.713 176.600 -0.077 0.000 1.037 223 K CA -0.214 56.024 56.287 -0.083 0.000 0.995 223 K CB 0.061 32.534 32.500 -0.045 0.000 0.938 223 K HN 0.568 nan 8.250 nan 0.000 0.475 224 D N 3.528 123.895 120.400 -0.056 0.000 2.424 224 D HA 0.098 4.732 4.640 -0.011 0.000 0.244 224 D C -0.256 176.014 176.300 -0.050 0.000 1.134 224 D CA 0.301 54.274 54.000 -0.045 0.000 0.881 224 D CB 0.683 41.468 40.800 -0.025 0.000 1.191 224 D HN 0.296 nan 8.370 nan 0.000 0.445 225 R N 2.512 122.974 120.500 -0.063 0.000 2.409 225 R HA 0.312 4.646 4.340 -0.011 0.000 0.313 225 R C -0.152 176.074 176.300 -0.123 0.000 0.953 225 R CA -0.789 55.264 56.100 -0.079 0.000 0.849 225 R CB 1.137 31.391 30.300 -0.077 0.000 1.171 225 R HN 0.370 nan 8.270 nan 0.000 0.458 226 M N 3.098 122.620 119.600 -0.130 0.000 2.233 226 M HA 0.264 4.738 4.480 -0.011 0.000 0.350 226 M C 0.482 176.617 176.300 -0.276 0.000 1.176 226 M CA -0.519 54.661 55.300 -0.200 0.000 1.150 226 M CB 0.665 33.175 32.600 -0.151 0.000 1.530 226 M HN 0.338 nan 8.290 nan 0.000 0.459 227 V N -0.157 119.479 119.914 -0.463 0.000 2.962 227 V HA 1.000 5.114 4.120 -0.011 0.000 0.313 227 V C -0.527 175.249 176.094 -0.530 0.000 1.099 227 V CA -1.271 60.753 62.300 -0.459 0.000 0.971 227 V CB 1.548 33.073 31.823 -0.498 0.000 1.028 227 V HN 0.950 nan 8.190 nan 0.000 0.430 228 A N 2.383 125.035 122.820 -0.281 0.000 2.301 228 A HA 0.798 5.111 4.320 -0.011 0.000 0.312 228 A C -0.198 177.468 177.584 0.137 0.000 1.182 228 A CA -0.314 51.606 52.037 -0.195 0.000 0.826 228 A CB 0.554 19.484 19.000 -0.117 0.000 1.134 228 A HN 1.174 nan 8.150 nan 0.000 0.501 229 D N 0.790 121.341 120.400 0.251 0.000 2.451 229 D HA 0.174 4.807 4.640 -0.011 0.000 0.259 229 D C 0.817 177.083 176.300 -0.057 0.000 1.201 229 D CA -0.651 53.504 54.000 0.258 0.000 1.028 229 D CB 0.034 40.994 40.800 0.266 0.000 1.095 229 D HN 0.362 nan 8.370 nan 0.000 0.539 230 F N 0.218 119.749 119.950 -0.698 0.000 2.095 230 F HA -0.213 4.308 4.527 -0.011 0.000 0.298 230 F C 2.088 177.658 175.800 -0.383 0.000 1.104 230 F CA 1.661 59.061 58.000 -0.999 0.000 1.232 230 F CB 0.048 38.238 39.000 -1.349 0.000 0.987 230 F HN 0.183 nan 8.300 nan 0.000 0.475 231 E N -0.213 119.769 120.200 -0.362 0.000 2.058 231 E HA -0.294 4.050 4.350 -0.011 0.000 0.194 231 E C 2.074 178.532 176.600 -0.236 0.000 0.997 231 E CA 1.753 57.954 56.400 -0.332 0.000 0.801 231 E CB -1.047 28.599 29.700 -0.091 0.000 0.746 231 E HN 0.668 nan 8.360 nan 0.000 0.450 232 Y N 0.949 121.133 120.300 -0.194 0.000 2.128 232 Y HA -0.267 4.277 4.550 -0.011 0.000 0.284 232 Y C 2.285 178.096 175.900 -0.149 0.000 1.154 232 Y CA 1.928 59.957 58.100 -0.117 0.000 1.149 232 Y CB -0.218 38.229 38.460 -0.022 0.000 0.976 232 Y HN 0.056 nan 8.280 nan 0.000 0.505 233 A N -0.411 122.453 122.820 0.072 0.000 1.902 233 A HA -0.195 4.119 4.320 -0.011 0.000 0.217 233 A C 2.116 179.609 177.584 -0.152 0.000 1.181 233 A CA 2.294 54.347 52.037 0.026 0.000 0.623 233 A CB -1.446 17.626 19.000 0.119 0.000 0.818 233 A HN 0.537 nan 8.150 nan 0.000 0.443 234 V N -2.703 116.977 119.914 -0.390 0.000 3.541 234 V HA 0.066 4.180 4.120 -0.011 0.000 0.267 234 V C 1.477 177.407 176.094 -0.273 0.000 1.213 234 V CA 1.650 63.729 62.300 -0.369 0.000 1.149 234 V CB -0.951 30.509 31.823 -0.606 0.000 0.822 234 V HN 0.642 nan 8.190 nan 0.000 0.462 235 T N -3.214 111.176 114.554 -0.273 0.000 3.215 235 T HA 0.463 4.807 4.350 -0.011 0.000 0.271 235 T C 1.463 176.017 174.700 -0.243 0.000 1.012 235 T CA 0.436 62.398 62.100 -0.230 0.000 0.899 235 T CB -0.056 68.676 68.868 -0.227 0.000 1.089 235 T HN 1.428 nan 8.240 nan 0.000 0.552 236 G N 0.878 109.541 108.800 -0.227 0.000 2.296 236 G HA2 0.048 4.002 3.960 -0.011 0.000 0.282 236 G HA3 0.048 4.002 3.960 -0.011 0.000 0.282 236 G C 1.157 175.817 174.900 -0.401 0.000 1.014 236 G CA 0.471 45.441 45.100 -0.218 0.000 0.812 236 G HN 1.878 nan 8.290 nan 0.000 0.508 237 G N -1.429 106.905 108.800 -0.777 0.000 2.175 237 G HA2 -0.284 3.670 3.960 -0.011 0.000 0.244 237 G HA3 -0.284 3.670 3.960 -0.011 0.000 0.244 237 G C 0.840 175.312 174.900 -0.713 0.000 0.982 237 G CA 1.163 45.371 45.100 -1.487 0.000 0.641 237 G HN 0.744 nan 8.290 nan 0.000 0.527 238 E N -0.074 119.886 120.200 -0.400 0.000 2.150 238 E HA 0.022 4.366 4.350 -0.011 0.000 0.193 238 E C 1.576 178.075 176.600 -0.168 0.000 0.985 238 E CA 1.121 57.391 56.400 -0.218 0.000 0.814 238 E CB 0.063 29.670 29.700 -0.155 0.000 0.752 238 E HN 0.733 nan 8.360 nan 0.000 0.466 239 Q N -1.635 118.052 119.800 -0.189 0.000 3.017 239 Q HA 0.502 4.835 4.340 -0.011 0.000 0.299 239 Q C 0.048 176.028 176.000 -0.034 0.000 1.046 239 Q CA -0.466 55.281 55.803 -0.093 0.000 0.821 239 Q CB 2.021 30.706 28.738 -0.088 0.000 1.481 239 Q HN 0.187 nan 8.270 nan 0.000 0.494 240 G N 0.475 109.291 108.800 0.028 0.000 2.698 240 G HA2 -0.195 3.758 3.960 -0.011 0.000 0.233 240 G HA3 -0.195 3.758 3.960 -0.011 0.000 0.233 240 G C -0.818 174.221 174.900 0.232 0.000 1.352 240 G CA -0.260 44.907 45.100 0.111 0.000 0.879 240 G HN 0.521 nan 8.290 nan 0.000 0.567 241 S N -1.100 114.753 115.700 0.255 0.000 2.570 241 S HA 0.694 5.158 4.470 -0.011 0.000 0.286 241 S C -0.936 173.735 174.600 0.118 0.000 1.099 241 S CA -0.490 57.841 58.200 0.220 0.000 0.913 241 S CB 2.002 65.261 63.200 0.099 0.000 1.085 241 S HN 1.412 nan 8.310 nan 0.000 0.480 242 L N 3.840 125.065 121.223 0.002 0.000 2.345 242 L HA 0.736 5.070 4.340 -0.011 0.000 0.274 242 L C -1.483 175.428 176.870 0.069 0.000 0.999 242 L CA -0.389 54.300 54.840 -0.253 0.000 0.849 242 L CB -0.026 41.749 42.059 -0.474 0.000 1.220 242 L HN 0.640 nan 8.230 nan 0.000 0.422 243 F N 3.039 122.909 119.950 -0.134 0.000 2.640 243 F HA 0.948 5.469 4.527 -0.011 0.000 0.324 243 F C -0.156 175.611 175.800 -0.055 0.000 1.077 243 F CA -1.399 56.559 58.000 -0.070 0.000 0.965 243 F CB 0.753 39.727 39.000 -0.043 0.000 1.351 243 F HN 0.480 nan 8.300 nan 0.000 0.487 244 A N 1.480 124.327 122.820 0.044 0.000 2.404 244 A HA 0.656 4.970 4.320 -0.011 0.000 0.273 244 A C 0.323 177.884 177.584 -0.039 0.000 1.144 244 A CA -0.025 51.988 52.037 -0.040 0.000 0.806 244 A CB -0.796 18.220 19.000 0.028 0.000 1.080 244 A HN 1.404 nan 8.150 nan 0.000 0.509 245 A N 2.636 125.366 122.820 -0.150 0.000 2.406 245 A HA 0.484 4.798 4.320 -0.011 0.000 0.243 245 A C 0.858 178.455 177.584 0.023 0.000 1.082 245 A CA 0.440 52.423 52.037 -0.089 0.000 0.786 245 A CB 0.099 19.026 19.000 -0.120 0.000 1.029 245 A HN 1.404 nan 8.150 nan 0.000 0.495 246 S N -0.029 115.712 115.700 0.068 0.000 2.452 246 S HA 0.305 4.769 4.470 -0.011 0.000 0.284 246 S C 0.557 175.225 174.600 0.113 0.000 1.171 246 S CA -0.571 57.685 58.200 0.094 0.000 1.064 246 S CB 0.235 63.495 63.200 0.100 0.000 0.967 246 S HN 0.589 nan 8.310 nan 0.000 0.484 247 K N 2.604 123.092 120.400 0.146 0.000 2.374 247 K HA 0.093 4.407 4.320 -0.011 0.000 0.196 247 K C -0.123 176.680 176.600 0.338 0.000 1.023 247 K CA -0.193 56.230 56.287 0.226 0.000 1.103 247 K CB 0.144 32.764 32.500 0.199 0.000 0.848 247 K HN 0.591 nan 8.250 nan 0.000 0.528 248 D N 0.942 121.498 120.400 0.260 0.000 2.472 248 D HA -0.033 4.601 4.640 -0.011 0.000 0.248 248 D C 0.473 176.846 176.300 0.122 0.000 1.174 248 D CA 0.061 54.185 54.000 0.205 0.000 0.883 248 D CB 1.129 42.009 40.800 0.134 0.000 1.149 248 D HN 0.208 nan 8.370 nan 0.000 0.488 249 A N 3.076 125.924 122.820 0.047 0.000 2.308 249 A HA 0.059 4.372 4.320 -0.011 0.000 0.217 249 A C 2.121 179.676 177.584 -0.047 0.000 1.216 249 A CA 0.094 52.134 52.037 0.005 0.000 0.864 249 A CB 0.004 18.994 19.000 -0.015 0.000 0.902 249 A HN 0.529 nan 8.150 nan 0.000 0.499 250 S N 1.180 116.854 115.700 -0.045 0.000 2.380 250 S HA -0.290 4.173 4.470 -0.011 0.000 0.229 250 S C 2.116 176.683 174.600 -0.055 0.000 1.043 250 S CA 1.844 60.012 58.200 -0.054 0.000 1.038 250 S CB -0.454 62.724 63.200 -0.036 0.000 0.872 250 S HN 0.883 nan 8.310 nan 0.000 0.456 251 R N 1.679 122.156 120.500 -0.038 0.000 2.139 251 R HA -0.108 4.226 4.340 -0.011 0.000 0.243 251 R C 1.910 178.157 176.300 -0.089 0.000 1.145 251 R CA 1.531 57.599 56.100 -0.053 0.000 0.976 251 R CB -1.007 29.280 30.300 -0.021 0.000 0.866 251 R HN 0.362 nan 8.270 nan 0.000 0.449 252 L N 0.670 121.843 121.223 -0.084 0.000 2.131 252 L HA -0.124 4.209 4.340 -0.011 0.000 0.210 252 L C 2.632 179.462 176.870 -0.065 0.000 1.092 252 L CA 1.413 56.203 54.840 -0.082 0.000 0.759 252 L CB -0.524 41.379 42.059 -0.260 0.000 0.903 252 L HN 0.197 nan 8.230 nan 0.000 0.435 253 K N 1.084 121.436 120.400 -0.081 0.000 1.984 253 K HA -0.220 4.094 4.320 -0.011 0.000 0.209 253 K C 2.016 178.574 176.600 -0.071 0.000 1.046 253 K CA 1.794 58.042 56.287 -0.064 0.000 0.934 253 K CB -0.311 32.150 32.500 -0.065 0.000 0.717 253 K HN 0.262 nan 8.250 nan 0.000 0.438 254 E N 0.042 120.190 120.200 -0.086 0.000 2.085 254 E HA -0.271 4.073 4.350 -0.011 0.000 0.194 254 E C 2.075 178.584 176.600 -0.151 0.000 0.994 254 E CA 1.545 57.888 56.400 -0.095 0.000 0.801 254 E CB -0.028 29.622 29.700 -0.085 0.000 0.743 254 E HN 0.471 nan 8.360 nan 0.000 0.453 255 Q N -1.393 118.253 119.800 -0.257 0.000 2.083 255 Q HA -0.119 4.215 4.340 -0.011 0.000 0.198 255 Q C 0.836 176.462 176.000 -0.623 0.000 0.969 255 Q CA 1.327 56.815 55.803 -0.524 0.000 0.838 255 Q CB 0.240 28.455 28.738 -0.872 0.000 0.900 255 Q HN 0.442 nan 8.270 nan 0.000 0.436 256 Y N -2.187 118.107 120.300 -0.009 0.000 2.563 256 Y HA 0.344 4.887 4.550 -0.011 0.000 0.250 256 Y C 0.943 176.837 175.900 -0.010 0.000 1.126 256 Y CA 0.028 58.134 58.100 0.010 0.000 1.231 256 Y CB 1.091 39.571 38.460 0.035 0.000 1.288 256 Y HN 0.094 nan 8.280 nan 0.000 0.537 257 G N 1.556 110.394 108.800 0.063 0.000 2.221 257 G HA2 -0.302 3.652 3.960 -0.011 0.000 0.265 257 G HA3 -0.302 3.652 3.960 -0.011 0.000 0.265 257 G C -0.131 174.786 174.900 0.027 0.000 1.041 257 G CA 0.137 45.255 45.100 0.031 0.000 0.807 257 G HN 0.352 nan 8.290 nan 0.000 0.502 258 I N 0.515 121.098 120.570 0.022 0.000 2.331 258 I HA 0.253 4.417 4.170 -0.011 0.000 0.292 258 I C 0.405 176.483 176.117 -0.065 0.000 0.998 258 I CA -0.717 60.570 61.300 -0.022 0.000 1.267 258 I CB 1.289 39.252 38.000 -0.062 0.000 1.386 258 I HN 0.195 nan 8.210 nan 0.000 0.476 259 D N 5.958 126.314 120.400 -0.074 0.000 2.390 259 D HA 0.207 4.840 4.640 -0.011 0.000 0.249 259 D C -0.859 175.358 176.300 -0.138 0.000 1.144 259 D CA 0.007 53.948 54.000 -0.097 0.000 0.880 259 D CB 0.981 41.721 40.800 -0.099 0.000 1.182 259 D HN 0.116 nan 8.370 nan 0.000 0.451 260 V N 5.992 125.823 119.914 -0.138 0.000 2.313 260 V HA 0.357 4.470 4.120 -0.011 0.000 0.278 260 V C -1.844 174.149 176.094 -0.168 0.000 1.017 260 V CA -1.467 60.735 62.300 -0.164 0.000 0.823 260 V CB 0.941 32.686 31.823 -0.131 0.000 1.010 260 V HN 0.657 nan 8.190 nan 0.000 0.443 261 P HA 0.156 nan 4.420 nan 0.000 0.272 261 P C -0.394 176.892 177.300 -0.022 0.000 1.230 261 P CA -0.320 62.676 63.100 -0.174 0.000 0.788 261 P CB 0.456 31.938 31.700 -0.363 0.000 0.949 262 D N 0.754 121.156 120.400 0.003 0.000 2.488 262 D HA 0.247 4.881 4.640 -0.011 0.000 0.238 262 D C 1.160 177.456 176.300 -0.007 0.000 1.138 262 D CA 1.567 55.571 54.000 0.007 0.000 0.873 262 D CB -0.191 40.642 40.800 0.055 0.000 1.183 262 D HN 0.654 nan 8.370 nan 0.000 0.458 263 G N 2.257 110.948 108.800 -0.181 0.000 2.147 263 G HA2 -0.247 3.707 3.960 -0.011 0.000 0.244 263 G HA3 -0.247 3.707 3.960 -0.011 0.000 0.244 263 G C -0.111 174.296 174.900 -0.821 0.000 1.005 263 G CA -0.016 44.793 45.100 -0.485 0.000 0.713 263 G HN 0.371 nan 8.290 nan 0.000 0.515 264 F N -0.384 119.103 119.950 -0.772 0.000 2.467 264 F HA 0.789 5.310 4.527 -0.011 0.000 0.336 264 F C 0.263 175.654 175.800 -0.683 0.000 1.123 264 F CA -1.148 56.531 58.000 -0.535 0.000 0.964 264 F CB 1.304 40.120 39.000 -0.306 0.000 1.136 264 F HN -0.008 nan 8.300 nan 0.000 0.447 265 F N 0.796 120.754 119.950 0.012 0.000 2.639 265 F HA 0.601 5.122 4.527 -0.011 0.000 0.339 265 F C 0.130 176.092 175.800 0.271 0.000 1.071 265 F CA -1.229 56.851 58.000 0.134 0.000 0.994 265 F CB 0.618 39.696 39.000 0.130 0.000 1.341 265 F HN 0.256 nan 8.300 nan 0.000 0.498 266 C N 0.832 120.401 119.300 0.448 0.000 2.595 266 C HA 0.276 4.730 4.460 -0.011 0.000 0.384 266 C C 0.366 175.541 174.990 0.309 0.000 1.289 266 C CA -0.744 58.486 59.018 0.354 0.000 2.372 266 C CB -0.058 27.852 27.740 0.283 0.000 2.593 266 C HN 0.670 nan 8.230 nan 0.000 0.639 267 E N 0.593 120.902 120.200 0.183 0.000 2.349 267 E HA 0.217 4.560 4.350 -0.011 0.000 0.265 267 E C 0.045 176.621 176.600 -0.040 0.000 1.064 267 E CA -0.358 56.029 56.400 -0.022 0.000 0.886 267 E CB 0.587 30.270 29.700 -0.028 0.000 1.036 267 E HN 0.474 nan 8.360 nan 0.000 0.413 268 R N 2.313 122.732 120.500 -0.135 0.000 2.442 268 R HA 0.108 4.442 4.340 -0.011 0.000 0.291 268 R C -0.442 175.819 176.300 -0.065 0.000 1.069 268 R CA -0.008 56.037 56.100 -0.092 0.000 1.022 268 R CB 0.518 30.748 30.300 -0.118 0.000 0.976 268 R HN 0.420 nan 8.270 nan 0.000 0.443 269 R N 4.132 124.609 120.500 -0.039 0.000 2.562 269 R HA 0.400 4.733 4.340 -0.011 0.000 0.298 269 R C -0.546 175.768 176.300 0.023 0.000 0.961 269 R CA -0.878 55.218 56.100 -0.008 0.000 0.881 269 R CB 2.137 32.434 30.300 -0.006 0.000 1.159 269 R HN 0.672 nan 8.270 nan 0.000 0.450 270 R N 0.243 120.775 120.500 0.054 0.000 2.803 270 R HA 0.311 4.645 4.340 -0.011 0.000 0.276 270 R C -0.157 176.205 176.300 0.103 0.000 0.978 270 R CA -0.814 55.320 56.100 0.056 0.000 0.939 270 R CB 1.881 32.179 30.300 -0.003 0.000 1.179 270 R HN 0.615 nan 8.270 nan 0.000 0.472 271 T N -0.942 113.646 114.554 0.056 0.000 2.897 271 T HA 0.623 4.966 4.350 -0.011 0.000 0.294 271 T C 0.002 174.615 174.700 -0.145 0.000 1.004 271 T CA -0.643 61.384 62.100 -0.123 0.000 1.106 271 T CB 1.431 70.229 68.868 -0.118 0.000 0.949 271 T HN 0.649 nan 8.240 nan 0.000 0.520 272 A N 3.894 126.585 122.820 -0.214 0.000 2.498 272 A HA 0.794 5.108 4.320 -0.011 0.000 0.298 272 A C -0.509 176.991 177.584 -0.139 0.000 1.075 272 A CA -1.175 50.787 52.037 -0.126 0.000 0.714 272 A CB 1.626 20.593 19.000 -0.055 0.000 1.299 272 A HN 0.888 nan 8.150 nan 0.000 0.407 273 M N 1.664 121.211 119.600 -0.088 0.000 2.326 273 M HA 0.469 4.943 4.480 -0.011 0.000 0.306 273 M C 0.131 176.505 176.300 0.125 0.000 1.054 273 M CA -0.444 54.846 55.300 -0.018 0.000 0.922 273 M CB 2.189 34.691 32.600 -0.163 0.000 1.632 273 M HN 0.867 nan 8.290 nan 0.000 0.436 274 G N 1.415 110.367 108.800 0.254 0.000 2.319 274 G HA2 0.601 4.554 3.960 -0.011 0.000 0.308 274 G HA3 0.601 4.554 3.960 -0.011 0.000 0.308 274 G C -0.013 175.084 174.900 0.328 0.000 1.117 274 G CA -0.433 44.824 45.100 0.262 0.000 0.903 274 G HN 0.860 nan 8.290 nan 0.000 0.436 275 G N 2.254 111.234 108.800 0.300 0.000 2.476 275 G HA2 0.596 4.550 3.960 -0.011 0.000 0.286 275 G HA3 0.596 4.550 3.960 -0.011 0.000 0.286 275 G C -2.291 172.600 174.900 -0.015 0.000 1.177 275 G CA -1.233 43.953 45.100 0.144 0.000 0.870 275 G HN 0.481 nan 8.290 nan 0.000 0.528 276 P HA 0.014 nan 4.420 nan 0.000 0.269 276 P C 0.442 177.750 177.300 0.015 0.000 1.263 276 P CA -0.371 62.660 63.100 -0.114 0.000 0.813 276 P CB 0.720 32.324 31.700 -0.159 0.000 0.868 277 F N 5.034 124.923 119.950 -0.101 0.000 2.147 277 F HA -0.266 4.254 4.527 -0.012 0.000 0.301 277 F C 2.223 178.013 175.800 -0.017 0.000 1.084 277 F CA 1.979 59.953 58.000 -0.043 0.000 1.268 277 F CB -0.785 38.193 39.000 -0.037 0.000 1.009 277 F HN 0.378 nan 8.300 nan 0.000 0.486 278 A N -0.408 122.367 122.820 -0.074 0.000 1.972 278 A HA -0.144 4.170 4.320 -0.011 0.000 0.219 278 A C 2.092 179.588 177.584 -0.146 0.000 1.169 278 A CA 1.645 53.590 52.037 -0.153 0.000 0.635 278 A CB -1.002 17.983 19.000 -0.025 0.000 0.810 278 A HN 0.457 nan 8.150 nan 0.000 0.446 279 L N -0.252 120.918 121.223 -0.087 0.000 2.131 279 L HA 0.022 4.356 4.340 -0.011 0.000 0.206 279 L C 1.649 178.481 176.870 -0.063 0.000 1.087 279 L CA 1.983 56.789 54.840 -0.056 0.000 0.767 279 L CB -0.649 41.377 42.059 -0.056 0.000 0.917 279 L HN 0.264 nan 8.230 nan 0.000 0.441 280 N N 0.223 118.879 118.700 -0.072 0.000 2.188 280 N HA -0.059 4.674 4.740 -0.011 0.000 0.184 280 N C 1.871 177.338 175.510 -0.072 0.000 1.018 280 N CA 1.323 54.369 53.050 -0.007 0.000 0.858 280 N CB -0.430 38.131 38.487 0.123 0.000 0.989 280 N HN 0.493 nan 8.380 nan 0.000 0.426 281 A N 1.801 124.404 122.820 -0.361 0.000 1.859 281 A HA -0.131 4.183 4.320 -0.011 0.000 0.217 281 A C -0.332 177.156 177.584 -0.160 0.000 1.198 281 A CA 1.776 53.568 52.037 -0.408 0.000 0.629 281 A CB -1.701 16.877 19.000 -0.703 0.000 0.830 281 A HN 0.269 nan 8.150 nan 0.000 0.446 282 P HA -0.097 nan 4.420 nan 0.000 0.225 282 P C 1.360 179.004 177.300 0.573 0.000 1.148 282 P CA 0.984 64.130 63.100 0.078 0.000 0.779 282 P CB -0.123 31.742 31.700 0.276 0.000 0.780 283 I N -1.252 119.555 120.570 0.395 0.000 2.339 283 I HA -0.097 4.067 4.170 -0.011 0.000 0.245 283 I C 2.659 179.051 176.117 0.458 0.000 1.096 283 I CA 1.021 62.647 61.300 0.543 0.000 1.408 283 I CB -0.506 37.690 38.000 0.327 0.000 1.092 283 I HN -0.185 nan 8.210 nan 0.000 0.423 284 M N 0.579 120.345 119.600 0.277 0.000 2.202 284 M HA -0.182 4.292 4.480 -0.011 0.000 0.262 284 M C 2.450 178.879 176.300 0.215 0.000 1.063 284 M CA 1.877 57.311 55.300 0.224 0.000 1.097 284 M CB -0.467 32.241 32.600 0.181 0.000 1.382 284 M HN 0.292 nan 8.290 nan 0.000 0.413 285 A N -0.488 122.466 122.820 0.224 0.000 2.024 285 A HA -0.088 4.226 4.320 -0.011 0.000 0.220 285 A C 2.172 179.906 177.584 0.251 0.000 1.164 285 A CA 1.614 53.786 52.037 0.225 0.000 0.643 285 A CB -0.660 18.474 19.000 0.223 0.000 0.806 285 A HN 0.340 nan 8.150 nan 0.000 0.451 286 V N -1.153 118.945 119.914 0.308 0.000 2.685 286 V HA 0.010 4.123 4.120 -0.011 0.000 0.244 286 V C 2.902 179.059 176.094 0.105 0.000 1.054 286 V CA 1.150 63.548 62.300 0.164 0.000 1.076 286 V CB -0.721 31.169 31.823 0.111 0.000 0.725 286 V HN 0.556 nan 8.190 nan 0.000 0.467 287 A N -0.050 122.883 122.820 0.188 0.000 1.908 287 A HA -0.319 3.995 4.320 -0.011 0.000 0.218 287 A C 2.147 179.732 177.584 0.002 0.000 1.181 287 A CA 2.401 54.494 52.037 0.093 0.000 0.627 287 A CB -0.548 18.556 19.000 0.173 0.000 0.818 287 A HN 0.501 nan 8.150 nan 0.000 0.445 288 Q N 0.056 119.883 119.800 0.045 0.000 2.084 288 Q HA -0.067 4.266 4.340 -0.011 0.000 0.202 288 Q C -0.687 175.288 176.000 -0.041 0.000 0.978 288 Q CA 2.199 58.012 55.803 0.017 0.000 0.844 288 Q CB -1.273 27.498 28.738 0.054 0.000 0.898 288 Q HN 0.450 nan 8.270 nan 0.000 0.426 289 P HA -0.133 nan 4.420 nan 0.000 0.216 289 P C 1.220 178.430 177.300 -0.151 0.000 1.150 289 P CA 1.210 64.264 63.100 -0.077 0.000 0.837 289 P CB -0.010 31.656 31.700 -0.057 0.000 0.786 290 V N -0.068 119.713 119.914 -0.222 0.000 2.343 290 V HA -0.259 3.854 4.120 -0.011 0.000 0.247 290 V C 2.439 178.311 176.094 -0.370 0.000 1.051 290 V CA 1.830 63.913 62.300 -0.362 0.000 1.036 290 V CB -0.981 30.493 31.823 -0.582 0.000 0.654 290 V HN 0.091 nan 8.190 nan 0.000 0.451 291 R N 0.284 120.574 120.500 -0.351 0.000 2.083 291 R HA -0.156 4.178 4.340 -0.011 0.000 0.237 291 R C 2.257 178.279 176.300 -0.464 0.000 1.137 291 R CA 1.711 57.476 56.100 -0.558 0.000 0.951 291 R CB -0.572 29.563 30.300 -0.275 0.000 0.851 291 R HN 0.522 nan 8.270 nan 0.000 0.434 292 N N 0.992 119.579 118.700 -0.190 0.000 2.149 292 N HA -0.203 4.531 4.740 -0.011 0.000 0.188 292 N C 1.589 177.020 175.510 -0.131 0.000 1.019 292 N CA 1.239 54.229 53.050 -0.100 0.000 0.857 292 N CB -0.165 38.279 38.487 -0.070 0.000 0.997 292 N HN 0.286 nan 8.380 nan 0.000 0.426 293 K N 1.265 121.565 120.400 -0.166 0.000 2.001 293 K HA -0.042 4.272 4.320 -0.011 0.000 0.208 293 K C 2.150 178.676 176.600 -0.124 0.000 1.048 293 K CA 1.064 57.271 56.287 -0.133 0.000 0.932 293 K CB -0.133 32.305 32.500 -0.103 0.000 0.715 293 K HN 0.264 nan 8.250 nan 0.000 0.437 294 I N -1.677 118.784 120.570 -0.181 0.000 2.493 294 I HA -0.181 3.982 4.170 -0.011 0.000 0.254 294 I C 1.208 177.354 176.117 0.047 0.000 1.160 294 I CA 1.106 62.376 61.300 -0.050 0.000 1.445 294 I CB -0.439 37.340 38.000 -0.369 0.000 1.086 294 I HN 0.062 nan 8.210 nan 0.000 0.433 295 Y N 2.046 122.318 120.300 -0.047 0.000 2.561 295 Y HA -0.000 4.544 4.550 -0.011 0.000 0.291 295 Y C 2.860 178.659 175.900 -0.167 0.000 1.141 295 Y CA 0.252 58.280 58.100 -0.120 0.000 1.303 295 Y CB -0.671 37.613 38.460 -0.293 0.000 1.015 295 Y HN 0.470 nan 8.280 nan 0.000 0.547 296 S N -0.601 115.099 115.700 0.000 0.000 2.583 296 S HA -0.012 4.451 4.470 -0.011 0.000 0.203 296 S C 1.967 176.526 174.600 -0.069 0.000 0.952 296 S CA 0.326 58.498 58.200 -0.046 0.000 0.887 296 S CB -0.396 62.760 63.200 -0.074 0.000 0.857 296 S HN 0.208 nan 8.310 nan 0.000 0.611 297 K N 0.102 120.392 120.400 -0.182 0.000 2.147 297 K HA -0.035 4.278 4.320 -0.011 0.000 0.205 297 K C 0.210 176.547 176.600 -0.438 0.000 1.049 297 K CA 1.146 57.206 56.287 -0.379 0.000 0.936 297 K CB -0.155 31.966 32.500 -0.631 0.000 0.722 297 K HN 0.527 nan 8.250 nan 0.000 0.446 298 Y N -0.343 120.036 120.300 0.132 0.000 2.751 298 Y HA 0.373 4.916 4.550 -0.011 0.000 0.289 298 Y C 1.136 177.115 175.900 0.131 0.000 1.110 298 Y CA -0.513 57.680 58.100 0.155 0.000 1.251 298 Y CB 0.057 38.668 38.460 0.251 0.000 1.178 298 Y HN 0.068 nan 8.280 nan 0.000 0.540 299 A N -0.310 122.630 122.820 0.200 0.000 1.948 299 A HA -0.316 3.998 4.320 -0.011 0.000 0.220 299 A C 1.955 179.602 177.584 0.104 0.000 1.177 299 A CA 1.990 54.134 52.037 0.178 0.000 0.636 299 A CB -0.962 18.124 19.000 0.144 0.000 0.815 299 A HN 0.637 nan 8.150 nan 0.000 0.449 300 Y N 1.418 121.722 120.300 0.007 0.000 2.128 300 Y HA -0.263 4.280 4.550 -0.011 0.000 0.284 300 Y C 2.897 178.750 175.900 -0.078 0.000 1.154 300 Y CA 2.758 60.839 58.100 -0.031 0.000 1.149 300 Y CB -0.417 38.016 38.460 -0.044 0.000 0.976 300 Y HN 0.448 nan 8.280 nan 0.000 0.505 301 T N -3.219 111.306 114.554 -0.048 0.000 3.051 301 T HA 0.011 4.355 4.350 -0.011 0.000 0.255 301 T C 1.352 175.830 174.700 -0.370 0.000 1.085 301 T CA 0.754 62.658 62.100 -0.327 0.000 1.109 301 T CB -0.748 67.697 68.868 -0.706 0.000 0.921 301 T HN 0.309 nan 8.240 nan 0.000 0.488 302 F N 0.025 119.998 119.950 0.039 0.000 2.717 302 F HA 0.382 4.903 4.527 -0.010 0.000 0.297 302 F C 1.263 176.963 175.800 -0.166 0.000 1.113 302 F CA -0.759 57.289 58.000 0.079 0.000 1.319 302 F CB 0.326 39.394 39.000 0.113 0.000 1.097 302 F HN 0.269 nan 8.300 nan 0.000 0.595 303 H N 1.705 120.549 119.070 -0.377 0.000 2.641 303 H HA 0.250 4.799 4.556 -0.010 0.000 0.295 303 H C -0.849 174.056 175.328 -0.705 0.000 1.070 303 H CA -0.495 55.270 56.048 -0.471 0.000 1.257 303 H CB 0.207 29.858 29.762 -0.185 0.000 1.393 303 H HN 0.043 nan 8.280 nan 0.000 0.464 304 H N 3.807 122.761 119.070 -0.194 0.000 2.529 304 H HA 0.139 4.689 4.556 -0.011 0.000 0.348 304 H C 0.482 175.659 175.328 -0.251 0.000 1.079 304 H CA -0.367 55.558 56.048 -0.206 0.000 1.198 304 H CB 2.274 32.017 29.762 -0.031 0.000 1.521 304 H HN 0.763 nan 8.280 nan 0.000 0.514 305 T N -0.722 113.743 114.554 -0.150 0.000 3.426 305 T HA 0.088 4.432 4.350 -0.011 0.000 0.195 305 T C 0.933 175.670 174.700 0.061 0.000 0.963 305 T CA 0.505 62.583 62.100 -0.037 0.000 1.154 305 T CB -0.150 68.585 68.868 -0.222 0.000 1.377 305 T HN 0.548 nan 8.240 nan 0.000 0.342 306 T N -0.069 114.448 114.554 -0.061 0.000 2.884 306 T HA 0.498 4.841 4.350 -0.011 0.000 0.277 306 T C 1.140 175.770 174.700 -0.117 0.000 0.976 306 T CA -0.898 61.165 62.100 -0.062 0.000 0.956 306 T CB 1.539 70.354 68.868 -0.089 0.000 1.113 306 T HN 0.394 nan 8.240 nan 0.000 0.554 307 R N -0.159 120.278 120.500 -0.105 0.000 2.075 307 R HA -0.001 4.333 4.340 -0.011 0.000 0.232 307 R C 2.204 178.459 176.300 -0.075 0.000 1.126 307 R CA 0.812 56.844 56.100 -0.113 0.000 0.963 307 R CB -0.763 29.530 30.300 -0.011 0.000 0.858 307 R HN 0.394 nan 8.270 nan 0.000 0.435 308 L N 1.552 122.742 121.223 -0.054 0.000 2.083 308 L HA -0.133 4.201 4.340 -0.011 0.000 0.209 308 L C 2.121 178.948 176.870 -0.071 0.000 1.083 308 L CA 1.703 56.519 54.840 -0.040 0.000 0.752 308 L CB -1.727 40.303 42.059 -0.047 0.000 0.899 308 L HN 0.266 nan 8.230 nan 0.000 0.433 309 N N 0.640 119.278 118.700 -0.105 0.000 2.149 309 N HA -0.222 4.512 4.740 -0.011 0.000 0.188 309 N C 1.762 177.184 175.510 -0.148 0.000 1.019 309 N CA 1.540 54.515 53.050 -0.124 0.000 0.857 309 N CB 0.096 38.494 38.487 -0.148 0.000 0.997 309 N HN 0.336 nan 8.380 nan 0.000 0.426 310 K N -0.078 120.200 120.400 -0.203 0.000 2.076 310 K HA -0.061 4.253 4.320 -0.011 0.000 0.204 310 K C 1.964 178.486 176.600 -0.130 0.000 1.051 310 K CA 0.986 57.092 56.287 -0.301 0.000 0.949 310 K CB -0.153 31.877 32.500 -0.784 0.000 0.726 310 K HN 0.288 nan 8.250 nan 0.000 0.443 311 E N 1.639 121.876 120.200 0.061 0.000 2.118 311 E HA -0.243 4.101 4.350 -0.011 0.000 0.195 311 E C 1.601 178.172 176.600 -0.048 0.000 0.992 311 E CA 1.342 57.848 56.400 0.177 0.000 0.804 311 E CB 0.147 29.943 29.700 0.161 0.000 0.741 311 E HN 0.274 nan 8.360 nan 0.000 0.458 312 E N -0.031 120.124 120.200 -0.075 0.000 2.153 312 E HA -0.188 4.156 4.350 -0.011 0.000 0.194 312 E C 1.954 178.473 176.600 -0.134 0.000 0.988 312 E CA 1.149 57.498 56.400 -0.085 0.000 0.811 312 E CB 0.134 29.799 29.700 -0.058 0.000 0.746 312 E HN 0.207 nan 8.360 nan 0.000 0.466 313 K N 0.024 120.282 120.400 -0.237 0.000 2.044 313 K HA -0.014 4.299 4.320 -0.011 0.000 0.204 313 K C 2.098 178.216 176.600 -0.803 0.000 1.045 313 K CA 0.869 56.944 56.287 -0.352 0.000 0.951 313 K CB -0.018 32.173 32.500 -0.515 0.000 0.738 313 K HN -0.063 nan 8.250 nan 0.000 0.443 314 V N 2.095 121.430 119.914 -0.965 0.000 2.720 314 V HA -0.217 3.897 4.120 -0.011 0.000 0.256 314 V C 2.146 177.848 176.094 -0.653 0.000 1.082 314 V CA 1.495 63.017 62.300 -1.297 0.000 1.101 314 V CB -0.432 30.965 31.823 -0.711 0.000 0.693 314 V HN 0.218 nan 8.190 nan 0.000 0.479 315 K N 1.047 121.221 120.400 -0.377 0.000 2.026 315 K HA -0.166 4.148 4.320 -0.011 0.000 0.208 315 K C 1.931 178.484 176.600 -0.078 0.000 1.048 315 K CA 1.554 57.736 56.287 -0.175 0.000 0.929 315 K CB -0.298 32.134 32.500 -0.113 0.000 0.713 315 K HN 0.586 nan 8.250 nan 0.000 0.439 316 E N -0.695 119.463 120.200 -0.071 0.000 2.515 316 E HA -0.117 4.226 4.350 -0.011 0.000 0.201 316 E C -0.285 176.500 176.600 0.308 0.000 1.071 316 E CA 0.047 56.511 56.400 0.107 0.000 0.880 316 E CB 0.012 29.806 29.700 0.158 0.000 0.828 316 E HN 0.229 nan 8.360 nan 0.000 0.540 317 W N 0.158 121.501 121.300 0.072 0.000 2.359 317 W HA 0.213 4.866 4.660 -0.011 0.000 0.344 317 W C 1.239 177.821 176.519 0.104 0.000 1.170 317 W CA -1.369 56.029 57.345 0.088 0.000 1.296 317 W CB 0.769 30.278 29.460 0.081 0.000 1.197 317 W HN -0.213 nan 8.180 nan 0.000 0.618 318 S N 0.603 116.521 115.700 0.363 0.000 2.486 318 S HA 0.114 4.578 4.470 -0.011 0.000 0.220 318 S C -0.003 174.755 174.600 0.263 0.000 1.011 318 S CA 0.139 58.500 58.200 0.267 0.000 0.921 318 S CB 0.152 63.491 63.200 0.231 0.000 0.785 318 S HN 0.265 nan 8.310 nan 0.000 0.517 319 L N 0.498 121.900 121.223 0.297 0.000 2.455 319 L HA 0.649 4.982 4.340 -0.011 0.000 0.264 319 L C -1.752 175.327 176.870 0.348 0.000 0.968 319 L CA -0.648 54.312 54.840 0.201 0.000 0.827 319 L CB 1.833 43.842 42.059 -0.084 0.000 1.317 319 L HN 0.097 nan 8.230 nan 0.000 0.407 320 C N 5.306 124.772 119.300 0.276 0.000 2.346 320 C HA 0.832 5.285 4.460 -0.011 0.000 0.326 320 C C -0.931 174.091 174.990 0.055 0.000 1.224 320 C CA -0.430 58.807 59.018 0.366 0.000 1.408 320 C CB 0.556 28.558 27.740 0.436 0.000 2.089 320 C HN 0.617 nan 8.230 nan 0.000 0.456 321 V N 6.371 126.302 119.914 0.028 0.000 2.347 321 V HA 0.607 4.721 4.120 -0.011 0.000 0.280 321 V C 0.728 176.824 176.094 0.004 0.000 1.021 321 V CA -0.212 61.965 62.300 -0.204 0.000 0.847 321 V CB 1.272 32.978 31.823 -0.194 0.000 0.990 321 V HN 1.060 nan 8.190 nan 0.000 0.444 322 A N 4.316 127.176 122.820 0.067 0.000 2.343 322 A HA 0.612 4.925 4.320 -0.011 0.000 0.305 322 A C 0.733 178.425 177.584 0.181 0.000 1.308 322 A CA -0.231 51.896 52.037 0.149 0.000 0.949 322 A CB -0.107 19.027 19.000 0.222 0.000 1.148 322 A HN 0.899 nan 8.150 nan 0.000 0.545 323 T N -0.180 114.443 114.554 0.116 0.000 2.881 323 T HA 0.616 4.960 4.350 -0.011 0.000 0.278 323 T C -0.677 174.133 174.700 0.183 0.000 0.982 323 T CA -0.554 61.643 62.100 0.162 0.000 0.989 323 T CB 1.426 70.367 68.868 0.122 0.000 1.058 323 T HN 0.444 nan 8.240 nan 0.000 0.529 324 D N -0.332 120.189 120.400 0.201 0.000 2.964 324 D HA 0.517 5.151 4.640 -0.011 0.000 0.234 324 D C -1.348 175.075 176.300 0.204 0.000 1.223 324 D CA -0.438 53.667 54.000 0.175 0.000 0.889 324 D CB 2.033 42.892 40.800 0.099 0.000 1.609 324 D HN 0.521 nan 8.370 nan 0.000 0.523 325 V N 1.857 121.905 119.914 0.223 0.000 2.459 325 V HA 0.494 4.608 4.120 -0.011 0.000 0.295 325 V C 0.305 176.524 176.094 0.209 0.000 1.029 325 V CA -0.933 61.508 62.300 0.235 0.000 0.874 325 V CB 1.635 33.646 31.823 0.313 0.000 0.985 325 V HN 0.582 nan 8.190 nan 0.000 0.438 326 S N 3.374 119.185 115.700 0.184 0.000 2.505 326 S HA 0.197 4.661 4.470 -0.011 0.000 0.276 326 S C 0.445 175.268 174.600 0.372 0.000 1.274 326 S CA -0.173 58.161 58.200 0.224 0.000 1.053 326 S CB -0.162 63.156 63.200 0.196 0.000 0.919 326 S HN 0.957 nan 8.310 nan 0.000 0.490 327 D N 3.153 123.733 120.400 0.300 0.000 2.810 327 D HA -0.236 4.398 4.640 -0.011 0.000 0.224 327 D C 0.954 177.472 176.300 0.364 0.000 1.222 327 D CA 0.912 55.075 54.000 0.271 0.000 0.698 327 D CB -1.081 39.825 40.800 0.176 0.000 0.961 327 D HN 0.907 nan 8.370 nan 0.000 0.403 328 H N 0.759 119.974 119.070 0.241 0.000 2.289 328 H HA -0.177 4.373 4.556 -0.011 0.000 0.296 328 H C 1.107 176.581 175.328 0.243 0.000 1.091 328 H CA 2.227 58.429 56.048 0.256 0.000 1.274 328 H CB 0.357 30.240 29.762 0.203 0.000 1.364 328 H HN 0.326 nan 8.280 nan 0.000 0.490 329 D N -0.438 120.129 120.400 0.278 0.000 2.144 329 D HA -0.124 4.510 4.640 -0.011 0.000 0.199 329 D C 2.325 178.650 176.300 0.042 0.000 0.984 329 D CA 2.232 56.310 54.000 0.130 0.000 0.834 329 D CB -0.568 40.282 40.800 0.084 0.000 0.955 329 D HN 0.643 nan 8.370 nan 0.000 0.465 330 T N -2.498 112.061 114.554 0.009 0.000 2.985 330 T HA -0.027 4.316 4.350 -0.011 0.000 0.266 330 T C 1.926 176.575 174.700 -0.085 0.000 1.076 330 T CA 0.359 62.412 62.100 -0.078 0.000 1.135 330 T CB -0.618 68.147 68.868 -0.172 0.000 0.890 330 T HN 0.093 nan 8.240 nan 0.000 0.480 331 F N -0.318 119.644 119.950 0.019 0.000 2.710 331 F HA 0.332 4.853 4.527 -0.010 0.000 0.298 331 F C 0.864 176.629 175.800 -0.059 0.000 1.137 331 F CA -1.344 56.652 58.000 -0.005 0.000 1.444 331 F CB 0.018 39.020 39.000 0.003 0.000 1.111 331 F HN 0.170 nan 8.300 nan 0.000 0.580 332 W N 5.355 126.584 121.300 -0.119 0.000 2.385 332 W HA 0.026 4.679 4.660 -0.010 0.000 0.336 332 W C -2.240 174.126 176.519 -0.255 0.000 1.351 332 W CA -1.807 55.378 57.345 -0.267 0.000 1.295 332 W CB 0.126 29.406 29.460 -0.300 0.000 1.239 332 W HN -0.184 nan 8.180 nan 0.000 0.565 333 P HA 0.100 nan 4.420 nan 0.000 0.287 333 P C 0.610 177.308 177.300 -1.005 0.000 1.294 333 P CA 0.163 62.681 63.100 -0.971 0.000 0.776 333 P CB 1.306 32.063 31.700 -1.573 0.000 0.889 334 G N 4.000 112.574 108.800 -0.376 0.000 2.462 334 G HA2 -0.233 3.721 3.960 -0.011 0.000 0.220 334 G HA3 -0.233 3.721 3.960 -0.011 0.000 0.220 334 G C 1.237 176.033 174.900 -0.173 0.000 1.121 334 G CA -0.030 44.984 45.100 -0.143 0.000 0.758 334 G HN 0.709 nan 8.290 nan 0.000 0.559 335 W N 0.094 121.276 121.300 -0.197 0.000 2.425 335 W HA 0.074 4.727 4.660 -0.011 0.000 0.277 335 W C 1.623 177.972 176.519 -0.284 0.000 1.231 335 W CA 0.351 57.580 57.345 -0.193 0.000 1.248 335 W CB -0.823 28.531 29.460 -0.176 0.000 1.117 335 W HN 0.165 nan 8.180 nan 0.000 0.568 336 L N 2.274 122.984 121.223 -0.854 0.000 2.156 336 L HA -0.058 4.275 4.340 -0.011 0.000 0.208 336 L C 3.007 179.713 176.870 -0.274 0.000 1.095 336 L CA 1.910 56.279 54.840 -0.785 0.000 0.770 336 L CB -0.956 40.216 42.059 -1.478 0.000 0.914 336 L HN -0.042 nan 8.230 nan 0.000 0.439 337 R N -0.363 120.033 120.500 -0.173 0.000 2.080 337 R HA -0.191 4.142 4.340 -0.011 0.000 0.236 337 R C 1.744 178.121 176.300 0.128 0.000 1.137 337 R CA 2.145 58.360 56.100 0.192 0.000 0.943 337 R CB -0.513 29.929 30.300 0.236 0.000 0.846 337 R HN 0.398 nan 8.270 nan 0.000 0.431 338 D N 0.922 121.369 120.400 0.079 0.000 2.144 338 D HA -0.180 4.454 4.640 -0.011 0.000 0.199 338 D C 1.952 178.296 176.300 0.072 0.000 0.984 338 D CA 0.978 55.029 54.000 0.085 0.000 0.834 338 D CB -0.250 40.602 40.800 0.088 0.000 0.955 338 D HN 0.320 nan 8.370 nan 0.000 0.465 339 L N 0.425 121.692 121.223 0.075 0.000 2.056 339 L HA -0.094 4.240 4.340 -0.011 0.000 0.207 339 L C 2.246 179.135 176.870 0.032 0.000 1.078 339 L CA 0.921 55.799 54.840 0.062 0.000 0.749 339 L CB -0.104 42.009 42.059 0.091 0.000 0.901 339 L HN -0.082 nan 8.230 nan 0.000 0.433 340 I N -0.768 119.821 120.570 0.033 0.000 2.226 340 I HA -0.356 3.808 4.170 -0.011 0.000 0.245 340 I C 2.615 178.676 176.117 -0.093 0.000 1.100 340 I CA 1.255 62.543 61.300 -0.021 0.000 1.374 340 I CB -0.490 37.543 38.000 0.055 0.000 1.057 340 I HN 0.428 nan 8.210 nan 0.000 0.413 341 C N 0.509 119.810 119.300 0.002 0.000 2.429 341 C HA -0.205 4.248 4.460 -0.011 0.000 0.277 341 C C 2.596 177.566 174.990 -0.033 0.000 1.262 341 C CA 1.367 60.379 59.018 -0.011 0.000 1.733 341 C CB -1.015 26.773 27.740 0.080 0.000 2.010 341 C HN 0.573 nan 8.230 nan 0.000 0.483 342 D N 0.504 120.902 120.400 -0.004 0.000 2.104 342 D HA -0.182 4.452 4.640 -0.011 0.000 0.194 342 D C 2.084 178.370 176.300 -0.023 0.000 0.994 342 D CA 1.648 55.648 54.000 -0.000 0.000 0.830 342 D CB -0.176 40.634 40.800 0.016 0.000 0.959 342 D HN 0.400 nan 8.370 nan 0.000 0.452 343 E N -0.258 119.917 120.200 -0.042 0.000 2.106 343 E HA -0.069 4.274 4.350 -0.011 0.000 0.192 343 E C 2.166 178.704 176.600 -0.102 0.000 0.984 343 E CA 0.709 57.077 56.400 -0.053 0.000 0.806 343 E CB -0.338 29.336 29.700 -0.042 0.000 0.750 343 E HN 0.401 nan 8.360 nan 0.000 0.458 344 L N -0.133 120.964 121.223 -0.209 0.000 2.042 344 L HA -0.189 4.145 4.340 -0.011 0.000 0.210 344 L C 2.445 179.269 176.870 -0.077 0.000 1.076 344 L CA 0.949 55.599 54.840 -0.317 0.000 0.749 344 L CB -0.404 41.321 42.059 -0.556 0.000 0.893 344 L HN 0.216 nan 8.230 nan 0.000 0.432 345 L N -0.435 120.766 121.223 -0.038 0.000 2.046 345 L HA -0.225 4.108 4.340 -0.011 0.000 0.208 345 L C 2.342 179.228 176.870 0.026 0.000 1.077 345 L CA 1.077 55.928 54.840 0.018 0.000 0.747 345 L CB -0.638 41.431 42.059 0.017 0.000 0.896 345 L HN 0.367 nan 8.230 nan 0.000 0.432 346 N N -0.045 118.662 118.700 0.012 0.000 2.223 346 N HA -0.170 4.564 4.740 -0.011 0.000 0.185 346 N C 1.750 177.280 175.510 0.033 0.000 1.016 346 N CA 1.395 54.456 53.050 0.019 0.000 0.863 346 N CB -0.217 38.278 38.487 0.012 0.000 0.983 346 N HN 0.385 nan 8.380 nan 0.000 0.429 347 M N -0.941 118.688 119.600 0.048 0.000 2.562 347 M HA 0.088 4.562 4.480 -0.011 0.000 0.257 347 M C 0.971 177.330 176.300 0.097 0.000 1.099 347 M CA 0.676 56.028 55.300 0.087 0.000 1.099 347 M CB 0.264 32.946 32.600 0.137 0.000 1.427 347 M HN 0.269 nan 8.290 nan 0.000 0.489 348 G N -0.481 108.369 108.800 0.083 0.000 2.159 348 G HA2 -0.253 3.700 3.960 -0.011 0.000 0.227 348 G HA3 -0.253 3.700 3.960 -0.011 0.000 0.227 348 G C -0.178 174.726 174.900 0.006 0.000 0.986 348 G CA -0.670 44.450 45.100 0.033 0.000 0.651 348 G HN 0.430 nan 8.290 nan 0.000 0.523 349 Y N 1.261 121.492 120.300 -0.115 0.000 2.578 349 Y HA 0.376 4.920 4.550 -0.011 0.000 0.339 349 Y C 1.405 177.189 175.900 -0.194 0.000 1.231 349 Y CA 0.347 58.338 58.100 -0.182 0.000 1.461 349 Y CB 0.752 39.106 38.460 -0.177 0.000 1.323 349 Y HN 0.516 nan 8.280 nan 0.000 0.590 350 A N 6.154 128.830 122.820 -0.240 0.000 2.567 350 A HA 0.046 4.360 4.320 -0.011 0.000 0.240 350 A C -1.734 175.655 177.584 -0.325 0.000 1.053 350 A CA -1.029 50.780 52.037 -0.381 0.000 0.755 350 A CB -0.143 18.312 19.000 -0.909 0.000 0.978 350 A HN 0.653 nan 8.150 nan 0.000 0.507 351 P HA -0.160 nan 4.420 nan 0.000 0.217 351 P C 1.580 178.885 177.300 0.008 0.000 1.150 351 P CA 1.747 64.838 63.100 -0.015 0.000 0.832 351 P CB -0.114 31.628 31.700 0.070 0.000 0.787 352 W N -1.749 119.632 121.300 0.134 0.000 2.363 352 W HA -0.118 4.538 4.660 -0.007 0.000 0.296 352 W C 1.842 178.463 176.519 0.171 0.000 1.212 352 W CA 0.289 57.706 57.345 0.120 0.000 1.260 352 W CB -1.868 27.650 29.460 0.096 0.000 1.131 352 W HN 0.058 nan 8.180 nan 0.000 0.530 353 W N 2.221 123.135 121.300 -0.643 0.000 2.409 353 W HA -0.100 4.554 4.660 -0.011 0.000 0.299 353 W C 2.421 178.898 176.519 -0.069 0.000 1.203 353 W CA 2.646 59.748 57.345 -0.405 0.000 1.298 353 W CB -0.644 28.329 29.460 -0.811 0.000 1.127 353 W HN -0.280 nan 8.180 nan 0.000 0.528 354 V N 1.322 121.278 119.914 0.070 0.000 2.407 354 V HA -0.302 3.812 4.120 -0.011 0.000 0.248 354 V C 2.305 178.387 176.094 -0.019 0.000 1.055 354 V CA 2.251 64.564 62.300 0.023 0.000 1.049 354 V CB -1.038 30.828 31.823 0.072 0.000 0.662 354 V HN 0.045 nan 8.190 nan 0.000 0.455 355 K N 0.402 120.818 120.400 0.027 0.000 2.097 355 K HA -0.086 4.227 4.320 -0.011 0.000 0.206 355 K C 1.880 178.507 176.600 0.045 0.000 1.049 355 K CA 1.497 57.827 56.287 0.071 0.000 0.933 355 K CB -0.540 32.026 32.500 0.111 0.000 0.717 355 K HN 0.418 nan 8.250 nan 0.000 0.442 356 L N -0.626 120.582 121.223 -0.026 0.000 2.046 356 L HA -0.124 4.210 4.340 -0.011 0.000 0.208 356 L C 2.204 178.987 176.870 -0.145 0.000 1.077 356 L CA 1.230 56.035 54.840 -0.059 0.000 0.747 356 L CB -0.462 41.545 42.059 -0.086 0.000 0.896 356 L HN 0.148 nan 8.230 nan 0.000 0.432 357 F N 0.959 120.605 119.950 -0.507 0.000 2.102 357 F HA -0.251 4.270 4.527 -0.011 0.000 0.298 357 F C 2.643 178.330 175.800 -0.189 0.000 1.105 357 F CA 1.981 59.702 58.000 -0.464 0.000 1.239 357 F CB -0.151 38.403 39.000 -0.742 0.000 0.991 357 F HN 0.100 nan 8.300 nan 0.000 0.474 358 E N -0.566 119.652 120.200 0.029 0.000 2.058 358 E HA -0.224 4.120 4.350 -0.011 0.000 0.194 358 E C 1.985 178.562 176.600 -0.039 0.000 0.997 358 E CA 2.034 58.446 56.400 0.019 0.000 0.801 358 E CB -0.299 29.454 29.700 0.090 0.000 0.746 358 E HN 0.395 nan 8.360 nan 0.000 0.450 359 T N 0.449 115.006 114.554 0.004 0.000 2.788 359 T HA -0.174 4.169 4.350 -0.011 0.000 0.268 359 T C 2.028 176.699 174.700 -0.049 0.000 1.044 359 T CA 1.540 63.650 62.100 0.016 0.000 1.139 359 T CB -0.377 68.571 68.868 0.134 0.000 0.867 359 T HN 0.331 nan 8.240 nan 0.000 0.454 360 S N 1.183 116.819 115.700 -0.107 0.000 2.474 360 S HA 0.057 4.521 4.470 -0.011 0.000 0.235 360 S C 1.562 176.134 174.600 -0.046 0.000 0.997 360 S CA 0.621 58.764 58.200 -0.095 0.000 0.949 360 S CB -0.556 62.544 63.200 -0.167 0.000 0.766 360 S HN 0.483 nan 8.310 nan 0.000 0.517 361 L N -0.281 120.856 121.223 -0.143 0.000 2.741 361 L HA 0.410 4.744 4.340 -0.011 0.000 0.237 361 L C 1.178 178.035 176.870 -0.022 0.000 1.178 361 L CA 0.072 54.841 54.840 -0.118 0.000 0.973 361 L CB 0.135 42.074 42.059 -0.200 0.000 1.255 361 L HN 0.200 nan 8.230 nan 0.000 0.498 362 K N -0.764 119.634 120.400 -0.004 0.000 2.554 362 K HA 0.218 4.532 4.320 -0.011 0.000 0.211 362 K C -0.153 176.443 176.600 -0.006 0.000 1.226 362 K CA -0.491 55.791 56.287 -0.007 0.000 1.025 362 K CB 1.081 33.559 32.500 -0.037 0.000 1.021 362 K HN -0.040 nan 8.250 nan 0.000 0.600 363 L N 2.842 124.089 121.223 0.039 0.000 2.485 363 L HA 0.096 4.429 4.340 -0.011 0.000 0.275 363 L C -2.323 174.597 176.870 0.084 0.000 1.207 363 L CA -1.489 53.363 54.840 0.020 0.000 0.855 363 L CB 0.164 42.197 42.059 -0.043 0.000 1.114 363 L HN -0.102 nan 8.230 nan 0.000 0.485 364 P HA 0.168 nan 4.420 nan 0.000 0.271 364 P C -1.536 175.853 177.300 0.149 0.000 1.233 364 P CA -0.182 62.967 63.100 0.082 0.000 0.789 364 P CB 0.683 32.414 31.700 0.052 0.000 0.951 365 V N -0.973 119.049 119.914 0.181 0.000 2.638 365 V HA 0.501 4.614 4.120 -0.011 0.000 0.306 365 V C -1.387 174.845 176.094 0.231 0.000 1.052 365 V CA -1.030 61.396 62.300 0.210 0.000 0.885 365 V CB 1.551 33.464 31.823 0.150 0.000 0.999 365 V HN 0.401 nan 8.190 nan 0.000 0.424 366 Y N 4.170 124.554 120.300 0.140 0.000 2.341 366 Y HA 0.698 5.243 4.550 -0.008 0.000 0.340 366 Y C -0.173 175.745 175.900 0.030 0.000 0.997 366 Y CA -0.539 57.663 58.100 0.170 0.000 1.149 366 Y CB 1.567 40.211 38.460 0.306 0.000 1.171 366 Y HN 0.681 nan 8.280 nan 0.000 0.494 367 V N 8.018 127.630 119.914 -0.504 0.000 2.406 367 V HA 0.277 4.391 4.120 -0.011 0.000 0.272 367 V C 0.843 176.495 176.094 -0.737 0.000 1.043 367 V CA 0.528 62.495 62.300 -0.554 0.000 0.915 367 V CB 0.731 32.196 31.823 -0.596 0.000 0.988 367 V HN 1.095 nan 8.190 nan 0.000 0.466 368 G N 3.792 112.293 108.800 -0.498 0.000 2.583 368 G HA2 0.377 4.331 3.960 -0.011 0.000 0.215 368 G HA3 0.377 4.331 3.960 -0.011 0.000 0.215 368 G C 0.336 174.937 174.900 -0.498 0.000 1.481 368 G CA 0.586 45.460 45.100 -0.376 0.000 0.948 368 G HN 1.059 nan 8.290 nan 0.000 0.511 369 A N -0.103 122.607 122.820 -0.182 0.000 2.855 369 A HA 0.669 4.982 4.320 -0.011 0.000 0.313 369 A C -2.018 175.549 177.584 -0.027 0.000 1.173 369 A CA -0.804 51.165 52.037 -0.113 0.000 0.753 369 A CB 1.541 20.583 19.000 0.069 0.000 1.200 369 A HN 0.161 nan 8.150 nan 0.000 0.442 370 P HA 0.181 nan 4.420 nan 0.000 0.226 370 P C 0.469 177.627 177.300 -0.237 0.000 1.153 370 P CA 1.675 64.434 63.100 -0.569 0.000 0.777 370 P CB 0.409 31.729 31.700 -0.633 0.000 0.794 371 A N -2.671 120.099 122.820 -0.083 0.000 2.544 371 A HA 0.550 4.864 4.320 -0.011 0.000 0.291 371 A C -3.127 174.288 177.584 -0.282 0.000 1.055 371 A CA -1.371 50.478 52.037 -0.314 0.000 0.651 371 A CB 0.051 18.914 19.000 -0.229 0.000 1.296 371 A HN -0.314 nan 8.150 nan 0.000 0.431 372 P HA 0.377 nan 4.420 nan 0.000 0.265 372 P C -0.232 177.048 177.300 -0.032 0.000 1.193 372 P CA 1.173 64.160 63.100 -0.187 0.000 0.765 372 P CB 0.449 32.003 31.700 -0.245 0.000 0.823 373 E N -0.546 119.695 120.200 0.069 0.000 2.971 373 E HA -0.246 4.098 4.350 -0.011 0.000 0.278 373 E C -0.488 176.176 176.600 0.106 0.000 1.009 373 E CA 1.262 57.711 56.400 0.081 0.000 0.862 373 E CB -1.718 28.005 29.700 0.037 0.000 1.436 373 E HN 0.554 nan 8.360 nan 0.000 0.434 374 Q N -1.521 118.357 119.800 0.129 0.000 2.389 374 Q HA 0.641 4.975 4.340 -0.011 0.000 0.277 374 Q C 0.376 176.437 176.000 0.100 0.000 1.082 374 Q CA -0.384 55.519 55.803 0.166 0.000 0.810 374 Q CB 2.334 31.179 28.738 0.178 0.000 1.374 374 Q HN 0.267 nan 8.270 nan 0.000 0.422 375 G N 0.571 109.471 108.800 0.167 0.000 2.378 375 G HA2 -0.169 3.785 3.960 -0.011 0.000 0.198 375 G HA3 -0.169 3.785 3.960 -0.011 0.000 0.198 375 G C -0.961 173.869 174.900 -0.117 0.000 1.223 375 G CA -0.420 44.577 45.100 -0.172 0.000 1.088 375 G HN 0.877 nan 8.290 nan 0.000 0.530 376 H N -0.525 118.477 119.070 -0.113 0.000 2.677 376 H HA -0.119 4.431 4.556 -0.011 0.000 0.321 376 H C -0.002 175.295 175.328 -0.053 0.000 1.171 376 H CA 1.586 57.591 56.048 -0.072 0.000 1.139 376 H CB -2.494 27.338 29.762 0.116 0.000 1.515 376 H HN 0.936 nan 8.280 nan 0.000 0.423 377 T N 1.388 115.804 114.554 -0.230 0.000 2.916 377 T HA 0.405 4.749 4.350 -0.011 0.000 0.298 377 T C 0.049 174.772 174.700 0.038 0.000 1.031 377 T CA -0.832 61.309 62.100 0.069 0.000 0.993 377 T CB 2.386 71.413 68.868 0.264 0.000 1.045 377 T HN 0.217 nan 8.240 nan 0.000 0.454 378 L N 4.414 125.827 121.223 0.317 0.000 2.265 378 L HA 0.594 4.927 4.340 -0.011 0.000 0.288 378 L C -1.157 175.944 176.870 0.385 0.000 1.058 378 L CA -0.348 54.742 54.840 0.418 0.000 0.809 378 L CB 0.129 42.513 42.059 0.541 0.000 1.179 378 L HN 0.577 nan 8.230 nan 0.000 0.429 379 L N 6.365 127.772 121.223 0.307 0.000 2.272 379 L HA 0.823 5.157 4.340 -0.011 0.000 0.289 379 L C 0.629 177.629 176.870 0.217 0.000 1.032 379 L CA -0.354 54.635 54.840 0.249 0.000 0.810 379 L CB 0.857 43.051 42.059 0.226 0.000 1.205 379 L HN 0.923 nan 8.230 nan 0.000 0.422 380 G N 2.186 111.111 108.800 0.208 0.000 2.663 380 G HA2 -0.154 3.800 3.960 -0.011 0.000 0.686 380 G HA3 -0.154 3.800 3.960 -0.011 0.000 0.686 380 G C -1.427 173.656 174.900 0.305 0.000 1.246 380 G CA -0.875 44.337 45.100 0.186 0.000 0.795 380 G HN 0.649 nan 8.290 nan 0.000 0.627 381 D N 1.562 122.088 120.400 0.211 0.000 2.329 381 D HA 0.565 5.199 4.640 -0.011 0.000 0.232 381 D C -1.028 175.249 176.300 -0.038 0.000 1.088 381 D CA -2.266 51.823 54.000 0.148 0.000 0.835 381 D CB 1.791 42.692 40.800 0.167 0.000 1.078 381 D HN 0.013 nan 8.370 nan 0.000 0.495 382 P HA -0.053 nan 4.420 nan 0.000 0.222 382 P C 1.086 178.301 177.300 -0.143 0.000 1.147 382 P CA 0.676 63.667 63.100 -0.181 0.000 0.790 382 P CB 0.372 31.904 31.700 -0.280 0.000 0.780 383 S N -1.516 114.130 115.700 -0.089 0.000 2.447 383 S HA -0.060 4.404 4.470 -0.011 0.000 0.233 383 S C 0.980 175.568 174.600 -0.020 0.000 1.006 383 S CA 0.860 59.063 58.200 0.006 0.000 0.957 383 S CB -0.516 62.696 63.200 0.019 0.000 0.773 383 S HN 0.169 nan 8.310 nan 0.000 0.507 384 N N 0.914 119.509 118.700 -0.175 0.000 2.751 384 N HA 0.245 4.978 4.740 -0.011 0.000 0.238 384 N C -3.395 171.891 175.510 -0.373 0.000 1.351 384 N CA -1.202 51.657 53.050 -0.320 0.000 0.751 384 N CB 1.240 39.677 38.487 -0.084 0.000 1.342 384 N HN -0.052 nan 8.380 nan 0.000 0.540 385 P HA 0.064 nan 4.420 nan 0.000 0.257 385 P C -0.238 176.926 177.300 -0.226 0.000 1.189 385 P CA 0.436 63.314 63.100 -0.370 0.000 0.780 385 P CB 0.330 31.763 31.700 -0.445 0.000 0.772 386 D N 1.916 122.248 120.400 -0.112 0.000 2.740 386 D HA 0.092 4.726 4.640 -0.011 0.000 0.305 386 D C -0.221 176.067 176.300 -0.019 0.000 1.583 386 D CA -0.167 53.799 54.000 -0.056 0.000 0.790 386 D CB -0.675 40.100 40.800 -0.042 0.000 1.187 386 D HN 0.021 nan 8.370 nan 0.000 0.447 387 L N 0.764 121.981 121.223 -0.011 0.000 2.466 387 L HA 0.377 4.711 4.340 -0.011 0.000 0.257 387 L C 0.813 177.692 176.870 0.015 0.000 1.189 387 L CA 0.515 55.361 54.840 0.010 0.000 0.813 387 L CB 0.685 42.762 42.059 0.030 0.000 1.118 387 L HN -0.001 nan 8.230 nan 0.000 0.471 388 E N 1.160 121.370 120.200 0.017 0.000 3.935 388 E HA 0.115 4.459 4.350 -0.011 0.000 0.226 388 E C 0.634 177.247 176.600 0.020 0.000 1.220 388 E CA 0.049 56.464 56.400 0.026 0.000 1.226 388 E CB 0.841 30.555 29.700 0.024 0.000 1.237 388 E HN 0.482 nan 8.360 nan 0.000 0.417 389 V N -1.714 118.207 119.914 0.011 0.000 3.380 389 V HA 0.277 4.391 4.120 -0.011 0.000 0.268 389 V C 1.027 177.116 176.094 -0.009 0.000 1.168 389 V CA 1.265 63.560 62.300 -0.008 0.000 1.156 389 V CB -0.482 31.321 31.823 -0.032 0.000 0.785 389 V HN 0.496 nan 8.190 nan 0.000 0.487 390 G N 0.233 109.057 108.800 0.040 0.000 2.826 390 G HA2 -0.167 3.787 3.960 -0.011 0.000 0.233 390 G HA3 -0.167 3.787 3.960 -0.011 0.000 0.233 390 G C -0.566 174.358 174.900 0.040 0.000 1.296 390 G CA -0.086 45.086 45.100 0.119 0.000 1.001 390 G HN 0.521 nan 8.290 nan 0.000 0.576 391 L N 1.796 122.944 121.223 -0.125 0.000 2.287 391 L HA 0.599 4.933 4.340 -0.011 0.000 0.287 391 L C 0.187 176.860 176.870 -0.327 0.000 1.022 391 L CA -0.570 54.021 54.840 -0.415 0.000 0.814 391 L CB 1.636 43.349 42.059 -0.577 0.000 1.217 391 L HN 0.561 nan 8.230 nan 0.000 0.420 392 S N 1.138 116.587 115.700 -0.418 0.000 2.499 392 S HA 0.032 4.496 4.470 -0.011 0.000 0.275 392 S C 1.219 175.565 174.600 -0.423 0.000 1.257 392 S CA -0.296 57.577 58.200 -0.545 0.000 1.050 392 S CB 1.555 64.082 63.200 -1.121 0.000 0.937 392 S HN 0.824 nan 8.310 nan 0.000 0.490 393 S N 3.063 118.582 115.700 -0.302 0.000 2.400 393 S HA -0.086 4.378 4.470 -0.011 0.000 0.232 393 S C 1.640 176.171 174.600 -0.115 0.000 1.025 393 S CA 0.939 59.037 58.200 -0.170 0.000 0.993 393 S CB -0.530 62.608 63.200 -0.105 0.000 0.808 393 S HN 0.814 nan 8.310 nan 0.000 0.478 394 G N 0.805 109.527 108.800 -0.130 0.000 3.181 394 G HA2 0.144 4.097 3.960 -0.011 0.000 0.219 394 G HA3 0.144 4.097 3.960 -0.011 0.000 0.219 394 G C 0.294 175.295 174.900 0.169 0.000 1.182 394 G CA -0.426 44.712 45.100 0.064 0.000 0.791 394 G HN 0.474 nan 8.290 nan 0.000 0.537 395 Q N 0.456 120.272 119.800 0.026 0.000 2.373 395 Q HA 0.187 4.521 4.340 -0.011 0.000 0.255 395 Q C 1.601 177.649 176.000 0.080 0.000 0.980 395 Q CA 0.221 56.078 55.803 0.091 0.000 0.882 395 Q CB 1.338 30.020 28.738 -0.092 0.000 1.249 395 Q HN 0.123 nan 8.270 nan 0.000 0.438 396 G N 2.359 111.228 108.800 0.114 0.000 2.501 396 G HA2 -0.127 3.827 3.960 -0.011 0.000 0.220 396 G HA3 -0.127 3.827 3.960 -0.011 0.000 0.220 396 G C 0.619 175.619 174.900 0.168 0.000 1.114 396 G CA 0.847 46.042 45.100 0.158 0.000 0.757 396 G HN 0.613 nan 8.290 nan 0.000 0.559 397 A N -0.033 122.875 122.820 0.146 0.000 2.610 397 A HA 0.464 4.777 4.320 -0.011 0.000 0.290 397 A C 1.843 179.468 177.584 0.068 0.000 1.001 397 A CA 0.953 53.093 52.037 0.172 0.000 1.004 397 A CB -0.387 18.837 19.000 0.374 0.000 1.220 397 A HN 0.281 nan 8.150 nan 0.000 0.507 398 T N -0.665 113.879 114.554 -0.016 0.000 2.699 398 T HA -0.261 4.083 4.350 -0.011 0.000 0.268 398 T C 1.536 176.209 174.700 -0.045 0.000 1.036 398 T CA 1.819 63.856 62.100 -0.104 0.000 1.147 398 T CB -0.568 68.228 68.868 -0.119 0.000 0.862 398 T HN 0.580 nan 8.240 nan 0.000 0.446 399 D N 2.181 122.590 120.400 0.014 0.000 2.104 399 D HA -0.135 4.498 4.640 -0.011 0.000 0.194 399 D C 2.204 178.530 176.300 0.043 0.000 0.994 399 D CA 1.068 55.091 54.000 0.038 0.000 0.830 399 D CB -0.782 40.061 40.800 0.072 0.000 0.959 399 D HN 0.468 nan 8.370 nan 0.000 0.452 400 L N -0.646 120.602 121.223 0.043 0.000 2.141 400 L HA -0.093 4.240 4.340 -0.011 0.000 0.209 400 L C 2.799 179.758 176.870 0.148 0.000 1.094 400 L CA 0.673 55.537 54.840 0.040 0.000 0.763 400 L CB -0.385 41.699 42.059 0.041 0.000 0.908 400 L HN -0.031 nan 8.230 nan 0.000 0.437 401 M N -0.337 119.355 119.600 0.152 0.000 2.132 401 M HA -0.067 4.407 4.480 -0.011 0.000 0.263 401 M C 2.384 178.913 176.300 0.381 0.000 1.065 401 M CA 1.771 57.207 55.300 0.226 0.000 1.122 401 M CB -1.692 30.790 32.600 -0.197 0.000 1.365 401 M HN 0.291 nan 8.290 nan 0.000 0.411 402 G N -0.463 108.478 108.800 0.234 0.000 2.402 402 G HA2 -0.159 3.795 3.960 -0.011 0.000 0.216 402 G HA3 -0.159 3.795 3.960 -0.011 0.000 0.216 402 G C 1.567 176.682 174.900 0.358 0.000 1.162 402 G CA 1.318 46.666 45.100 0.414 0.000 0.777 402 G HN 0.391 nan 8.290 nan 0.000 0.539 403 T N 1.369 116.056 114.554 0.221 0.000 2.746 403 T HA -0.108 4.236 4.350 -0.011 0.000 0.267 403 T C 2.204 177.066 174.700 0.270 0.000 1.039 403 T CA 1.079 63.306 62.100 0.210 0.000 1.142 403 T CB -0.236 68.642 68.868 0.016 0.000 0.866 403 T HN 0.103 nan 8.240 nan 0.000 0.444 404 L N 1.627 123.011 121.223 0.269 0.000 1.989 404 L HA 0.008 4.341 4.340 -0.011 0.000 0.211 404 L C 2.238 179.361 176.870 0.421 0.000 1.071 404 L CA 1.706 56.765 54.840 0.365 0.000 0.749 404 L CB -1.578 40.708 42.059 0.378 0.000 0.890 404 L HN 0.251 nan 8.230 nan 0.000 0.431 405 L N -0.444 121.022 121.223 0.406 0.000 1.970 405 L HA -0.233 4.101 4.340 -0.011 0.000 0.212 405 L C 2.410 179.448 176.870 0.279 0.000 1.071 405 L CA 2.158 57.183 54.840 0.307 0.000 0.751 405 L CB -0.644 41.543 42.059 0.215 0.000 0.889 405 L HN 0.233 nan 8.230 nan 0.000 0.432 406 M N -0.959 118.787 119.600 0.244 0.000 2.175 406 M HA -0.133 4.341 4.480 -0.011 0.000 0.264 406 M C 2.618 178.850 176.300 -0.114 0.000 1.063 406 M CA 1.803 57.073 55.300 -0.049 0.000 1.119 406 M CB -1.810 30.821 32.600 0.051 0.000 1.377 406 M HN 0.511 nan 8.290 nan 0.000 0.415 407 S N 0.684 116.582 115.700 0.329 0.000 2.356 407 S HA -0.091 4.373 4.470 -0.011 0.000 0.223 407 S C 1.863 176.726 174.600 0.438 0.000 1.032 407 S CA 0.977 59.517 58.200 0.567 0.000 1.005 407 S CB 0.001 63.674 63.200 0.789 0.000 0.867 407 S HN 0.278 nan 8.310 nan 0.000 0.449 408 I N 1.525 122.271 120.570 0.293 0.000 2.315 408 I HA -0.072 4.091 4.170 -0.011 0.000 0.248 408 I C 2.466 178.558 176.117 -0.042 0.000 1.117 408 I CA 1.292 62.594 61.300 0.003 0.000 1.404 408 I CB -2.115 35.673 38.000 -0.353 0.000 1.071 408 I HN 0.308 nan 8.210 nan 0.000 0.419 409 T N 0.701 115.285 114.554 0.049 0.000 2.720 409 T HA -0.198 4.145 4.350 -0.011 0.000 0.268 409 T C 1.880 176.655 174.700 0.125 0.000 1.037 409 T CA 1.566 63.738 62.100 0.119 0.000 1.144 409 T CB -0.330 68.575 68.868 0.062 0.000 0.864 409 T HN 0.177 nan 8.240 nan 0.000 0.444 410 Y N 0.864 121.306 120.300 0.238 0.000 2.200 410 Y HA 0.070 4.613 4.550 -0.010 0.000 0.290 410 Y C 2.163 178.150 175.900 0.145 0.000 1.137 410 Y CA -0.159 58.064 58.100 0.206 0.000 1.163 410 Y CB -1.075 37.511 38.460 0.211 0.000 0.988 410 Y HN 0.110 nan 8.280 nan 0.000 0.518 411 L N -0.434 120.931 121.223 0.238 0.000 2.012 411 L HA -0.152 4.181 4.340 -0.011 0.000 0.210 411 L C 2.179 179.039 176.870 -0.016 0.000 1.073 411 L CA 1.509 56.331 54.840 -0.030 0.000 0.748 411 L CB -0.986 40.915 42.059 -0.264 0.000 0.891 411 L HN 0.042 nan 8.230 nan 0.000 0.431 412 V N -0.443 119.485 119.914 0.024 0.000 2.407 412 V HA -0.344 3.770 4.120 -0.011 0.000 0.248 412 V C 2.632 178.797 176.094 0.119 0.000 1.055 412 V CA 2.225 64.552 62.300 0.045 0.000 1.049 412 V CB -0.504 31.388 31.823 0.115 0.000 0.662 412 V HN 0.497 nan 8.190 nan 0.000 0.455 413 M N -0.985 118.748 119.600 0.221 0.000 2.086 413 M HA -0.260 4.214 4.480 -0.011 0.000 0.261 413 M C 2.386 178.908 176.300 0.370 0.000 1.067 413 M CA 1.952 57.459 55.300 0.345 0.000 1.116 413 M CB -0.310 32.516 32.600 0.376 0.000 1.348 413 M HN 0.371 nan 8.290 nan 0.000 0.407 414 Q N -0.085 119.884 119.800 0.283 0.000 2.084 414 Q HA -0.152 4.182 4.340 -0.011 0.000 0.202 414 Q C 2.055 178.172 176.000 0.195 0.000 0.978 414 Q CA 1.280 57.267 55.803 0.307 0.000 0.844 414 Q CB -0.190 28.627 28.738 0.131 0.000 0.898 414 Q HN 0.527 nan 8.270 nan 0.000 0.426 415 L N 0.661 121.918 121.223 0.056 0.000 1.994 415 L HA -0.225 4.109 4.340 -0.011 0.000 0.208 415 L C 1.955 178.804 176.870 -0.035 0.000 1.071 415 L CA 1.057 55.873 54.840 -0.040 0.000 0.745 415 L CB -0.467 41.522 42.059 -0.117 0.000 0.892 415 L HN 0.196 nan 8.230 nan 0.000 0.431 416 D N -0.872 119.499 120.400 -0.049 0.000 2.104 416 D HA -0.181 4.452 4.640 -0.011 0.000 0.194 416 D C 2.013 178.151 176.300 -0.270 0.000 0.994 416 D CA 1.404 55.285 54.000 -0.199 0.000 0.830 416 D CB -0.111 40.494 40.800 -0.324 0.000 0.959 416 D HN 0.439 nan 8.370 nan 0.000 0.452 417 H N -1.797 117.323 119.070 0.083 0.000 2.622 417 H HA 0.181 4.730 4.556 -0.011 0.000 0.269 417 H C 1.485 176.870 175.328 0.095 0.000 0.977 417 H CA 1.263 57.361 56.048 0.083 0.000 1.179 417 H CB 0.981 30.798 29.762 0.092 0.000 1.458 417 H HN 0.259 nan 8.280 nan 0.000 0.531 418 T N -3.346 111.349 114.554 0.235 0.000 3.098 418 T HA 0.329 4.673 4.350 -0.011 0.000 0.256 418 T C 1.120 175.960 174.700 0.233 0.000 0.921 418 T CA 0.306 62.552 62.100 0.243 0.000 0.916 418 T CB 0.065 69.163 68.868 0.383 0.000 1.246 418 T HN 0.126 nan 8.240 nan 0.000 0.511 419 A N 2.780 125.666 122.820 0.110 0.000 3.113 419 A HA 0.606 4.919 4.320 -0.011 0.000 0.307 419 A C -1.309 176.093 177.584 -0.304 0.000 1.025 419 A CA -1.166 50.769 52.037 -0.169 0.000 1.012 419 A CB 0.391 19.236 19.000 -0.258 0.000 1.085 419 A HN 0.351 nan 8.150 nan 0.000 0.519 420 P HA -0.241 nan 4.420 nan 0.000 0.219 420 P C 1.015 178.263 177.300 -0.086 0.000 1.146 420 P CA 1.435 64.492 63.100 -0.072 0.000 0.808 420 P CB -0.334 31.369 31.700 0.006 0.000 0.779 421 H N -0.682 118.374 119.070 -0.023 0.000 2.545 421 H HA 0.064 4.614 4.556 -0.010 0.000 0.282 421 H C 1.695 176.989 175.328 -0.056 0.000 1.020 421 H CA 0.458 56.490 56.048 -0.027 0.000 1.243 421 H CB -1.067 28.696 29.762 0.002 0.000 1.377 421 H HN 0.214 nan 8.280 nan 0.000 0.581 422 L N 0.353 121.326 121.223 -0.417 0.000 2.529 422 L HA 0.001 4.335 4.340 -0.011 0.000 0.223 422 L C 1.749 178.372 176.870 -0.412 0.000 1.113 422 L CA -0.047 54.569 54.840 -0.373 0.000 0.861 422 L CB -0.185 41.616 42.059 -0.429 0.000 1.012 422 L HN 0.095 nan 8.230 nan 0.000 0.461 423 N N 0.574 119.088 118.700 -0.310 0.000 2.137 423 N HA -0.196 4.538 4.740 -0.011 0.000 0.190 423 N C 2.065 177.435 175.510 -0.234 0.000 1.017 423 N CA 1.851 54.735 53.050 -0.278 0.000 0.859 423 N CB -0.311 38.068 38.487 -0.180 0.000 1.002 423 N HN 0.362 nan 8.380 nan 0.000 0.428 424 S N 0.470 116.071 115.700 -0.164 0.000 2.500 424 S HA -0.008 4.456 4.470 -0.011 0.000 0.239 424 S C 1.563 176.084 174.600 -0.132 0.000 0.989 424 S CA 0.442 58.573 58.200 -0.116 0.000 0.951 424 S CB -0.052 63.110 63.200 -0.063 0.000 0.759 424 S HN 0.207 nan 8.310 nan 0.000 0.523 425 R N 0.601 120.974 120.500 -0.212 0.000 2.276 425 R HA 0.289 4.623 4.340 -0.011 0.000 0.203 425 R C 0.142 176.318 176.300 -0.207 0.000 1.017 425 R CA 0.435 56.417 56.100 -0.196 0.000 1.010 425 R CB -0.377 29.752 30.300 -0.285 0.000 0.900 425 R HN 0.514 nan 8.270 nan 0.000 0.469 426 I N 1.203 121.617 120.570 -0.259 0.000 2.503 426 I HA 0.172 4.336 4.170 -0.011 0.000 0.277 426 I C 0.779 176.820 176.117 -0.126 0.000 1.078 426 I CA -0.053 61.128 61.300 -0.198 0.000 1.184 426 I CB 1.287 39.118 38.000 -0.281 0.000 1.353 426 I HN -0.193 nan 8.210 nan 0.000 0.490 427 K N 2.497 122.849 120.400 -0.080 0.000 2.367 427 K HA 0.159 4.473 4.320 -0.011 0.000 0.195 427 K C -0.387 176.189 176.600 -0.040 0.000 1.060 427 K CA 0.273 56.525 56.287 -0.058 0.000 1.022 427 K CB 0.495 32.969 32.500 -0.044 0.000 0.894 427 K HN 0.683 nan 8.250 nan 0.000 0.540 428 D N -2.434 117.946 120.400 -0.033 0.000 2.792 428 D HA 0.053 4.686 4.640 -0.011 0.000 0.335 428 D C 0.624 176.916 176.300 -0.015 0.000 1.353 428 D CA -0.691 53.296 54.000 -0.021 0.000 0.839 428 D CB 0.032 40.824 40.800 -0.013 0.000 1.396 428 D HN -0.364 nan 8.370 nan 0.000 0.479 429 M N -0.646 118.951 119.600 -0.006 0.000 2.065 429 M HA 0.020 4.493 4.480 -0.011 0.000 0.259 429 M C -0.981 175.322 176.300 0.005 0.000 1.069 429 M CA 1.770 57.070 55.300 0.000 0.000 1.110 429 M CB -2.409 30.196 32.600 0.008 0.000 1.328 429 M HN 0.374 nan 8.290 nan 0.000 0.405 430 P HA -0.112 nan 4.420 nan 0.000 0.215 430 P C 1.680 178.993 177.300 0.021 0.000 1.157 430 P CA 2.191 65.302 63.100 0.018 0.000 0.868 430 P CB -0.226 31.484 31.700 0.017 0.000 0.788 431 S N -0.835 114.874 115.700 0.014 0.000 2.406 431 S HA -0.045 4.419 4.470 -0.011 0.000 0.228 431 S C 2.099 176.720 174.600 0.035 0.000 1.020 431 S CA 0.990 59.203 58.200 0.022 0.000 0.965 431 S CB -1.405 61.794 63.200 -0.000 0.000 0.798 431 S HN 0.097 nan 8.310 nan 0.000 0.488 432 A N 1.196 124.021 122.820 0.007 0.000 1.877 432 A HA -0.060 4.254 4.320 -0.011 0.000 0.216 432 A C 2.498 180.087 177.584 0.008 0.000 1.186 432 A CA 1.499 53.538 52.037 0.004 0.000 0.620 432 A CB -1.556 17.424 19.000 -0.033 0.000 0.822 432 A HN 0.679 nan 8.150 nan 0.000 0.443 433 C N -1.018 118.277 119.300 -0.007 0.000 2.413 433 C HA -0.095 4.358 4.460 -0.011 0.000 0.276 433 C C 2.884 177.870 174.990 -0.008 0.000 1.248 433 C CA 1.165 60.169 59.018 -0.023 0.000 1.742 433 C CB -1.371 26.377 27.740 0.012 0.000 2.017 433 C HN 0.587 nan 8.230 nan 0.000 0.481 434 R N -0.481 120.041 120.500 0.036 0.000 2.081 434 R HA -0.120 4.214 4.340 -0.011 0.000 0.235 434 R C 2.103 178.433 176.300 0.050 0.000 1.131 434 R CA 1.693 57.825 56.100 0.054 0.000 0.960 434 R CB -0.556 29.785 30.300 0.070 0.000 0.856 434 R HN 0.612 nan 8.270 nan 0.000 0.436 435 F N 1.182 121.095 119.950 -0.062 0.000 2.146 435 F HA -0.159 4.361 4.527 -0.011 0.000 0.298 435 F C 1.950 177.678 175.800 -0.121 0.000 1.096 435 F CA 1.040 58.994 58.000 -0.077 0.000 1.275 435 F CB -0.232 38.702 39.000 -0.110 0.000 1.008 435 F HN -0.073 nan 8.300 nan 0.000 0.480 436 L N 0.949 122.005 121.223 -0.279 0.000 2.056 436 L HA -0.154 4.180 4.340 -0.011 0.000 0.207 436 L C 2.004 178.549 176.870 -0.542 0.000 1.078 436 L CA 2.422 56.922 54.840 -0.566 0.000 0.749 436 L CB -1.261 40.417 42.059 -0.635 0.000 0.901 436 L HN 0.331 nan 8.230 nan 0.000 0.433 437 D N -1.712 118.520 120.400 -0.280 0.000 2.104 437 D HA -0.259 4.375 4.640 -0.011 0.000 0.194 437 D C 2.284 178.593 176.300 0.016 0.000 0.994 437 D CA 1.515 55.504 54.000 -0.018 0.000 0.830 437 D CB -0.085 40.796 40.800 0.134 0.000 0.959 437 D HN 0.395 nan 8.370 nan 0.000 0.452 438 S N -1.731 113.912 115.700 -0.095 0.000 2.368 438 S HA -0.220 4.243 4.470 -0.011 0.000 0.224 438 S C 1.994 176.462 174.600 -0.219 0.000 1.029 438 S CA 1.049 59.190 58.200 -0.098 0.000 0.988 438 S CB -0.779 62.382 63.200 -0.066 0.000 0.838 438 S HN 0.560 nan 8.310 nan 0.000 0.462 439 Y N 0.238 120.220 120.300 -0.529 0.000 2.181 439 Y HA -0.105 4.439 4.550 -0.011 0.000 0.288 439 Y C 1.835 177.616 175.900 -0.199 0.000 1.146 439 Y CA 1.947 59.749 58.100 -0.495 0.000 1.164 439 Y CB -0.416 37.582 38.460 -0.769 0.000 0.982 439 Y HN 0.350 nan 8.280 nan 0.000 0.515 440 W N 1.116 122.233 121.300 -0.304 0.000 2.465 440 W HA -0.078 4.575 4.660 -0.011 0.000 0.268 440 W C 1.824 178.220 176.519 -0.204 0.000 1.242 440 W CA 1.066 58.213 57.345 -0.330 0.000 1.248 440 W CB -0.716 28.505 29.460 -0.399 0.000 1.118 440 W HN 0.295 nan 8.180 nan 0.000 0.587 441 Q N -0.671 119.096 119.800 -0.054 0.000 2.403 441 Q HA 0.191 4.525 4.340 -0.011 0.000 0.203 441 Q C 1.543 177.130 176.000 -0.687 0.000 0.932 441 Q CA 0.630 56.260 55.803 -0.290 0.000 0.945 441 Q CB -0.072 28.309 28.738 -0.595 0.000 1.045 441 Q HN 0.262 nan 8.270 nan 0.000 0.511 442 G N 0.818 109.168 108.800 -0.750 0.000 2.143 442 G HA2 -0.307 3.647 3.960 -0.011 0.000 0.248 442 G HA3 -0.307 3.647 3.960 -0.011 0.000 0.248 442 G C 0.123 174.703 174.900 -0.533 0.000 0.991 442 G CA 0.435 44.850 45.100 -1.141 0.000 0.689 442 G HN 0.638 nan 8.290 nan 0.000 0.522 443 H N -0.172 118.704 119.070 -0.322 0.000 2.539 443 H HA 0.212 4.761 4.556 -0.010 0.000 0.269 443 H C 0.893 176.144 175.328 -0.129 0.000 0.980 443 H CA 0.154 56.093 56.048 -0.182 0.000 1.152 443 H CB 0.494 30.192 29.762 -0.106 0.000 1.407 443 H HN 0.388 nan 8.280 nan 0.000 0.564 444 E N 0.752 120.918 120.200 -0.056 0.000 2.243 444 E HA 0.006 4.350 4.350 -0.011 0.000 0.260 444 E C 0.894 177.483 176.600 -0.019 0.000 0.985 444 E CA -0.272 56.130 56.400 0.003 0.000 0.858 444 E CB 1.192 30.917 29.700 0.041 0.000 1.210 444 E HN 0.528 nan 8.360 nan 0.000 0.411 445 E N 0.361 120.586 120.200 0.042 0.000 2.338 445 E HA -0.069 4.274 4.350 -0.011 0.000 0.197 445 E C 0.795 177.342 176.600 -0.089 0.000 1.007 445 E CA 0.664 57.080 56.400 0.027 0.000 0.849 445 E CB -0.358 29.415 29.700 0.122 0.000 0.774 445 E HN 0.422 nan 8.360 nan 0.000 0.506 446 I N -0.962 119.541 120.570 -0.111 0.000 2.412 446 I HA 0.566 4.729 4.170 -0.011 0.000 0.296 446 I C -0.219 175.705 176.117 -0.323 0.000 0.987 446 I CA -1.229 59.858 61.300 -0.354 0.000 1.180 446 I CB 1.594 39.462 38.000 -0.221 0.000 1.340 446 I HN -0.145 nan 8.210 nan 0.000 0.455 447 R N 3.839 123.939 120.500 -0.667 0.000 2.831 447 R HA 0.681 5.015 4.340 -0.011 0.000 0.266 447 R C -1.509 174.391 176.300 -0.666 0.000 1.051 447 R CA -0.966 54.729 56.100 -0.675 0.000 0.943 447 R CB 2.328 32.318 30.300 -0.517 0.000 1.228 447 R HN 0.845 nan 8.270 nan 0.000 0.467 448 Q N 0.482 120.056 119.800 -0.376 0.000 2.527 448 Q HA 0.548 4.882 4.340 -0.011 0.000 0.280 448 Q C -1.428 174.538 176.000 -0.057 0.000 0.977 448 Q CA -1.006 54.670 55.803 -0.211 0.000 0.837 448 Q CB 1.737 30.410 28.738 -0.109 0.000 1.454 448 Q HN 0.629 nan 8.270 nan 0.000 0.387 449 I N -0.413 120.078 120.570 -0.132 0.000 2.498 449 I HA 0.901 5.065 4.170 -0.011 0.000 0.290 449 I C -0.855 175.035 176.117 -0.377 0.000 1.032 449 I CA -0.612 60.515 61.300 -0.288 0.000 1.073 449 I CB 2.112 39.756 38.000 -0.593 0.000 1.251 449 I HN 0.885 nan 8.210 nan 0.000 0.426 450 S N 4.093 119.846 115.700 0.088 0.000 2.615 450 S HA 0.707 5.171 4.470 -0.011 0.000 0.269 450 S C -1.114 173.877 174.600 0.651 0.000 1.161 450 S CA -0.928 57.509 58.200 0.394 0.000 0.817 450 S CB 2.341 65.783 63.200 0.404 0.000 1.131 450 S HN 0.898 nan 8.310 nan 0.000 0.467 451 K N 1.038 121.755 120.400 0.527 0.000 2.651 451 K HA 0.566 4.880 4.320 -0.011 0.000 0.259 451 K C -0.007 176.745 176.600 0.253 0.000 1.017 451 K CA 0.082 56.598 56.287 0.381 0.000 0.897 451 K CB 1.044 33.690 32.500 0.244 0.000 1.262 451 K HN 0.924 nan 8.250 nan 0.000 0.460 452 S N 1.742 117.569 115.700 0.211 0.000 4.054 452 S HA -0.283 4.181 4.470 -0.011 0.000 0.618 452 S C 0.447 175.106 174.600 0.098 0.000 2.026 452 S CA 1.759 59.992 58.200 0.057 0.000 4.205 452 S CB -0.995 62.159 63.200 -0.076 0.000 0.233 452 S HN 1.010 nan 8.310 nan 0.000 0.612 453 D N 1.985 122.358 120.400 -0.045 0.000 2.325 453 D HA 0.313 4.946 4.640 -0.011 0.000 0.234 453 D C -0.185 176.254 176.300 0.232 0.000 1.122 453 D CA 0.174 54.249 54.000 0.125 0.000 0.850 453 D CB -0.337 40.490 40.800 0.044 0.000 0.921 453 D HN 0.349 nan 8.370 nan 0.000 0.513 454 D N 0.095 120.635 120.400 0.234 0.000 2.362 454 D HA 0.669 5.303 4.640 -0.011 0.000 0.247 454 D C -1.127 175.414 176.300 0.401 0.000 1.050 454 D CA -0.692 53.460 54.000 0.254 0.000 0.839 454 D CB 1.852 42.715 40.800 0.105 0.000 1.283 454 D HN 0.163 nan 8.370 nan 0.000 0.477 455 A N 2.743 125.737 122.820 0.289 0.000 2.586 455 A HA 0.650 4.964 4.320 -0.011 0.000 0.291 455 A C -1.530 175.959 177.584 -0.160 0.000 1.062 455 A CA -0.709 51.328 52.037 0.000 0.000 0.666 455 A CB 1.186 19.974 19.000 -0.354 0.000 1.281 455 A HN 0.481 nan 8.150 nan 0.000 0.421 456 M N 1.644 121.049 119.600 -0.326 0.000 2.327 456 M HA 0.474 4.947 4.480 -0.011 0.000 0.298 456 M C -1.415 174.834 176.300 -0.085 0.000 1.065 456 M CA -0.228 55.011 55.300 -0.102 0.000 0.916 456 M CB 1.848 34.442 32.600 -0.011 0.000 1.630 456 M HN 0.573 nan 8.290 nan 0.000 0.442 457 L N 2.034 123.184 121.223 -0.121 0.000 2.317 457 L HA 0.879 5.213 4.340 -0.011 0.000 0.281 457 L C 0.357 176.841 176.870 -0.644 0.000 1.024 457 L CA -0.722 53.880 54.840 -0.397 0.000 0.810 457 L CB 1.714 43.613 42.059 -0.267 0.000 1.240 457 L HN 0.813 nan 8.230 nan 0.000 0.427 458 G N 1.637 109.563 108.800 -1.456 0.000 2.498 458 G HA2 0.613 4.567 3.960 -0.011 0.000 0.312 458 G HA3 0.613 4.567 3.960 -0.011 0.000 0.312 458 G C -1.940 172.181 174.900 -1.298 0.000 1.230 458 G CA -0.343 43.792 45.100 -1.609 0.000 0.968 458 G HN 0.475 nan 8.290 nan 0.000 0.481 459 W N 1.691 122.711 121.300 -0.467 0.000 2.715 459 W HA 0.362 5.016 4.660 -0.010 0.000 0.331 459 W C 0.474 176.936 176.519 -0.095 0.000 1.031 459 W CA -0.608 56.606 57.345 -0.219 0.000 1.237 459 W CB 2.203 31.588 29.460 -0.125 0.000 1.378 459 W HN 0.828 nan 8.180 nan 0.000 0.454 460 T N -0.220 114.394 114.554 0.100 0.000 2.865 460 T HA 0.375 4.718 4.350 -0.011 0.000 0.302 460 T C 0.466 175.273 174.700 0.178 0.000 1.078 460 T CA -0.636 61.554 62.100 0.151 0.000 0.942 460 T CB 1.181 70.114 68.868 0.109 0.000 1.387 460 T HN 0.032 nan 8.240 nan 0.000 0.557 461 K N 0.777 121.266 120.400 0.149 0.000 2.295 461 K HA 0.607 4.921 4.320 -0.011 0.000 0.270 461 K C 0.584 177.258 176.600 0.124 0.000 1.011 461 K CA 0.426 56.792 56.287 0.132 0.000 0.953 461 K CB 0.615 33.176 32.500 0.102 0.000 0.956 461 K HN 1.086 nan 8.250 nan 0.000 0.477 462 G N 0.940 109.811 108.800 0.117 0.000 2.356 462 G HA2 -0.031 3.923 3.960 -0.011 0.000 0.288 462 G HA3 -0.031 3.923 3.960 -0.011 0.000 0.288 462 G C 0.210 175.164 174.900 0.090 0.000 1.302 462 G CA -0.811 44.350 45.100 0.102 0.000 0.887 462 G HN 0.478 nan 8.290 nan 0.000 0.521 463 R N -0.339 120.183 120.500 0.036 0.000 2.148 463 R HA 0.042 4.375 4.340 -0.011 0.000 0.227 463 R C 2.827 179.198 176.300 0.117 0.000 1.103 463 R CA 1.826 57.898 56.100 -0.046 0.000 0.983 463 R CB -0.250 29.799 30.300 -0.418 0.000 0.874 463 R HN 0.574 nan 8.270 nan 0.000 0.451 464 A N 0.783 123.784 122.820 0.301 0.000 2.016 464 A HA -0.085 4.228 4.320 -0.011 0.000 0.217 464 A C 1.933 179.679 177.584 0.270 0.000 1.162 464 A CA 0.457 52.740 52.037 0.410 0.000 0.662 464 A CB -0.245 19.083 19.000 0.546 0.000 0.812 464 A HN 0.211 nan 8.150 nan 0.000 0.450 465 L N -0.004 121.359 121.223 0.234 0.000 1.997 465 L HA -0.185 4.149 4.340 -0.011 0.000 0.216 465 L C 2.409 179.294 176.870 0.025 0.000 1.074 465 L CA 2.386 57.295 54.840 0.114 0.000 0.763 465 L CB -0.784 41.380 42.059 0.176 0.000 0.890 465 L HN 0.215 nan 8.230 nan 0.000 0.434 466 V N -0.111 119.849 119.914 0.077 0.000 2.287 466 V HA -0.231 3.883 4.120 -0.011 0.000 0.248 466 V C 2.413 178.514 176.094 0.012 0.000 1.053 466 V CA 2.191 64.533 62.300 0.069 0.000 1.027 466 V CB -0.995 30.853 31.823 0.042 0.000 0.646 466 V HN 0.650 nan 8.190 nan 0.000 0.447 467 G N -0.881 107.912 108.800 -0.012 0.000 2.422 467 G HA2 -0.145 3.809 3.960 -0.011 0.000 0.218 467 G HA3 -0.145 3.809 3.960 -0.011 0.000 0.218 467 G C 1.591 176.349 174.900 -0.238 0.000 1.146 467 G CA 0.828 45.908 45.100 -0.033 0.000 0.769 467 G HN 0.719 nan 8.290 nan 0.000 0.547 468 G N 0.179 108.599 108.800 -0.633 0.000 2.476 468 G HA2 -0.251 3.702 3.960 -0.011 0.000 0.218 468 G HA3 -0.251 3.702 3.960 -0.011 0.000 0.218 468 G C 1.528 175.942 174.900 -0.811 0.000 1.164 468 G CA 1.292 45.512 45.100 -1.466 0.000 0.768 468 G HN 0.566 nan 8.290 nan 0.000 0.560 469 H N -0.224 118.618 119.070 -0.380 0.000 2.387 469 H HA 0.096 4.646 4.556 -0.010 0.000 0.299 469 H C 2.877 178.157 175.328 -0.080 0.000 1.090 469 H CA 1.253 57.211 56.048 -0.151 0.000 1.332 469 H CB 0.065 29.764 29.762 -0.106 0.000 1.386 469 H HN 0.201 nan 8.280 nan 0.000 0.516 470 R N -0.136 120.369 120.500 0.010 0.000 2.081 470 R HA -0.122 4.212 4.340 -0.011 0.000 0.235 470 R C 2.079 178.380 176.300 0.002 0.000 1.131 470 R CA 1.138 57.250 56.100 0.019 0.000 0.960 470 R CB -0.379 29.936 30.300 0.025 0.000 0.856 470 R HN 0.219 nan 8.270 nan 0.000 0.436 471 L N 0.442 121.628 121.223 -0.062 0.000 2.017 471 L HA -0.177 4.157 4.340 -0.011 0.000 0.208 471 L C 2.020 178.916 176.870 0.043 0.000 1.073 471 L CA 1.697 56.491 54.840 -0.076 0.000 0.745 471 L CB -0.827 41.159 42.059 -0.121 0.000 0.894 471 L HN 0.035 nan 8.230 nan 0.000 0.432 472 F N 0.927 120.782 119.950 -0.158 0.000 2.069 472 F HA -0.229 4.292 4.527 -0.011 0.000 0.298 472 F C 2.588 178.392 175.800 0.006 0.000 1.113 472 F CA 1.995 59.953 58.000 -0.071 0.000 1.214 472 F CB -0.814 38.109 39.000 -0.128 0.000 0.978 472 F HN 0.303 nan 8.300 nan 0.000 0.474 473 E N 0.339 120.614 120.200 0.125 0.000 2.085 473 E HA -0.292 4.051 4.350 -0.011 0.000 0.194 473 E C 2.389 178.990 176.600 0.002 0.000 0.994 473 E CA 1.937 58.355 56.400 0.029 0.000 0.801 473 E CB -0.634 29.090 29.700 0.040 0.000 0.743 473 E HN 0.523 nan 8.360 nan 0.000 0.453 474 M N -0.532 119.083 119.600 0.026 0.000 2.117 474 M HA -0.164 4.310 4.480 -0.011 0.000 0.262 474 M C 1.849 178.178 176.300 0.048 0.000 1.065 474 M CA 1.461 56.771 55.300 0.016 0.000 1.114 474 M CB -0.086 32.502 32.600 -0.019 0.000 1.361 474 M HN 0.201 nan 8.290 nan 0.000 0.408 475 L N 0.245 121.531 121.223 0.104 0.000 2.017 475 L HA -0.230 4.104 4.340 -0.011 0.000 0.208 475 L C 2.661 179.644 176.870 0.189 0.000 1.073 475 L CA 1.686 56.655 54.840 0.216 0.000 0.745 475 L CB -0.780 41.490 42.059 0.352 0.000 0.894 475 L HN 0.394 nan 8.230 nan 0.000 0.432 476 K N 0.378 120.727 120.400 -0.085 0.000 2.063 476 K HA -0.223 4.091 4.320 -0.011 0.000 0.208 476 K C 1.899 178.446 176.600 -0.089 0.000 1.048 476 K CA 1.618 57.708 56.287 -0.328 0.000 0.928 476 K CB 0.012 32.104 32.500 -0.681 0.000 0.713 476 K HN 0.350 nan 8.250 nan 0.000 0.442 477 E N -0.677 119.489 120.200 -0.056 0.000 2.150 477 E HA -0.094 4.249 4.350 -0.011 0.000 0.193 477 E C 0.911 177.531 176.600 0.033 0.000 0.985 477 E CA 0.677 57.064 56.400 -0.022 0.000 0.814 477 E CB -0.138 29.550 29.700 -0.019 0.000 0.752 477 E HN 0.611 nan 8.360 nan 0.000 0.466 478 G N 1.804 110.651 108.800 0.079 0.000 2.341 478 G HA2 -0.340 3.613 3.960 -0.011 0.000 0.292 478 G HA3 -0.340 3.613 3.960 -0.011 0.000 0.292 478 G C 0.597 175.531 174.900 0.056 0.000 1.021 478 G CA 1.183 46.341 45.100 0.097 0.000 0.905 478 G HN 0.293 nan 8.290 nan 0.000 0.508 479 K N -1.560 118.865 120.400 0.042 0.000 2.313 479 K HA 0.332 4.646 4.320 -0.011 0.000 0.197 479 K C 0.665 177.285 176.600 0.033 0.000 1.061 479 K CA 0.658 56.964 56.287 0.031 0.000 0.980 479 K CB 1.035 33.548 32.500 0.022 0.000 0.888 479 K HN 0.293 nan 8.250 nan 0.000 0.502 480 V N 2.383 122.320 119.914 0.038 0.000 2.487 480 V HA 0.167 4.280 4.120 -0.011 0.000 0.298 480 V C -0.763 175.358 176.094 0.045 0.000 1.028 480 V CA -1.313 61.011 62.300 0.040 0.000 0.860 480 V CB 1.467 33.317 31.823 0.045 0.000 0.991 480 V HN 0.150 nan 8.190 nan 0.000 0.427 481 N N 6.877 125.602 118.700 0.042 0.000 2.431 481 N HA 0.214 4.947 4.740 -0.011 0.000 0.265 481 N C -0.984 174.564 175.510 0.064 0.000 1.184 481 N CA -1.632 51.444 53.050 0.045 0.000 0.943 481 N CB 1.241 39.741 38.487 0.021 0.000 1.080 481 N HN 0.421 nan 8.380 nan 0.000 0.477 482 P HA -0.027 nan 4.420 nan 0.000 0.239 482 P C -0.395 177.052 177.300 0.245 0.000 1.184 482 P CA 0.446 63.602 63.100 0.092 0.000 0.760 482 P CB 0.367 32.019 31.700 -0.082 0.000 0.884 483 S N 0.533 116.311 115.700 0.130 0.000 2.548 483 S HA 0.517 4.981 4.470 -0.011 0.000 0.286 483 S C -2.331 172.232 174.600 -0.061 0.000 1.098 483 S CA -1.664 56.580 58.200 0.074 0.000 0.930 483 S CB 2.011 65.288 63.200 0.127 0.000 1.070 483 S HN -0.187 nan 8.310 nan 0.000 0.480 484 P HA 0.155 nan 4.420 nan 0.000 0.251 484 P C 0.185 177.269 177.300 -0.359 0.000 1.223 484 P CA 0.340 63.220 63.100 -0.366 0.000 0.796 484 P CB 0.013 31.390 31.700 -0.539 0.000 1.068 485 Y N -0.848 119.520 120.300 0.113 0.000 2.441 485 Y HA 0.277 4.821 4.550 -0.010 0.000 0.288 485 Y C 1.649 177.554 175.900 0.007 0.000 1.118 485 Y CA 0.491 58.667 58.100 0.127 0.000 1.215 485 Y CB -0.075 38.517 38.460 0.220 0.000 1.118 485 Y HN -0.147 nan 8.280 nan 0.000 0.547 486 M N -0.306 119.352 119.600 0.097 0.000 2.664 486 M HA 0.315 4.789 4.480 -0.011 0.000 0.279 486 M C -0.952 175.288 176.300 -0.101 0.000 1.275 486 M CA -1.034 54.230 55.300 -0.060 0.000 0.829 486 M CB 1.811 34.427 32.600 0.027 0.000 1.727 486 M HN -0.285 nan 8.290 nan 0.000 0.459 487 K N 2.265 122.533 120.400 -0.221 0.000 2.284 487 K HA 0.499 4.813 4.320 -0.011 0.000 0.287 487 K C -0.621 175.991 176.600 0.020 0.000 1.081 487 K CA -0.156 56.058 56.287 -0.122 0.000 0.910 487 K CB 0.154 32.547 32.500 -0.178 0.000 1.088 487 K HN 0.461 nan 8.250 nan 0.000 0.478 488 I N 1.792 122.407 120.570 0.076 0.000 2.493 488 I HA 0.298 4.462 4.170 -0.011 0.000 0.298 488 I C 0.821 177.021 176.117 0.139 0.000 0.998 488 I CA -0.466 60.926 61.300 0.153 0.000 1.137 488 I CB 1.468 39.596 38.000 0.213 0.000 1.310 488 I HN 0.584 nan 8.210 nan 0.000 0.445 489 S N 4.806 120.597 115.700 0.152 0.000 2.903 489 S HA 0.694 5.158 4.470 -0.011 0.000 0.314 489 S C -1.024 173.698 174.600 0.203 0.000 1.177 489 S CA -0.753 57.532 58.200 0.143 0.000 0.859 489 S CB 1.780 64.995 63.200 0.025 0.000 1.265 489 S HN 0.486 nan 8.310 nan 0.000 0.584 490 Y N 0.037 120.444 120.300 0.179 0.000 2.420 490 Y HA 0.741 5.284 4.550 -0.010 0.000 0.334 490 Y C -0.073 175.951 175.900 0.208 0.000 1.094 490 Y CA -1.012 57.218 58.100 0.216 0.000 1.126 490 Y CB 0.714 39.358 38.460 0.308 0.000 1.217 490 Y HN 0.889 nan 8.280 nan 0.000 0.462 491 E N 1.895 122.205 120.200 0.182 0.000 2.290 491 E HA 0.021 4.364 4.350 -0.011 0.000 0.277 491 E C -1.205 175.507 176.600 0.188 0.000 1.035 491 E CA -0.517 55.950 56.400 0.113 0.000 0.873 491 E CB 0.288 30.090 29.700 0.170 0.000 1.029 491 E HN 0.822 nan 8.360 nan 0.000 0.419 492 H N 3.655 122.716 119.070 -0.014 0.000 3.067 492 H HA 0.298 4.848 4.556 -0.011 0.000 0.265 492 H C 0.092 175.497 175.328 0.129 0.000 1.234 492 H CA 1.156 57.264 56.048 0.100 0.000 1.452 492 H CB 0.141 29.913 29.762 0.018 0.000 1.527 492 H HN 0.736 nan 8.280 nan 0.000 0.486 493 G N 3.614 112.401 108.800 -0.022 0.000 2.970 493 G HA2 -0.124 3.830 3.960 -0.011 0.000 0.249 493 G HA3 -0.124 3.830 3.960 -0.011 0.000 0.249 493 G C 0.491 175.460 174.900 0.116 0.000 1.113 493 G CA -0.389 44.713 45.100 0.005 0.000 1.119 493 G HN 0.964 nan 8.290 nan 0.000 0.552 494 G N -0.193 108.721 108.800 0.191 0.000 2.178 494 G HA2 0.639 4.593 3.960 -0.011 0.000 0.244 494 G HA3 0.639 4.593 3.960 -0.011 0.000 0.244 494 G C 0.517 175.540 174.900 0.204 0.000 1.213 494 G CA 0.977 46.212 45.100 0.225 0.000 0.912 494 G HN 2.007 nan 8.290 nan 0.000 0.474 495 A N 2.011 124.966 122.820 0.225 0.000 2.587 495 A HA 0.769 5.083 4.320 -0.011 0.000 0.293 495 A C -1.654 176.124 177.584 0.324 0.000 1.087 495 A CA -0.677 51.517 52.037 0.262 0.000 0.692 495 A CB 1.806 20.906 19.000 0.166 0.000 1.291 495 A HN 1.168 nan 8.150 nan 0.000 0.407 496 F N 1.932 121.958 119.950 0.126 0.000 2.579 496 F HA 0.574 5.095 4.527 -0.011 0.000 0.325 496 F C -0.254 175.466 175.800 -0.132 0.000 1.162 496 F CA -1.079 56.904 58.000 -0.028 0.000 0.946 496 F CB 1.303 40.245 39.000 -0.098 0.000 1.211 496 F HN 0.435 nan 8.300 nan 0.000 0.447 497 L N 6.179 126.977 121.223 -0.708 0.000 3.762 497 L HA -0.126 4.207 4.340 -0.011 0.000 0.460 497 L C 1.211 177.890 176.870 -0.318 0.000 1.255 497 L CA 1.428 55.906 54.840 -0.604 0.000 0.783 497 L CB -1.641 39.875 42.059 -0.906 0.000 1.600 497 L HN 1.221 nan 8.230 nan 0.000 0.862 498 G N -1.781 106.925 108.800 -0.156 0.000 2.267 498 G HA2 -0.263 3.691 3.960 -0.011 0.000 0.257 498 G HA3 -0.263 3.691 3.960 -0.011 0.000 0.257 498 G C 0.231 175.128 174.900 -0.005 0.000 0.998 498 G CA 0.357 45.420 45.100 -0.060 0.000 0.620 498 G HN 0.502 nan 8.290 nan 0.000 0.529 499 D N 0.652 121.045 120.400 -0.012 0.000 2.233 499 D HA 0.529 5.163 4.640 -0.011 0.000 0.240 499 D C 0.617 177.087 176.300 0.283 0.000 1.074 499 D CA -0.352 53.711 54.000 0.105 0.000 0.838 499 D CB 1.437 42.254 40.800 0.028 0.000 1.124 499 D HN 0.292 nan 8.370 nan 0.000 0.475 500 I N 1.973 122.680 120.570 0.229 0.000 2.529 500 I HA -0.014 4.149 4.170 -0.011 0.000 0.284 500 I C 0.219 176.405 176.117 0.116 0.000 1.082 500 I CA -0.637 60.771 61.300 0.181 0.000 1.406 500 I CB 0.909 38.971 38.000 0.103 0.000 1.405 500 I HN 0.088 nan 8.210 nan 0.000 0.548 501 L N 8.289 129.484 121.223 -0.048 0.000 2.295 501 L HA 0.273 4.607 4.340 -0.011 0.000 0.288 501 L C -0.606 176.076 176.870 -0.314 0.000 1.079 501 L CA -0.154 54.377 54.840 -0.516 0.000 0.830 501 L CB 0.649 42.324 42.059 -0.640 0.000 1.200 501 L HN 0.407 nan 8.230 nan 0.000 0.438 502 L N 6.371 127.419 121.223 -0.291 0.000 2.261 502 L HA 0.395 4.729 4.340 -0.011 0.000 0.289 502 L C -0.967 175.808 176.870 -0.158 0.000 1.059 502 L CA 0.193 54.968 54.840 -0.108 0.000 0.816 502 L CB 0.229 42.262 42.059 -0.044 0.000 1.191 502 L HN 0.462 nan 8.230 nan 0.000 0.431 503 Y N 2.839 123.154 120.300 0.024 0.000 2.335 503 Y HA 0.363 4.907 4.550 -0.011 0.000 0.323 503 Y C 0.524 176.468 175.900 0.073 0.000 1.224 503 Y CA -0.447 57.674 58.100 0.035 0.000 1.241 503 Y CB 1.015 39.514 38.460 0.064 0.000 1.235 503 Y HN 0.759 nan 8.280 nan 0.000 0.492 504 D N -1.411 119.116 120.400 0.211 0.000 2.511 504 D HA 0.114 4.747 4.640 -0.011 0.000 0.283 504 D C 1.164 177.526 176.300 0.104 0.000 1.198 504 D CA 0.038 54.122 54.000 0.140 0.000 1.097 504 D CB -0.389 40.461 40.800 0.084 0.000 1.160 504 D HN 0.383 nan 8.370 nan 0.000 0.589 505 S N -1.167 114.563 115.700 0.050 0.000 2.423 505 S HA -0.142 4.322 4.470 -0.011 0.000 0.231 505 S C 1.725 176.322 174.600 -0.005 0.000 1.014 505 S CA 0.503 58.701 58.200 -0.004 0.000 0.965 505 S CB -0.499 62.697 63.200 -0.007 0.000 0.785 505 S HN 0.408 nan 8.310 nan 0.000 0.495 506 R N 0.617 121.135 120.500 0.029 0.000 2.235 506 R HA 0.194 4.527 4.340 -0.011 0.000 0.213 506 R C 0.095 176.415 176.300 0.034 0.000 1.059 506 R CA 0.286 56.403 56.100 0.028 0.000 0.997 506 R CB -0.146 30.181 30.300 0.045 0.000 0.884 506 R HN 0.186 nan 8.270 nan 0.000 0.462 507 R N 1.405 121.948 120.500 0.072 0.000 3.333 507 R HA -0.161 4.172 4.340 -0.011 0.000 0.256 507 R C -1.145 175.213 176.300 0.098 0.000 1.010 507 R CA 0.972 57.086 56.100 0.023 0.000 0.680 507 R CB -2.203 28.004 30.300 -0.154 0.000 1.102 507 R HN 0.532 nan 8.270 nan 0.000 0.440 508 E N -0.800 119.574 120.200 0.290 0.000 2.288 508 E HA 0.266 4.609 4.350 -0.011 0.000 0.268 508 E C -1.966 174.821 176.600 0.312 0.000 0.885 508 E CA -2.271 54.293 56.400 0.273 0.000 0.767 508 E CB 1.739 31.531 29.700 0.154 0.000 1.220 508 E HN -0.239 nan 8.360 nan 0.000 0.427 509 P HA -0.194 nan 4.420 nan 0.000 0.216 509 P C 1.346 178.635 177.300 -0.018 0.000 1.153 509 P CA 1.494 64.645 63.100 0.084 0.000 0.858 509 P CB 0.122 31.923 31.700 0.168 0.000 0.789 510 G N -0.318 108.511 108.800 0.049 0.000 2.442 510 G HA2 -0.239 3.715 3.960 -0.011 0.000 0.219 510 G HA3 -0.239 3.715 3.960 -0.011 0.000 0.219 510 G C 1.248 176.143 174.900 -0.009 0.000 1.141 510 G CA 1.302 46.414 45.100 0.020 0.000 0.763 510 G HN 0.460 nan 8.290 nan 0.000 0.554 511 S N -0.719 114.984 115.700 0.006 0.000 2.588 511 S HA 0.747 5.210 4.470 -0.011 0.000 0.245 511 S C 0.414 174.985 174.600 -0.047 0.000 1.021 511 S CA 0.152 58.348 58.200 -0.006 0.000 1.006 511 S CB 0.567 63.785 63.200 0.030 0.000 0.830 511 S HN 0.576 nan 8.310 nan 0.000 0.468 512 A N 1.789 124.518 122.820 -0.151 0.000 2.322 512 A HA 0.923 5.237 4.320 -0.011 0.000 0.327 512 A C -0.234 177.157 177.584 -0.322 0.000 1.134 512 A CA -1.144 50.705 52.037 -0.314 0.000 0.831 512 A CB 0.864 19.413 19.000 -0.752 0.000 1.288 512 A HN 0.933 nan 8.150 nan 0.000 0.472 513 I N -2.969 117.400 120.570 -0.333 0.000 2.969 513 I HA 0.689 4.853 4.170 -0.011 0.000 0.307 513 I C -1.462 174.472 176.117 -0.305 0.000 1.149 513 I CA -0.866 60.284 61.300 -0.249 0.000 1.008 513 I CB 2.070 40.008 38.000 -0.103 0.000 1.232 513 I HN 0.471 nan 8.210 nan 0.000 0.435 514 F N 3.908 123.790 119.950 -0.114 0.000 2.411 514 F HA 0.590 5.111 4.527 -0.010 0.000 0.350 514 F C 0.359 176.122 175.800 -0.061 0.000 1.114 514 F CA -0.466 57.483 58.000 -0.087 0.000 1.135 514 F CB 1.871 40.823 39.000 -0.081 0.000 1.120 514 F HN 0.410 nan 8.300 nan 0.000 0.495 515 V N 1.140 121.145 119.914 0.152 0.000 2.914 515 V HA 0.887 5.000 4.120 -0.011 0.000 0.314 515 V C 0.180 176.334 176.094 0.100 0.000 1.084 515 V CA -1.030 61.323 62.300 0.087 0.000 0.963 515 V CB 1.103 32.961 31.823 0.057 0.000 1.025 515 V HN 0.811 nan 8.190 nan 0.000 0.432 516 G N 1.261 110.097 108.800 0.061 0.000 2.614 516 G HA2 0.159 4.113 3.960 -0.011 0.000 0.239 516 G HA3 0.159 4.113 3.960 -0.011 0.000 0.239 516 G C -0.040 174.991 174.900 0.218 0.000 1.240 516 G CA -0.215 44.932 45.100 0.078 0.000 0.842 516 G HN 0.992 nan 8.290 nan 0.000 0.584 517 N N 0.985 119.845 118.700 0.266 0.000 2.437 517 N HA 0.057 4.790 4.740 -0.011 0.000 0.243 517 N C 1.208 176.894 175.510 0.294 0.000 1.041 517 N CA -0.728 52.459 53.050 0.228 0.000 0.940 517 N CB 1.028 39.613 38.487 0.163 0.000 1.133 517 N HN 0.247 nan 8.380 nan 0.000 0.506 518 I N 4.220 124.920 120.570 0.218 0.000 2.423 518 I HA -0.184 3.980 4.170 -0.011 0.000 0.254 518 I C 1.721 177.889 176.117 0.085 0.000 1.151 518 I CA 1.069 62.451 61.300 0.137 0.000 1.421 518 I CB -0.402 37.692 38.000 0.157 0.000 1.079 518 I HN 0.628 nan 8.210 nan 0.000 0.431 519 N N -0.584 118.179 118.700 0.105 0.000 2.244 519 N HA -0.140 4.593 4.740 -0.011 0.000 0.183 519 N C 1.877 177.437 175.510 0.084 0.000 1.016 519 N CA 1.471 54.574 53.050 0.089 0.000 0.866 519 N CB -0.006 38.446 38.487 -0.057 0.000 0.980 519 N HN 0.277 nan 8.380 nan 0.000 0.430 520 S N -0.089 115.668 115.700 0.096 0.000 2.402 520 S HA -0.097 4.367 4.470 -0.011 0.000 0.229 520 S C 1.810 176.445 174.600 0.059 0.000 1.021 520 S CA 0.767 59.045 58.200 0.130 0.000 0.974 520 S CB -0.233 63.106 63.200 0.233 0.000 0.800 520 S HN 0.449 nan 8.310 nan 0.000 0.484 521 M N 1.116 120.573 119.600 -0.238 0.000 2.117 521 M HA -0.064 4.410 4.480 -0.011 0.000 0.262 521 M C 1.685 177.890 176.300 -0.159 0.000 1.065 521 M CA 1.490 56.442 55.300 -0.581 0.000 1.114 521 M CB -0.248 31.613 32.600 -1.231 0.000 1.361 521 M HN 0.265 nan 8.290 nan 0.000 0.408 522 L N 0.264 121.485 121.223 -0.004 0.000 2.093 522 L HA -0.240 4.094 4.340 -0.011 0.000 0.208 522 L C 2.151 179.149 176.870 0.215 0.000 1.085 522 L CA 0.898 55.855 54.840 0.196 0.000 0.755 522 L CB -1.075 41.182 42.059 0.330 0.000 0.904 522 L HN 0.363 nan 8.230 nan 0.000 0.435 523 N N 0.511 119.310 118.700 0.165 0.000 2.084 523 N HA -0.187 4.546 4.740 -0.011 0.000 0.190 523 N C 1.553 177.158 175.510 0.158 0.000 1.030 523 N CA 1.536 54.690 53.050 0.174 0.000 0.849 523 N CB -0.585 37.980 38.487 0.129 0.000 1.012 523 N HN 0.442 nan 8.380 nan 0.000 0.423 524 N N 0.556 119.329 118.700 0.122 0.000 2.188 524 N HA -0.103 4.631 4.740 -0.011 0.000 0.184 524 N C 1.556 177.130 175.510 0.107 0.000 1.018 524 N CA 0.734 53.862 53.050 0.130 0.000 0.858 524 N CB -0.014 38.572 38.487 0.164 0.000 0.989 524 N HN 0.413 nan 8.380 nan 0.000 0.426 525 Q N -0.582 119.207 119.800 -0.019 0.000 2.212 525 Q HA 0.034 4.368 4.340 -0.011 0.000 0.199 525 Q C 0.735 176.667 176.000 -0.114 0.000 0.950 525 Q CA 0.890 56.601 55.803 -0.154 0.000 0.863 525 Q CB 0.279 28.677 28.738 -0.568 0.000 0.944 525 Q HN 0.424 nan 8.270 nan 0.000 0.465 526 F N -1.542 118.692 119.950 0.472 0.000 2.706 526 F HA 0.250 4.771 4.527 -0.011 0.000 0.308 526 F C 0.616 176.720 175.800 0.506 0.000 1.095 526 F CA -0.330 58.041 58.000 0.618 0.000 1.244 526 F CB 1.222 40.594 39.000 0.621 0.000 1.063 526 F HN -0.285 nan 8.300 nan 0.000 0.582 527 S N 1.613 117.572 115.700 0.431 0.000 2.399 527 S HA 0.216 4.680 4.470 -0.011 0.000 0.198 527 S C -2.507 172.203 174.600 0.183 0.000 1.294 527 S CA -0.972 57.419 58.200 0.320 0.000 1.237 527 S CB 0.176 63.552 63.200 0.294 0.000 1.286 527 S HN -0.114 nan 8.310 nan 0.000 0.404 528 P HA 0.042 nan 4.420 nan 0.000 0.269 528 P C 0.577 177.888 177.300 0.018 0.000 1.217 528 P CA -0.008 63.133 63.100 0.069 0.000 0.783 528 P CB 0.984 32.691 31.700 0.011 0.000 0.898 529 E N 0.672 120.852 120.200 -0.033 0.000 2.230 529 E HA -0.084 4.260 4.350 -0.011 0.000 0.192 529 E C -0.319 176.015 176.600 -0.445 0.000 0.987 529 E CA 0.577 56.826 56.400 -0.251 0.000 0.841 529 E CB 0.050 29.534 29.700 -0.360 0.000 0.783 529 E HN 0.466 nan 8.360 nan 0.000 0.481 530 Y N -0.991 119.304 120.300 -0.008 0.000 2.570 530 Y HA 0.538 5.081 4.550 -0.011 0.000 0.345 530 Y C 0.794 176.661 175.900 -0.056 0.000 1.014 530 Y CA -0.826 57.255 58.100 -0.031 0.000 1.063 530 Y CB 1.701 40.144 38.460 -0.028 0.000 1.272 530 Y HN -0.075 nan 8.280 nan 0.000 0.477 531 G N -0.052 108.814 108.800 0.110 0.000 2.621 531 G HA2 0.333 4.287 3.960 -0.011 0.000 0.271 531 G HA3 0.333 4.287 3.960 -0.011 0.000 0.271 531 G C 0.751 175.652 174.900 0.002 0.000 1.236 531 G CA -0.163 44.944 45.100 0.012 0.000 0.958 531 G HN 0.767 nan 8.290 nan 0.000 0.512 532 V N -3.090 116.803 119.914 -0.036 0.000 3.510 532 V HA 0.104 4.217 4.120 -0.011 0.000 0.270 532 V C 0.971 177.035 176.094 -0.050 0.000 1.201 532 V CA 1.097 63.373 62.300 -0.040 0.000 1.166 532 V CB -1.475 30.334 31.823 -0.024 0.000 0.825 532 V HN 0.770 nan 8.190 nan 0.000 0.484 533 Q N 1.440 121.217 119.800 -0.039 0.000 2.423 533 Q HA -0.250 4.084 4.340 -0.011 0.000 0.332 533 Q C 1.487 177.457 176.000 -0.051 0.000 1.355 533 Q CA 0.618 56.394 55.803 -0.046 0.000 0.947 533 Q CB -1.641 27.057 28.738 -0.066 0.000 1.189 533 Q HN 1.029 nan 8.270 nan 0.000 0.418 534 S N -2.368 113.310 115.700 -0.037 0.000 2.500 534 S HA -0.083 4.380 4.470 -0.011 0.000 0.239 534 S C 1.636 176.220 174.600 -0.027 0.000 0.989 534 S CA 0.708 58.889 58.200 -0.032 0.000 0.951 534 S CB 0.150 63.340 63.200 -0.017 0.000 0.759 534 S HN 0.632 nan 8.310 nan 0.000 0.523 535 G N 0.648 109.433 108.800 -0.026 0.000 2.712 535 G HA2 0.222 4.176 3.960 -0.011 0.000 0.212 535 G HA3 0.222 4.176 3.960 -0.011 0.000 0.212 535 G C 0.257 175.143 174.900 -0.023 0.000 1.142 535 G CA -0.027 45.061 45.100 -0.021 0.000 0.789 535 G HN 0.456 nan 8.290 nan 0.000 0.535 536 V N 2.474 122.368 119.914 -0.034 0.000 2.372 536 V HA 0.196 4.310 4.120 -0.011 0.000 0.261 536 V C 1.227 177.305 176.094 -0.027 0.000 1.055 536 V CA -0.761 61.518 62.300 -0.036 0.000 0.930 536 V CB 1.125 32.914 31.823 -0.057 0.000 1.031 536 V HN 0.199 nan 8.190 nan 0.000 0.479 537 R N 2.127 122.624 120.500 -0.006 0.000 2.081 537 R HA -0.052 4.282 4.340 -0.011 0.000 0.235 537 R C 0.895 177.229 176.300 0.057 0.000 1.131 537 R CA 0.676 56.787 56.100 0.018 0.000 0.960 537 R CB -0.313 29.998 30.300 0.018 0.000 0.856 537 R HN 0.701 nan 8.270 nan 0.000 0.436 538 D N 1.520 121.953 120.400 0.055 0.000 2.383 538 D HA 0.034 4.668 4.640 -0.011 0.000 0.245 538 D C 0.738 177.068 176.300 0.050 0.000 1.263 538 D CA 0.008 54.085 54.000 0.127 0.000 0.936 538 D CB 0.392 41.246 40.800 0.090 0.000 1.053 538 D HN 0.013 nan 8.370 nan 0.000 0.507 539 R N 1.357 121.857 120.500 -0.000 0.000 2.139 539 R HA -0.158 4.175 4.340 -0.011 0.000 0.243 539 R C 2.125 178.178 176.300 -0.411 0.000 1.145 539 R CA 1.475 57.348 56.100 -0.378 0.000 0.976 539 R CB -0.218 29.588 30.300 -0.824 0.000 0.866 539 R HN 0.441 nan 8.270 nan 0.000 0.449 540 S N 0.845 116.417 115.700 -0.214 0.000 2.442 540 S HA -0.104 4.360 4.470 -0.011 0.000 0.236 540 S C 1.603 176.155 174.600 -0.080 0.000 1.007 540 S CA 0.936 59.078 58.200 -0.097 0.000 0.965 540 S CB 0.027 63.292 63.200 0.108 0.000 0.773 540 S HN 0.283 nan 8.310 nan 0.000 0.504 541 K N 0.444 120.800 120.400 -0.073 0.000 2.393 541 K HA 0.204 4.518 4.320 -0.011 0.000 0.193 541 K C 0.609 177.135 176.600 -0.124 0.000 1.026 541 K CA -0.090 56.150 56.287 -0.077 0.000 1.064 541 K CB 0.213 32.685 32.500 -0.047 0.000 0.833 541 K HN 0.378 nan 8.250 nan 0.000 0.521 542 R N 0.910 121.310 120.500 -0.166 0.000 2.615 542 R HA 0.107 4.440 4.340 -0.011 0.000 0.270 542 R C 1.102 177.276 176.300 -0.211 0.000 1.081 542 R CA -0.348 55.638 56.100 -0.190 0.000 1.154 542 R CB 0.480 30.651 30.300 -0.216 0.000 1.063 542 R HN -0.162 nan 8.270 nan 0.000 0.519 543 K N 1.674 121.916 120.400 -0.264 0.000 2.148 543 K HA -0.090 4.223 4.320 -0.011 0.000 0.204 543 K C 0.428 176.934 176.600 -0.157 0.000 1.050 543 K CA 1.422 57.508 56.287 -0.335 0.000 0.942 543 K CB 0.100 32.160 32.500 -0.733 0.000 0.724 543 K HN 0.416 nan 8.250 nan 0.000 0.446 544 R N 0.392 120.816 120.500 -0.126 0.000 2.564 544 R HA 0.174 4.507 4.340 -0.011 0.000 0.282 544 R C -2.156 174.040 176.300 -0.175 0.000 1.573 544 R CA -1.397 54.660 56.100 -0.072 0.000 1.588 544 R CB 1.109 31.405 30.300 -0.008 0.000 1.154 544 R HN -0.110 nan 8.270 nan 0.000 0.606 545 P HA -0.173 nan 4.420 nan 0.000 0.215 545 P C -0.278 176.392 177.300 -1.050 0.000 1.163 545 P CA 1.452 64.162 63.100 -0.648 0.000 0.894 545 P CB 0.234 31.648 31.700 -0.477 0.000 0.791 546 F N -3.969 115.932 119.950 -0.081 0.000 2.710 546 F HA 0.335 4.856 4.527 -0.011 0.000 0.345 546 F C -1.926 173.870 175.800 -0.006 0.000 1.362 546 F CA -1.978 55.986 58.000 -0.061 0.000 1.175 546 F CB 1.030 39.979 39.000 -0.085 0.000 1.561 546 F HN -0.099 nan 8.300 nan 0.000 0.593 547 P HA -0.188 nan 4.420 nan 0.000 0.217 547 P C 1.922 179.307 177.300 0.142 0.000 1.151 547 P CA 1.776 64.971 63.100 0.158 0.000 0.849 547 P CB 0.263 32.088 31.700 0.208 0.000 0.787 548 G N -0.388 108.459 108.800 0.079 0.000 2.448 548 G HA2 -0.210 3.744 3.960 -0.011 0.000 0.219 548 G HA3 -0.210 3.744 3.960 -0.011 0.000 0.219 548 G C 1.407 176.347 174.900 0.067 0.000 1.127 548 G CA 0.371 45.471 45.100 -0.001 0.000 0.766 548 G HN 0.251 nan 8.290 nan 0.000 0.552 549 L N 0.616 121.901 121.223 0.102 0.000 2.191 549 L HA -0.063 4.271 4.340 -0.011 0.000 0.212 549 L C 3.278 180.218 176.870 0.118 0.000 1.103 549 L CA 0.760 55.653 54.840 0.088 0.000 0.769 549 L CB -0.447 41.648 42.059 0.060 0.000 0.908 549 L HN 0.293 nan 8.230 nan 0.000 0.438 550 A N -0.397 122.516 122.820 0.155 0.000 2.076 550 A HA -0.254 4.059 4.320 -0.011 0.000 0.220 550 A C 2.156 179.866 177.584 0.209 0.000 1.160 550 A CA 1.067 53.212 52.037 0.180 0.000 0.653 550 A CB -0.865 18.264 19.000 0.215 0.000 0.801 550 A HN 0.708 nan 8.150 nan 0.000 0.455 551 W N 0.393 121.693 121.300 -0.000 0.000 2.402 551 W HA -0.100 4.553 4.660 -0.011 0.000 0.286 551 W C 2.092 178.615 176.519 0.007 0.000 1.221 551 W CA 1.266 58.600 57.345 -0.019 0.000 1.257 551 W CB -0.011 29.383 29.460 -0.111 0.000 1.120 551 W HN 0.437 nan 8.180 nan 0.000 0.551 552 A N 0.072 122.942 122.820 0.084 0.000 2.067 552 A HA -0.137 4.176 4.320 -0.011 0.000 0.217 552 A C 1.893 179.442 177.584 -0.057 0.000 1.156 552 A CA 1.756 53.785 52.037 -0.013 0.000 0.683 552 A CB -0.803 18.207 19.000 0.016 0.000 0.808 552 A HN 0.278 nan 8.150 nan 0.000 0.455 553 S N -1.412 114.273 115.700 -0.025 0.000 2.524 553 S HA 0.095 4.559 4.470 -0.011 0.000 0.215 553 S C 1.745 176.330 174.600 -0.025 0.000 0.986 553 S CA 0.597 58.777 58.200 -0.034 0.000 0.911 553 S CB -0.422 62.772 63.200 -0.010 0.000 0.805 553 S HN 0.518 nan 8.310 nan 0.000 0.501 554 M N 1.895 121.491 119.600 -0.007 0.000 2.073 554 M HA -0.210 4.263 4.480 -0.011 0.000 0.258 554 M C 2.160 178.505 176.300 0.076 0.000 1.070 554 M CA 2.159 57.523 55.300 0.106 0.000 1.103 554 M CB -0.230 32.339 32.600 -0.052 0.000 1.321 554 M HN 0.288 nan 8.290 nan 0.000 0.405 555 K N 0.578 120.936 120.400 -0.070 0.000 2.063 555 K HA -0.222 4.092 4.320 -0.011 0.000 0.208 555 K C 1.803 178.261 176.600 -0.236 0.000 1.048 555 K CA 2.209 58.377 56.287 -0.198 0.000 0.928 555 K CB -0.618 31.793 32.500 -0.148 0.000 0.713 555 K HN 0.540 nan 8.250 nan 0.000 0.442 556 D N -1.156 119.146 120.400 -0.163 0.000 2.144 556 D HA -0.112 4.522 4.640 -0.011 0.000 0.200 556 D C 1.118 177.300 176.300 -0.196 0.000 0.978 556 D CA 1.465 55.367 54.000 -0.162 0.000 0.833 556 D CB 0.238 40.960 40.800 -0.130 0.000 0.961 556 D HN 0.294 nan 8.370 nan 0.000 0.470 557 T N -1.137 113.276 114.554 -0.235 0.000 2.894 557 T HA -0.068 4.276 4.350 -0.011 0.000 0.258 557 T C 1.153 175.479 174.700 -0.624 0.000 1.043 557 T CA 0.854 62.687 62.100 -0.445 0.000 1.141 557 T CB -0.110 68.396 68.868 -0.604 0.000 0.873 557 T HN 0.262 nan 8.240 nan 0.000 0.449 558 Y N -0.022 120.230 120.300 -0.080 0.000 2.453 558 Y HA 0.410 4.954 4.550 -0.011 0.000 0.247 558 Y C 2.407 178.090 175.900 -0.362 0.000 1.124 558 Y CA -0.650 57.407 58.100 -0.070 0.000 1.243 558 Y CB -0.157 38.395 38.460 0.152 0.000 1.213 558 Y HN 0.193 nan 8.280 nan 0.000 0.523 559 G N 0.753 109.203 108.800 -0.583 0.000 2.517 559 G HA2 -0.295 3.658 3.960 -0.011 0.000 0.222 559 G HA3 -0.295 3.658 3.960 -0.011 0.000 0.222 559 G C 1.718 176.382 174.900 -0.393 0.000 1.109 559 G CA 1.140 45.702 45.100 -0.897 0.000 0.746 559 G HN 0.440 nan 8.290 nan 0.000 0.576 560 A N -0.822 121.883 122.820 -0.192 0.000 2.208 560 A HA 0.207 4.520 4.320 -0.011 0.000 0.209 560 A C 1.475 179.057 177.584 -0.003 0.000 1.161 560 A CA 0.491 52.482 52.037 -0.076 0.000 0.782 560 A CB -0.603 18.366 19.000 -0.051 0.000 0.816 560 A HN 0.490 nan 8.150 nan 0.000 0.477 561 C N 0.788 120.114 119.300 0.042 0.000 2.648 561 C HA 0.338 4.792 4.460 -0.011 0.000 0.415 561 C C -0.624 174.428 174.990 0.104 0.000 1.366 561 C CA -1.321 57.761 59.018 0.106 0.000 1.756 561 C CB 0.266 28.119 27.740 0.188 0.000 2.549 561 C HN 0.413 nan 8.230 nan 0.000 0.597 562 P HA -0.170 nan 4.420 nan 0.000 0.218 562 P C 0.815 178.155 177.300 0.067 0.000 1.154 562 P CA 1.902 65.045 63.100 0.072 0.000 0.872 562 P CB -0.105 31.635 31.700 0.067 0.000 0.790 563 I N -5.979 114.597 120.570 0.010 0.000 3.874 563 I HA 0.206 4.369 4.170 -0.011 0.000 0.331 563 I C 1.709 177.788 176.117 -0.063 0.000 1.489 563 I CA -0.450 60.779 61.300 -0.119 0.000 1.187 563 I CB -0.674 37.014 38.000 -0.521 0.000 1.150 563 I HN -0.154 nan 8.210 nan 0.000 0.412 564 Y N 1.922 122.193 120.300 -0.048 0.000 2.053 564 Y HA -0.297 4.247 4.550 -0.011 0.000 0.277 564 Y C 2.573 178.471 175.900 -0.005 0.000 1.159 564 Y CA 2.357 60.451 58.100 -0.011 0.000 1.125 564 Y CB -0.134 38.344 38.460 0.029 0.000 0.969 564 Y HN 0.306 nan 8.280 nan 0.000 0.492 565 S N 0.381 116.108 115.700 0.045 0.000 2.359 565 S HA -0.240 4.224 4.470 -0.011 0.000 0.224 565 S C 1.390 175.957 174.600 -0.056 0.000 1.035 565 S CA 1.770 59.947 58.200 -0.039 0.000 1.018 565 S CB -0.586 62.669 63.200 0.091 0.000 0.876 565 S HN 0.625 nan 8.310 nan 0.000 0.448 566 D N 0.685 121.078 120.400 -0.012 0.000 2.144 566 D HA -0.077 4.557 4.640 -0.011 0.000 0.199 566 D C 1.881 178.181 176.300 0.000 0.000 0.984 566 D CA 0.849 54.880 54.000 0.052 0.000 0.834 566 D CB -0.257 40.620 40.800 0.128 0.000 0.955 566 D HN 0.172 nan 8.370 nan 0.000 0.465 567 V N 0.531 120.363 119.914 -0.136 0.000 2.307 567 V HA -0.185 3.929 4.120 -0.011 0.000 0.245 567 V C 2.381 178.451 176.094 -0.041 0.000 1.045 567 V CA 1.170 63.405 62.300 -0.109 0.000 1.024 567 V CB -0.453 31.281 31.823 -0.148 0.000 0.651 567 V HN 0.259 nan 8.190 nan 0.000 0.449 568 L N -0.369 120.780 121.223 -0.123 0.000 2.127 568 L HA -0.230 4.104 4.340 -0.011 0.000 0.211 568 L C 2.530 179.441 176.870 0.068 0.000 1.089 568 L CA 1.702 56.523 54.840 -0.033 0.000 0.757 568 L CB -0.457 41.489 42.059 -0.188 0.000 0.899 568 L HN 0.428 nan 8.230 nan 0.000 0.434 569 E N -0.456 119.765 120.200 0.034 0.000 2.112 569 E HA -0.116 4.227 4.350 -0.011 0.000 0.190 569 E C 2.297 178.922 176.600 0.042 0.000 0.979 569 E CA 0.836 57.272 56.400 0.059 0.000 0.814 569 E CB -0.057 29.673 29.700 0.049 0.000 0.762 569 E HN 0.473 nan 8.360 nan 0.000 0.460 570 A N 1.147 123.983 122.820 0.027 0.000 1.902 570 A HA -0.166 4.148 4.320 -0.011 0.000 0.217 570 A C 2.135 179.725 177.584 0.010 0.000 1.181 570 A CA 0.973 52.968 52.037 -0.070 0.000 0.623 570 A CB -0.537 18.482 19.000 0.030 0.000 0.818 570 A HN 0.135 nan 8.150 nan 0.000 0.443 571 I N -0.770 119.867 120.570 0.113 0.000 2.163 571 I HA -0.269 3.895 4.170 -0.011 0.000 0.243 571 I C 2.590 178.895 176.117 0.313 0.000 1.085 571 I CA 1.901 63.351 61.300 0.249 0.000 1.347 571 I CB -0.278 37.865 38.000 0.239 0.000 1.044 571 I HN 0.394 nan 8.210 nan 0.000 0.408 572 E N 1.112 121.464 120.200 0.255 0.000 2.058 572 E HA -0.273 4.071 4.350 -0.011 0.000 0.194 572 E C 2.256 179.059 176.600 0.338 0.000 0.997 572 E CA 1.525 58.109 56.400 0.308 0.000 0.801 572 E CB -0.166 29.677 29.700 0.237 0.000 0.746 572 E HN 0.206 nan 8.360 nan 0.000 0.450 573 R N -0.628 119.991 120.500 0.198 0.000 2.073 573 R HA -0.127 4.207 4.340 -0.011 0.000 0.234 573 R C 2.259 178.697 176.300 0.229 0.000 1.134 573 R CA 1.822 58.011 56.100 0.149 0.000 0.952 573 R CB -0.651 29.629 30.300 -0.034 0.000 0.850 573 R HN 0.339 nan 8.270 nan 0.000 0.433 574 C N -0.427 119.006 119.300 0.222 0.000 2.435 574 C HA -0.060 4.394 4.460 -0.011 0.000 0.279 574 C C 2.325 177.635 174.990 0.535 0.000 1.321 574 C CA -0.091 59.098 59.018 0.285 0.000 1.752 574 C CB -1.286 26.530 27.740 0.128 0.000 1.959 574 C HN 0.689 nan 8.230 nan 0.000 0.500 575 W N -0.443 121.085 121.300 0.379 0.000 2.402 575 W HA -0.109 4.544 4.660 -0.011 0.000 0.286 575 W C 2.202 178.849 176.519 0.214 0.000 1.221 575 W CA 0.908 58.358 57.345 0.176 0.000 1.257 575 W CB -0.600 28.823 29.460 -0.061 0.000 1.120 575 W HN 0.489 nan 8.180 nan 0.000 0.551 576 W N 1.619 123.122 121.300 0.338 0.000 2.379 576 W HA -0.211 4.443 4.660 -0.010 0.000 0.307 576 W C 2.280 178.849 176.519 0.083 0.000 1.200 576 W CA 1.918 59.385 57.345 0.204 0.000 1.297 576 W CB -0.745 28.809 29.460 0.157 0.000 1.140 576 W HN -0.243 nan 8.180 nan 0.000 0.507 577 N N 0.066 118.954 118.700 0.314 0.000 2.104 577 N HA -0.193 4.541 4.740 -0.011 0.000 0.190 577 N C 1.613 177.092 175.510 -0.052 0.000 1.024 577 N CA 2.173 55.311 53.050 0.146 0.000 0.853 577 N CB -1.075 37.473 38.487 0.103 0.000 1.008 577 N HN 0.212 nan 8.380 nan 0.000 0.424 578 A N -0.697 122.030 122.820 -0.154 0.000 1.903 578 A HA 0.109 4.423 4.320 -0.011 0.000 0.213 578 A C 1.431 178.525 177.584 -0.818 0.000 1.185 578 A CA 0.789 52.521 52.037 -0.508 0.000 0.628 578 A CB -0.319 18.296 19.000 -0.641 0.000 0.830 578 A HN 0.242 nan 8.150 nan 0.000 0.446 579 F N -1.309 118.327 119.950 -0.524 0.000 2.706 579 F HA 0.376 4.897 4.527 -0.011 0.000 0.308 579 F C 1.672 177.158 175.800 -0.524 0.000 1.095 579 F CA 0.345 58.016 58.000 -0.548 0.000 1.244 579 F CB 0.369 38.907 39.000 -0.770 0.000 1.063 579 F HN 0.312 nan 8.300 nan 0.000 0.582 580 G N 1.200 109.671 108.800 -0.549 0.000 2.249 580 G HA2 -0.231 3.723 3.960 -0.011 0.000 0.273 580 G HA3 -0.231 3.723 3.960 -0.011 0.000 0.273 580 G C -0.129 174.038 174.900 -1.221 0.000 1.036 580 G CA 0.343 44.778 45.100 -1.109 0.000 0.824 580 G HN 0.337 nan 8.290 nan 0.000 0.504 581 E N -1.018 118.637 120.200 -0.907 0.000 2.446 581 E HA 0.541 4.885 4.350 -0.011 0.000 0.276 581 E C -0.678 175.916 176.600 -0.009 0.000 0.969 581 E CA -0.553 55.635 56.400 -0.352 0.000 0.800 581 E CB 1.316 30.984 29.700 -0.054 0.000 1.341 581 E HN 0.326 nan 8.360 nan 0.000 0.460 582 S N 0.289 116.128 115.700 0.230 0.000 2.465 582 S HA 0.130 4.594 4.470 -0.011 0.000 0.279 582 S C 0.532 175.195 174.600 0.104 0.000 1.201 582 S CA -0.391 58.002 58.200 0.322 0.000 1.053 582 S CB 0.116 63.473 63.200 0.261 0.000 0.953 582 S HN 0.652 nan 8.310 nan 0.000 0.488 583 Y N 5.581 125.781 120.300 -0.167 0.000 2.200 583 Y HA -0.111 4.433 4.550 -0.011 0.000 0.290 583 Y C 2.507 178.135 175.900 -0.453 0.000 1.137 583 Y CA 1.927 59.608 58.100 -0.699 0.000 1.163 583 Y CB -0.156 37.819 38.460 -0.808 0.000 0.988 583 Y HN 0.811 nan 8.280 nan 0.000 0.518 584 R N 0.564 120.942 120.500 -0.202 0.000 2.094 584 R HA -0.251 4.083 4.340 -0.011 0.000 0.239 584 R C 2.334 178.397 176.300 -0.395 0.000 1.137 584 R CA 1.790 57.736 56.100 -0.256 0.000 0.943 584 R CB -0.733 29.644 30.300 0.129 0.000 0.850 584 R HN 0.447 nan 8.270 nan 0.000 0.433 585 A N -0.064 122.643 122.820 -0.188 0.000 1.933 585 A HA -0.222 4.091 4.320 -0.011 0.000 0.218 585 A C 2.049 179.467 177.584 -0.278 0.000 1.175 585 A CA 1.424 53.364 52.037 -0.163 0.000 0.628 585 A CB -0.929 18.051 19.000 -0.034 0.000 0.814 585 A HN 0.682 nan 8.150 nan 0.000 0.444 586 Y N 0.483 120.499 120.300 -0.472 0.000 2.165 586 Y HA -0.218 4.325 4.550 -0.011 0.000 0.286 586 Y C 2.398 177.860 175.900 -0.730 0.000 1.155 586 Y CA 2.112 59.894 58.100 -0.530 0.000 1.164 586 Y CB -0.162 37.948 38.460 -0.584 0.000 0.978 586 Y HN 0.155 nan 8.280 nan 0.000 0.513 587 R N 0.794 120.571 120.500 -1.205 0.000 2.090 587 R HA -0.094 4.240 4.340 -0.011 0.000 0.228 587 R C 2.117 177.763 176.300 -1.091 0.000 1.110 587 R CA 1.590 56.773 56.100 -1.528 0.000 0.973 587 R CB -0.614 28.129 30.300 -2.596 0.000 0.869 587 R HN 0.592 nan 8.270 nan 0.000 0.440 588 E N 0.442 120.157 120.200 -0.809 0.000 2.110 588 E HA -0.161 4.183 4.350 -0.011 0.000 0.193 588 E C 1.365 177.789 176.600 -0.294 0.000 0.988 588 E CA 1.045 57.223 56.400 -0.370 0.000 0.804 588 E CB -0.003 29.595 29.700 -0.171 0.000 0.745 588 E HN 0.267 nan 8.360 nan 0.000 0.458 589 D N 0.499 120.693 120.400 -0.345 0.000 2.117 589 D HA -0.144 4.489 4.640 -0.011 0.000 0.198 589 D C 1.887 178.012 176.300 -0.292 0.000 0.982 589 D CA 0.875 54.716 54.000 -0.264 0.000 0.828 589 D CB -0.159 40.496 40.800 -0.240 0.000 0.967 589 D HN 0.127 nan 8.370 nan 0.000 0.464 590 M N 0.396 119.719 119.600 -0.462 0.000 2.159 590 M HA -0.117 4.357 4.480 -0.011 0.000 0.263 590 M C 2.098 178.252 176.300 -0.244 0.000 1.063 590 M CA 0.877 55.932 55.300 -0.408 0.000 1.110 590 M CB 0.102 32.318 32.600 -0.641 0.000 1.374 590 M HN 0.017 nan 8.290 nan 0.000 0.411 591 L N 0.152 121.229 121.223 -0.243 0.000 2.017 591 L HA -0.272 4.061 4.340 -0.011 0.000 0.208 591 L C 2.261 179.092 176.870 -0.065 0.000 1.073 591 L CA 1.709 56.491 54.840 -0.096 0.000 0.745 591 L CB -0.391 41.655 42.059 -0.022 0.000 0.894 591 L HN 0.318 nan 8.230 nan 0.000 0.432 592 K N -0.500 119.849 120.400 -0.085 0.000 2.009 592 K HA -0.212 4.102 4.320 -0.011 0.000 0.210 592 K C 2.135 178.709 176.600 -0.044 0.000 1.049 592 K CA 1.654 57.908 56.287 -0.056 0.000 0.929 592 K CB -0.136 32.328 32.500 -0.061 0.000 0.714 592 K HN 0.345 nan 8.250 nan 0.000 0.440 593 R N 0.743 121.209 120.500 -0.057 0.000 2.083 593 R HA -0.151 4.182 4.340 -0.011 0.000 0.237 593 R C 1.899 178.210 176.300 0.019 0.000 1.137 593 R CA 1.657 57.742 56.100 -0.025 0.000 0.951 593 R CB -0.358 29.916 30.300 -0.044 0.000 0.851 593 R HN 0.234 nan 8.270 nan 0.000 0.434 594 D N -0.309 120.107 120.400 0.027 0.000 2.178 594 D HA -0.073 4.560 4.640 -0.011 0.000 0.202 594 D C 1.717 178.036 176.300 0.031 0.000 0.974 594 D CA 1.194 55.264 54.000 0.116 0.000 0.841 594 D CB -0.150 40.741 40.800 0.152 0.000 0.953 594 D HN 0.182 nan 8.370 nan 0.000 0.478 595 T N 0.740 115.282 114.554 -0.019 0.000 2.821 595 T HA -0.040 4.303 4.350 -0.011 0.000 0.267 595 T C 2.177 176.848 174.700 -0.048 0.000 1.046 595 T CA 0.493 62.556 62.100 -0.061 0.000 1.139 595 T CB -0.070 68.772 68.868 -0.044 0.000 0.871 595 T HN 0.141 nan 8.240 nan 0.000 0.454 596 L N 0.492 121.710 121.223 -0.009 0.000 2.072 596 L HA -0.023 4.311 4.340 -0.011 0.000 0.205 596 L C 2.793 179.691 176.870 0.047 0.000 1.079 596 L CA 1.092 55.938 54.840 0.009 0.000 0.752 596 L CB -0.379 41.688 42.059 0.013 0.000 0.906 596 L HN 0.162 nan 8.230 nan 0.000 0.436 597 E N 0.534 120.792 120.200 0.096 0.000 2.106 597 E HA -0.228 4.116 4.350 -0.011 0.000 0.192 597 E C 1.957 178.714 176.600 0.261 0.000 0.984 597 E CA 0.914 57.449 56.400 0.225 0.000 0.806 597 E CB -0.209 29.679 29.700 0.312 0.000 0.750 597 E HN 0.230 nan 8.360 nan 0.000 0.458 598 L N 0.551 121.742 121.223 -0.054 0.000 2.083 598 L HA -0.145 4.189 4.340 -0.011 0.000 0.209 598 L C 2.078 178.918 176.870 -0.050 0.000 1.083 598 L CA 2.251 56.865 54.840 -0.376 0.000 0.752 598 L CB -0.883 40.794 42.059 -0.635 0.000 0.899 598 L HN 0.230 nan 8.230 nan 0.000 0.433 599 S N -0.978 114.713 115.700 -0.016 0.000 2.500 599 S HA -0.232 4.231 4.470 -0.011 0.000 0.239 599 S C 2.107 176.729 174.600 0.037 0.000 0.989 599 S CA 0.976 59.177 58.200 0.000 0.000 0.951 599 S CB -0.785 62.408 63.200 -0.011 0.000 0.759 599 S HN 0.647 nan 8.310 nan 0.000 0.523 600 R N -0.593 119.972 120.500 0.107 0.000 2.240 600 R HA 0.078 4.411 4.340 -0.011 0.000 0.203 600 R C 0.849 177.072 176.300 -0.129 0.000 1.011 600 R CA 0.730 56.831 56.100 0.002 0.000 1.007 600 R CB -0.062 30.240 30.300 0.004 0.000 0.911 600 R HN 0.551 nan 8.270 nan 0.000 0.468 601 Y N -1.064 119.246 120.300 0.017 0.000 2.535 601 Y HA 0.231 4.775 4.550 -0.011 0.000 0.266 601 Y C 0.351 176.246 175.900 -0.009 0.000 1.088 601 Y CA -0.213 57.907 58.100 0.033 0.000 1.285 601 Y CB 0.959 39.485 38.460 0.109 0.000 1.166 601 Y HN -0.255 nan 8.280 nan 0.000 0.525 602 V N 1.254 121.226 119.914 0.098 0.000 2.318 602 V HA 0.353 4.467 4.120 -0.011 0.000 0.271 602 V C 1.024 177.119 176.094 0.003 0.000 1.030 602 V CA -0.176 62.141 62.300 0.028 0.000 0.844 602 V CB 0.531 32.341 31.823 -0.021 0.000 1.015 602 V HN 0.355 nan 8.190 nan 0.000 0.460 603 A N 4.236 127.056 122.820 0.000 0.000 1.892 603 A HA -0.179 4.135 4.320 -0.011 0.000 0.218 603 A C 2.437 180.011 177.584 -0.016 0.000 1.188 603 A CA 2.403 54.434 52.037 -0.011 0.000 0.631 603 A CB -0.608 18.386 19.000 -0.011 0.000 0.822 603 A HN 0.888 nan 8.150 nan 0.000 0.447 604 S N 0.480 116.170 115.700 -0.017 0.000 2.521 604 S HA -0.240 4.224 4.470 -0.011 0.000 0.246 604 S C 1.341 175.925 174.600 -0.026 0.000 1.059 604 S CA 1.929 60.115 58.200 -0.023 0.000 1.302 604 S CB -0.925 62.259 63.200 -0.028 0.000 1.216 604 S HN 0.722 nan 8.310 nan 0.000 0.421 605 M N 1.776 121.357 119.600 -0.032 0.000 2.248 605 M HA 0.410 4.884 4.480 -0.011 0.000 0.343 605 M C 0.512 176.795 176.300 -0.028 0.000 1.243 605 M CA 0.092 55.371 55.300 -0.034 0.000 1.025 605 M CB -0.381 32.192 32.600 -0.045 0.000 1.759 605 M HN 0.452 nan 8.290 nan 0.000 0.452 606 A N 3.846 126.651 122.820 -0.025 0.000 2.454 606 A HA 0.058 4.371 4.320 -0.011 0.000 0.256 606 A C 0.962 178.533 177.584 -0.020 0.000 1.132 606 A CA 0.014 52.038 52.037 -0.021 0.000 0.810 606 A CB 0.013 19.001 19.000 -0.020 0.000 1.083 606 A HN 0.968 nan 8.150 nan 0.000 0.516 607 R N -0.540 119.950 120.500 -0.017 0.000 2.366 607 R HA -0.017 4.316 4.340 -0.011 0.000 0.201 607 R C 0.235 176.527 176.300 -0.013 0.000 1.057 607 R CA 1.138 57.229 56.100 -0.015 0.000 1.086 607 R CB -0.192 30.099 30.300 -0.014 0.000 0.914 607 R HN 0.729 nan 8.270 nan 0.000 0.476 608 Q N -1.724 118.066 119.800 -0.016 0.000 1.576 608 Q HA 0.117 4.450 4.340 -0.011 0.000 0.149 608 Q C -1.210 174.777 176.000 -0.022 0.000 0.767 608 Q CA -0.214 55.579 55.803 -0.017 0.000 0.736 608 Q CB 0.646 29.376 28.738 -0.013 0.000 1.231 608 Q HN 0.295 nan 8.270 nan 0.000 0.343 609 A N 0.216 123.021 122.820 -0.025 0.000 2.445 609 A HA 0.643 4.956 4.320 -0.011 0.000 0.242 609 A C 0.952 178.515 177.584 -0.034 0.000 1.075 609 A CA 0.700 52.720 52.037 -0.028 0.000 0.777 609 A CB 0.262 19.244 19.000 -0.029 0.000 1.013 609 A HN 0.332 nan 8.150 nan 0.000 0.493 610 G N -0.582 108.198 108.800 -0.033 0.000 2.418 610 G HA2 0.320 4.273 3.960 -0.011 0.000 0.276 610 G HA3 0.320 4.273 3.960 -0.011 0.000 0.276 610 G C 0.558 175.429 174.900 -0.048 0.000 1.442 610 G CA -0.192 44.886 45.100 -0.036 0.000 1.066 610 G HN 0.698 nan 8.290 nan 0.000 0.553 611 L N 0.689 121.883 121.223 -0.048 0.000 2.640 611 L HA 0.195 4.528 4.340 -0.011 0.000 0.230 611 L C 2.893 179.730 176.870 -0.056 0.000 1.123 611 L CA 0.443 55.248 54.840 -0.059 0.000 0.900 611 L CB -0.150 41.875 42.059 -0.056 0.000 1.146 611 L HN 0.610 nan 8.230 nan 0.000 0.484 612 A N 1.761 124.553 122.820 -0.047 0.000 1.906 612 A HA -0.301 4.013 4.320 -0.011 0.000 0.222 612 A C 2.189 179.742 177.584 -0.051 0.000 1.282 612 A CA 2.572 54.582 52.037 -0.045 0.000 0.675 612 A CB -0.501 18.477 19.000 -0.038 0.000 0.838 612 A HN 0.588 nan 8.150 nan 0.000 0.469 613 E N 0.429 120.597 120.200 -0.053 0.000 2.418 613 E HA 0.021 4.365 4.350 -0.011 0.000 0.197 613 E C 0.463 177.022 176.600 -0.068 0.000 1.026 613 E CA 0.143 56.509 56.400 -0.057 0.000 0.862 613 E CB -0.715 28.954 29.700 -0.051 0.000 0.799 613 E HN 0.637 nan 8.360 nan 0.000 0.518 614 L N 2.587 123.765 121.223 -0.075 0.000 2.349 614 L HA 0.188 4.522 4.340 -0.011 0.000 0.275 614 L C 0.871 177.682 176.870 -0.099 0.000 1.115 614 L CA -0.364 54.423 54.840 -0.089 0.000 0.820 614 L CB 1.043 43.047 42.059 -0.092 0.000 1.135 614 L HN -0.005 nan 8.230 nan 0.000 0.445 615 T N -0.665 113.816 114.554 -0.122 0.000 2.874 615 T HA 0.289 4.632 4.350 -0.011 0.000 0.281 615 T C -1.903 172.698 174.700 -0.164 0.000 0.994 615 T CA -1.834 60.178 62.100 -0.145 0.000 1.015 615 T CB 1.529 70.290 68.868 -0.178 0.000 1.028 615 T HN 0.305 nan 8.240 nan 0.000 0.523 616 P HA -0.056 nan 4.420 nan 0.000 0.216 616 P C 1.575 178.736 177.300 -0.232 0.000 1.153 616 P CA 1.095 64.096 63.100 -0.164 0.000 0.858 616 P CB -0.119 31.485 31.700 -0.159 0.000 0.789 617 I N -0.635 119.694 120.570 -0.400 0.000 2.226 617 I HA -0.222 3.942 4.170 -0.011 0.000 0.245 617 I C 1.791 177.652 176.117 -0.426 0.000 1.100 617 I CA 1.443 62.311 61.300 -0.720 0.000 1.374 617 I CB -0.758 36.611 38.000 -1.051 0.000 1.057 617 I HN -0.041 nan 8.210 nan 0.000 0.413 618 D N 1.116 121.351 120.400 -0.276 0.000 2.123 618 D HA -0.149 4.485 4.640 -0.011 0.000 0.196 618 D C 2.364 178.606 176.300 -0.097 0.000 0.992 618 D CA 1.338 55.242 54.000 -0.160 0.000 0.833 618 D CB -0.232 40.490 40.800 -0.131 0.000 0.954 618 D HN 0.327 nan 8.370 nan 0.000 0.455 619 L N 0.914 122.083 121.223 -0.090 0.000 2.027 619 L HA -0.113 4.221 4.340 -0.011 0.000 0.206 619 L C 2.429 179.321 176.870 0.036 0.000 1.074 619 L CA 0.893 55.717 54.840 -0.027 0.000 0.745 619 L CB -0.360 41.684 42.059 -0.026 0.000 0.898 619 L HN -0.099 nan 8.230 nan 0.000 0.433 620 E N 0.090 120.318 120.200 0.046 0.000 2.110 620 E HA -0.166 4.178 4.350 -0.011 0.000 0.193 620 E C 2.336 179.050 176.600 0.189 0.000 0.988 620 E CA 1.142 57.640 56.400 0.165 0.000 0.804 620 E CB -0.222 29.660 29.700 0.303 0.000 0.745 620 E HN 0.321 nan 8.360 nan 0.000 0.458 621 V N 1.135 121.133 119.914 0.140 0.000 2.591 621 V HA -0.151 3.962 4.120 -0.011 0.000 0.249 621 V C 2.369 178.522 176.094 0.099 0.000 1.053 621 V CA 0.888 63.270 62.300 0.137 0.000 1.068 621 V CB -0.313 31.568 31.823 0.097 0.000 0.689 621 V HN 0.174 nan 8.190 nan 0.000 0.462 622 L N -0.039 121.239 121.223 0.091 0.000 2.217 622 L HA -0.016 4.318 4.340 -0.011 0.000 0.211 622 L C 2.523 179.507 176.870 0.190 0.000 1.107 622 L CA 1.253 56.184 54.840 0.152 0.000 0.783 622 L CB -0.493 41.635 42.059 0.115 0.000 0.919 622 L HN 0.345 nan 8.230 nan 0.000 0.442 623 A N -1.494 121.419 122.820 0.154 0.000 2.072 623 A HA -0.078 4.236 4.320 -0.011 0.000 0.216 623 A C 0.512 178.169 177.584 0.123 0.000 1.156 623 A CA 0.892 53.019 52.037 0.149 0.000 0.701 623 A CB 0.052 19.150 19.000 0.162 0.000 0.816 623 A HN 0.319 nan 8.150 nan 0.000 0.458 624 D N -2.206 118.268 120.400 0.124 0.000 2.411 624 D HA 0.301 4.934 4.640 -0.011 0.000 0.239 624 D C -2.540 173.818 176.300 0.097 0.000 1.307 624 D CA -1.414 52.657 54.000 0.118 0.000 0.930 624 D CB 1.095 41.986 40.800 0.152 0.000 1.395 624 D HN -0.125 nan 8.370 nan 0.000 0.536 625 P HA -0.077 nan 4.420 nan 0.000 0.221 625 P C 1.086 178.410 177.300 0.040 0.000 1.145 625 P CA 0.799 63.923 63.100 0.038 0.000 0.795 625 P CB 0.312 32.010 31.700 -0.003 0.000 0.775 626 N N -0.524 118.220 118.700 0.073 0.000 2.205 626 N HA -0.149 4.584 4.740 -0.011 0.000 0.186 626 N C 1.421 176.913 175.510 -0.031 0.000 1.015 626 N CA 1.055 54.175 53.050 0.116 0.000 0.862 626 N CB -0.287 38.349 38.487 0.247 0.000 0.986 626 N HN 0.075 nan 8.380 nan 0.000 0.429 627 K N -0.457 119.835 120.400 -0.180 0.000 2.280 627 K HA -0.088 4.226 4.320 -0.011 0.000 0.202 627 K C 1.030 177.365 176.600 -0.442 0.000 1.047 627 K CA 0.474 56.362 56.287 -0.666 0.000 0.942 627 K CB -0.038 32.245 32.500 -0.361 0.000 0.739 627 K HN 0.159 nan 8.250 nan 0.000 0.457 628 L N 0.651 121.818 121.223 -0.093 0.000 2.610 628 L HA -0.042 4.292 4.340 -0.011 0.000 0.232 628 L C 1.429 178.301 176.870 0.004 0.000 1.149 628 L CA 1.308 56.169 54.840 0.036 0.000 0.872 628 L CB 0.052 42.163 42.059 0.088 0.000 0.992 628 L HN 0.003 nan 8.230 nan 0.000 0.447 629 Q N -1.968 117.795 119.800 -0.061 0.000 2.217 629 Q HA 0.082 4.416 4.340 -0.011 0.000 0.217 629 Q C 0.191 176.257 176.000 0.109 0.000 0.844 629 Q CA 0.426 56.259 55.803 0.051 0.000 0.957 629 Q CB 0.398 29.207 28.738 0.117 0.000 1.127 629 Q HN 0.627 nan 8.270 nan 0.000 0.503 630 Y N -4.562 115.711 120.300 -0.043 0.000 2.633 630 Y HA 0.451 4.994 4.550 -0.011 0.000 0.298 630 Y C 1.042 176.829 175.900 -0.187 0.000 0.951 630 Y CA -0.219 57.828 58.100 -0.088 0.000 1.079 630 Y CB -0.068 38.338 38.460 -0.090 0.000 1.430 630 Y HN -0.091 nan 8.280 nan 0.000 0.590 631 K N -0.340 119.656 120.400 -0.673 0.000 2.266 631 K HA 0.204 4.518 4.320 -0.011 0.000 0.209 631 K C -0.172 176.031 176.600 -0.662 0.000 1.065 631 K CA 0.329 56.132 56.287 -0.808 0.000 0.946 631 K CB 0.561 32.184 32.500 -1.462 0.000 1.069 631 K HN 0.135 nan 8.250 nan 0.000 0.472 632 W N 0.397 121.564 121.300 -0.220 0.000 2.804 632 W HA 0.393 5.046 4.660 -0.011 0.000 0.352 632 W C -0.001 176.456 176.519 -0.103 0.000 1.153 632 W CA -0.724 56.527 57.345 -0.157 0.000 1.119 632 W CB 0.690 30.065 29.460 -0.141 0.000 1.448 632 W HN -0.121 nan 8.180 nan 0.000 0.600 633 T N -0.424 114.235 114.554 0.175 0.000 2.930 633 T HA 0.124 4.467 4.350 -0.011 0.000 0.290 633 T C 0.988 175.743 174.700 0.091 0.000 1.052 633 T CA -0.343 61.820 62.100 0.105 0.000 1.017 633 T CB 1.549 70.420 68.868 0.005 0.000 1.137 633 T HN 0.543 nan 8.240 nan 0.000 0.511 634 E N 1.758 122.003 120.200 0.076 0.000 2.169 634 E HA -0.238 4.106 4.350 -0.011 0.000 0.202 634 E C 1.830 178.326 176.600 -0.174 0.000 1.016 634 E CA 1.946 58.287 56.400 -0.100 0.000 0.817 634 E CB -0.420 29.091 29.700 -0.315 0.000 0.736 634 E HN 0.681 nan 8.360 nan 0.000 0.462 635 A N 0.730 123.486 122.820 -0.106 0.000 2.121 635 A HA -0.147 4.167 4.320 -0.011 0.000 0.218 635 A C 1.438 178.979 177.584 -0.073 0.000 1.154 635 A CA 1.457 53.432 52.037 -0.103 0.000 0.679 635 A CB -0.151 18.788 19.000 -0.101 0.000 0.795 635 A HN 0.349 nan 8.150 nan 0.000 0.458 636 D N -0.617 119.750 120.400 -0.054 0.000 2.340 636 D HA 0.130 4.764 4.640 -0.011 0.000 0.220 636 D C 0.062 176.248 176.300 -0.191 0.000 1.039 636 D CA 0.388 54.316 54.000 -0.121 0.000 0.866 636 D CB 0.320 41.023 40.800 -0.161 0.000 0.913 636 D HN 0.207 nan 8.370 nan 0.000 0.523 637 V N 1.063 120.911 119.914 -0.109 0.000 2.483 637 V HA 0.172 4.286 4.120 -0.011 0.000 0.295 637 V C 0.594 176.652 176.094 -0.060 0.000 1.035 637 V CA -0.904 61.347 62.300 -0.082 0.000 0.896 637 V CB 1.951 33.808 31.823 0.057 0.000 0.986 637 V HN -0.083 nan 8.190 nan 0.000 0.447 638 S N 2.838 118.496 115.700 -0.071 0.000 2.558 638 S HA 0.142 4.606 4.470 -0.011 0.000 0.291 638 S C 1.515 176.108 174.600 -0.012 0.000 1.306 638 S CA 0.203 58.371 58.200 -0.054 0.000 1.056 638 S CB 1.070 64.233 63.200 -0.061 0.000 0.836 638 S HN 1.048 nan 8.310 nan 0.000 0.504 639 A N 3.835 126.643 122.820 -0.019 0.000 1.908 639 A HA -0.209 4.105 4.320 -0.011 0.000 0.218 639 A C 2.061 179.664 177.584 0.031 0.000 1.181 639 A CA 1.804 53.843 52.037 0.004 0.000 0.627 639 A CB -0.736 18.251 19.000 -0.022 0.000 0.818 639 A HN 0.925 nan 8.150 nan 0.000 0.445 640 N N 0.194 118.897 118.700 0.004 0.000 2.381 640 N HA -0.117 4.617 4.740 -0.011 0.000 0.182 640 N C 1.280 176.797 175.510 0.011 0.000 1.025 640 N CA 1.567 54.619 53.050 0.003 0.000 0.888 640 N CB -0.402 38.076 38.487 -0.014 0.000 0.965 640 N HN 0.402 nan 8.380 nan 0.000 0.438 641 I N 0.828 121.404 120.570 0.010 0.000 2.584 641 I HA -0.084 4.080 4.170 -0.011 0.000 0.255 641 I C 2.364 178.498 176.117 0.029 0.000 1.145 641 I CA 0.667 61.967 61.300 0.001 0.000 1.462 641 I CB -1.364 36.620 38.000 -0.027 0.000 1.102 641 I HN 0.285 nan 8.210 nan 0.000 0.433 642 H N 1.751 120.808 119.070 -0.021 0.000 2.389 642 H HA -0.102 4.447 4.556 -0.011 0.000 0.299 642 H C 1.698 177.028 175.328 0.004 0.000 1.081 642 H CA 1.365 57.409 56.048 -0.006 0.000 1.345 642 H CB 0.458 30.213 29.762 -0.013 0.000 1.393 642 H HN 0.402 nan 8.280 nan 0.000 0.520 643 E N -0.072 120.173 120.200 0.075 0.000 2.204 643 E HA -0.104 4.239 4.350 -0.011 0.000 0.195 643 E C 2.347 178.953 176.600 0.011 0.000 0.990 643 E CA 0.780 57.197 56.400 0.028 0.000 0.821 643 E CB 0.269 29.979 29.700 0.018 0.000 0.750 643 E HN 0.253 nan 8.360 nan 0.000 0.477 644 V N 1.009 120.935 119.914 0.020 0.000 2.427 644 V HA -0.221 3.893 4.120 -0.011 0.000 0.248 644 V C 2.068 178.185 176.094 0.040 0.000 1.051 644 V CA 1.425 63.764 62.300 0.066 0.000 1.048 644 V CB -0.218 31.652 31.823 0.078 0.000 0.666 644 V HN 0.266 nan 8.190 nan 0.000 0.456 645 L N -1.494 119.700 121.223 -0.047 0.000 2.354 645 L HA 0.187 4.520 4.340 -0.011 0.000 0.212 645 L C 0.712 177.525 176.870 -0.095 0.000 1.091 645 L CA 0.478 55.270 54.840 -0.080 0.000 0.828 645 L CB -0.014 41.965 42.059 -0.133 0.000 0.973 645 L HN 0.264 nan 8.230 nan 0.000 0.461 646 M N -1.370 118.151 119.600 -0.131 0.000 2.644 646 M HA 0.426 4.899 4.480 -0.011 0.000 0.304 646 M C -1.009 175.324 176.300 0.054 0.000 1.215 646 M CA -0.357 54.914 55.300 -0.048 0.000 0.871 646 M CB 1.927 34.468 32.600 -0.098 0.000 1.740 646 M HN -0.115 nan 8.290 nan 0.000 0.464 647 H N -0.195 118.889 119.070 0.024 0.000 2.637 647 H HA 0.719 5.269 4.556 -0.010 0.000 0.363 647 H C -1.132 174.235 175.328 0.064 0.000 1.131 647 H CA -0.224 55.849 56.048 0.042 0.000 1.183 647 H CB 2.041 31.819 29.762 0.027 0.000 1.637 647 H HN 0.844 nan 8.280 nan 0.000 0.531 648 G N 2.200 111.081 108.800 0.134 0.000 2.471 648 G HA2 0.484 4.437 3.960 -0.011 0.000 0.332 648 G HA3 0.484 4.437 3.960 -0.011 0.000 0.332 648 G C -0.787 174.271 174.900 0.263 0.000 1.176 648 G CA -0.471 44.743 45.100 0.190 0.000 0.949 648 G HN 0.439 nan 8.290 nan 0.000 0.488 649 V N 0.653 120.670 119.914 0.171 0.000 2.716 649 V HA 0.378 4.491 4.120 -0.011 0.000 0.304 649 V C 0.934 177.084 176.094 0.093 0.000 1.053 649 V CA -0.563 61.815 62.300 0.130 0.000 0.984 649 V CB 1.615 33.493 31.823 0.091 0.000 1.021 649 V HN 1.053 nan 8.190 nan 0.000 0.467 650 S N 2.859 118.605 115.700 0.077 0.000 2.573 650 S HA 0.010 4.474 4.470 -0.011 0.000 0.297 650 S C 1.060 175.691 174.600 0.051 0.000 1.280 650 S CA -0.339 57.895 58.200 0.057 0.000 1.061 650 S CB 0.661 63.890 63.200 0.047 0.000 0.812 650 S HN 0.474 nan 8.310 nan 0.000 0.500 651 V N 2.870 122.809 119.914 0.042 0.000 2.407 651 V HA -0.156 3.957 4.120 -0.011 0.000 0.248 651 V C 2.429 178.547 176.094 0.041 0.000 1.055 651 V CA 2.173 64.496 62.300 0.039 0.000 1.049 651 V CB -1.311 30.527 31.823 0.025 0.000 0.662 651 V HN 0.871 nan 8.190 nan 0.000 0.455 652 E N 0.613 120.835 120.200 0.036 0.000 2.110 652 E HA -0.190 4.153 4.350 -0.011 0.000 0.193 652 E C 2.149 178.779 176.600 0.050 0.000 0.988 652 E CA 1.161 57.582 56.400 0.036 0.000 0.804 652 E CB -0.332 29.384 29.700 0.028 0.000 0.745 652 E HN 0.559 nan 8.360 nan 0.000 0.458 653 K N -0.035 120.397 120.400 0.054 0.000 2.103 653 K HA -0.054 4.259 4.320 -0.011 0.000 0.204 653 K C 2.395 179.062 176.600 0.111 0.000 1.052 653 K CA 1.631 57.959 56.287 0.068 0.000 0.945 653 K CB -0.245 32.283 32.500 0.046 0.000 0.722 653 K HN 0.319 nan 8.250 nan 0.000 0.443 654 T N -0.967 113.650 114.554 0.105 0.000 2.904 654 T HA -0.117 4.227 4.350 -0.011 0.000 0.267 654 T C 1.858 176.670 174.700 0.186 0.000 1.059 654 T CA 1.008 63.207 62.100 0.165 0.000 1.137 654 T CB 0.031 68.970 68.868 0.118 0.000 0.879 654 T HN 0.233 nan 8.240 nan 0.000 0.467 655 E N 0.962 121.225 120.200 0.106 0.000 2.051 655 E HA -0.191 4.153 4.350 -0.011 0.000 0.192 655 E C 2.523 179.160 176.600 0.062 0.000 0.991 655 E CA 0.960 57.398 56.400 0.064 0.000 0.799 655 E CB -0.140 29.583 29.700 0.037 0.000 0.748 655 E HN 0.552 nan 8.360 nan 0.000 0.449 656 R N -0.528 120.022 120.500 0.084 0.000 2.092 656 R HA -0.162 4.172 4.340 -0.011 0.000 0.231 656 R C 2.263 178.627 176.300 0.107 0.000 1.119 656 R CA 1.426 57.571 56.100 0.075 0.000 0.970 656 R CB -0.378 29.968 30.300 0.076 0.000 0.864 656 R HN 0.231 nan 8.270 nan 0.000 0.440 657 F N 0.893 120.864 119.950 0.035 0.000 2.075 657 F HA -0.194 4.326 4.527 -0.011 0.000 0.297 657 F C 1.689 177.523 175.800 0.057 0.000 1.113 657 F CA 1.222 59.267 58.000 0.075 0.000 1.218 657 F CB -0.414 38.638 39.000 0.087 0.000 0.984 657 F HN -0.012 nan 8.300 nan 0.000 0.472 658 L N 1.021 122.207 121.223 -0.063 0.000 2.042 658 L HA -0.210 4.124 4.340 -0.011 0.000 0.210 658 L C 2.627 179.333 176.870 -0.274 0.000 1.076 658 L CA 1.995 56.695 54.840 -0.233 0.000 0.749 658 L CB -1.608 40.411 42.059 -0.067 0.000 0.893 658 L HN 0.247 nan 8.230 nan 0.000 0.432 659 R N -0.187 120.222 120.500 -0.152 0.000 2.103 659 R HA -0.177 4.157 4.340 -0.011 0.000 0.242 659 R C 2.336 178.545 176.300 -0.152 0.000 1.142 659 R CA 1.853 57.874 56.100 -0.133 0.000 0.960 659 R CB -0.197 30.064 30.300 -0.065 0.000 0.858 659 R HN 0.510 nan 8.270 nan 0.000 0.439 660 S N -1.099 114.521 115.700 -0.133 0.000 2.522 660 S HA 0.018 4.482 4.470 -0.011 0.000 0.227 660 S C 1.662 176.211 174.600 -0.086 0.000 0.986 660 S CA 0.655 58.831 58.200 -0.039 0.000 0.929 660 S CB 0.465 63.709 63.200 0.074 0.000 0.769 660 S HN 0.171 nan 8.310 nan 0.000 0.529 661 V N 1.122 120.804 119.914 -0.387 0.000 2.521 661 V HA 0.264 4.378 4.120 -0.011 0.000 0.239 661 V C 1.421 177.064 176.094 -0.750 0.000 1.053 661 V CA 0.756 62.658 62.300 -0.662 0.000 1.073 661 V CB -0.438 30.776 31.823 -1.014 0.000 0.746 661 V HN 0.433 nan 8.190 nan 0.000 0.476 662 M N 0.651 119.805 119.600 -0.743 0.000 2.207 662 M HA 0.208 4.681 4.480 -0.011 0.000 0.311 662 M C -2.188 173.768 176.300 -0.573 0.000 1.127 662 M CA -1.194 53.575 55.300 -0.885 0.000 1.181 662 M CB -0.144 32.086 32.600 -0.616 0.000 1.409 662 M HN 0.020 nan 8.290 nan 0.000 0.461 663 P HA -0.042 nan 4.420 nan 0.000 0.262 663 P C -0.943 176.255 177.300 -0.169 0.000 1.182 663 P CA 0.282 63.232 63.100 -0.250 0.000 0.761 663 P CB 0.235 31.845 31.700 -0.149 0.000 0.795 664 R N 0.000 120.430 120.500 -0.116 0.000 2.786 664 R HA 0.000 4.334 4.340 -0.011 0.000 0.208 664 R CA 0.000 56.053 56.100 -0.079 0.000 0.921 664 R CB 0.000 30.269 30.300 -0.051 0.000 0.687 664 R HN 0.000 nan 8.270 nan 0.000 0.535