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 2cij_1_A DATA FIRST_RESID 57 DATA SEQUENCE NMKAFLDELK AENIKKFLYN FTQIPHLAGT EQNFQLAKQI QSQWKEFGLD DATA SEQUENCE SVELAHYDVL LSYPNKTHPN YISIINEDGN EIFNTSLFEP PPPGYENVSD DATA SEQUENCE IVPPFSAFSP QGMPEGDLVY VNYARTEDFF KLERDMKINC SGKIVIARYG DATA SEQUENCE KVFRGNKVKN AQLAGAKGVI LYSDPADYFA PGVKSYPDGW NLPGGGVQRG DATA SEQUENCE NILNLNGAGD PLTPGYPANE YAYRRGIAEA VGLPSIPVHP IGYYDAQKLL DATA SEQUENCE EKMGGSAPPD SSWRGSLKVP YNVGPGFTXX FSTQKVKMHI HSTNEVTRIY DATA SEQUENCE NVIGTLRGAV EPDRYVILGG HRDSWVFGGI DPQSGAAVVH EIVRSFGTLK DATA SEQUENCE KEGWRPRRTI LFASWDAEEF GLLGSTEWAE ENSRLLQERG VAYINADSSI DATA SEQUENCE EGNYTLRVDC TPLMYSLVHN LTKELKSPDE GFEGKSLYES WTKKSPSPEF DATA SEQUENCE SGMPRISKLG SGNDFEVFFQ RLGIASGRAR YTKNXXXXXF SGYPLYHSVY DATA SEQUENCE ETYELVEKFY DPMFKYHLTV AQVRGGMVFE LANSIVLPFD CRDYAVVLRK DATA SEQUENCE YADKIYSISM KHPQEMKTYS VSFDSLFSAV KNFTEIASKF SERLQDFDKS DATA SEQUENCE NPIVLRMMND QLMFLERAFI DPLGLPDRPF YRHVIYAPSS HNKYAGESFP DATA SEQUENCE GIYDALFDIE SKVDPSKAWG EVKRQIYVAA FTVQAAAETL SEVA 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 57 N HA 0.000 nan 4.740 nan 0.000 0.220 57 N C 0.000 175.344 175.510 -0.277 0.000 1.280 57 N CA 0.000 53.081 53.050 0.052 0.000 0.885 57 N CB 0.000 38.510 38.487 0.039 0.000 1.341 58 M N 0.014 119.334 119.600 -0.467 0.000 2.156 58 M HA 0.003 4.484 4.480 0.001 0.000 0.264 58 M C 2.416 178.449 176.300 -0.446 0.000 1.067 58 M CA 2.393 57.149 55.300 -0.906 0.000 1.131 58 M CB -0.443 31.726 32.600 -0.718 0.000 1.368 58 M HN 0.749 nan 8.290 nan 0.000 0.416 59 K N 0.429 120.670 120.400 -0.266 0.000 2.063 59 K HA -0.071 4.249 4.320 0.001 0.000 0.208 59 K C 1.951 178.417 176.600 -0.223 0.000 1.048 59 K CA 1.860 58.027 56.287 -0.199 0.000 0.928 59 K CB -1.802 30.617 32.500 -0.135 0.000 0.713 59 K HN 0.672 nan 8.250 nan 0.000 0.442 60 A N 0.245 122.934 122.820 -0.218 0.000 1.917 60 A HA -0.028 4.293 4.320 0.001 0.000 0.219 60 A C 2.226 179.645 177.584 -0.276 0.000 1.182 60 A CA 1.976 53.883 52.037 -0.218 0.000 0.633 60 A CB -0.620 18.259 19.000 -0.203 0.000 0.819 60 A HN 0.825 nan 8.150 nan 0.000 0.448 61 F N 0.366 120.041 119.950 -0.458 0.000 2.146 61 F HA -0.041 4.487 4.527 0.001 0.000 0.298 61 F C 1.804 177.363 175.800 -0.402 0.000 1.096 61 F CA 1.572 59.269 58.000 -0.505 0.000 1.275 61 F CB -0.329 38.273 39.000 -0.664 0.000 1.008 61 F HN 0.123 nan 8.300 nan 0.000 0.480 62 L N 0.048 120.889 121.223 -0.637 0.000 2.109 62 L HA -0.155 4.186 4.340 0.001 0.000 0.207 62 L C 2.047 178.652 176.870 -0.441 0.000 1.086 62 L CA 1.178 55.669 54.840 -0.582 0.000 0.760 62 L CB -0.823 41.067 42.059 -0.282 0.000 0.910 62 L HN 0.058 nan 8.230 nan 0.000 0.437 63 D N -0.097 120.101 120.400 -0.337 0.000 2.218 63 D HA -0.201 4.439 4.640 0.001 0.000 0.204 63 D C 2.008 178.143 176.300 -0.276 0.000 0.976 63 D CA 0.958 54.806 54.000 -0.253 0.000 0.853 63 D CB 0.069 40.752 40.800 -0.195 0.000 0.939 63 D HN 0.240 nan 8.370 nan 0.000 0.481 64 E N 0.122 120.107 120.200 -0.357 0.000 2.347 64 E HA -0.018 4.332 4.350 0.001 0.000 0.196 64 E C 0.236 176.631 176.600 -0.342 0.000 1.008 64 E CA 0.118 56.319 56.400 -0.330 0.000 0.852 64 E CB -0.074 29.417 29.700 -0.349 0.000 0.783 64 E HN 0.213 nan 8.360 nan 0.000 0.505 65 L N 2.236 123.214 121.223 -0.408 0.000 2.361 65 L HA 0.204 4.544 4.340 0.001 0.000 0.278 65 L C 0.006 176.747 176.870 -0.215 0.000 1.113 65 L CA -0.223 54.423 54.840 -0.324 0.000 0.849 65 L CB 0.626 42.471 42.059 -0.358 0.000 1.155 65 L HN -0.130 nan 8.230 nan 0.000 0.452 66 K N 2.875 123.169 120.400 -0.176 0.000 2.274 66 K HA 0.394 4.715 4.320 0.001 0.000 0.262 66 K C 0.683 177.204 176.600 -0.131 0.000 0.961 66 K CA -0.474 55.720 56.287 -0.154 0.000 0.833 66 K CB 1.855 34.251 32.500 -0.173 0.000 1.102 66 K HN 0.605 nan 8.250 nan 0.000 0.436 67 A N 2.069 124.828 122.820 -0.102 0.000 1.971 67 A HA -0.284 4.036 4.320 0.001 0.000 0.222 67 A C 2.053 179.526 177.584 -0.185 0.000 1.182 67 A CA 2.588 54.583 52.037 -0.069 0.000 0.649 67 A CB -0.418 18.566 19.000 -0.027 0.000 0.818 67 A HN 0.763 nan 8.150 nan 0.000 0.458 68 E N -0.353 119.713 120.200 -0.224 0.000 2.230 68 E HA -0.083 4.268 4.350 0.001 0.000 0.192 68 E C 1.565 177.918 176.600 -0.412 0.000 0.987 68 E CA 0.860 57.073 56.400 -0.312 0.000 0.841 68 E CB -1.021 28.533 29.700 -0.245 0.000 0.783 68 E HN 0.720 nan 8.360 nan 0.000 0.481 69 N N 0.906 119.368 118.700 -0.396 0.000 2.188 69 N HA 0.047 4.788 4.740 0.001 0.000 0.184 69 N C 2.021 177.097 175.510 -0.724 0.000 1.018 69 N CA 1.686 54.354 53.050 -0.636 0.000 0.858 69 N CB -0.360 37.856 38.487 -0.452 0.000 0.989 69 N HN 0.447 nan 8.380 nan 0.000 0.426 70 I N 1.373 121.754 120.570 -0.316 0.000 2.179 70 I HA -0.270 3.901 4.170 0.001 0.000 0.242 70 I C 2.522 178.465 176.117 -0.291 0.000 1.088 70 I CA 1.135 62.378 61.300 -0.095 0.000 1.357 70 I CB -0.265 37.787 38.000 0.087 0.000 1.051 70 I HN 0.130 nan 8.210 nan 0.000 0.409 71 K N 1.368 121.333 120.400 -0.724 0.000 2.009 71 K HA -0.280 4.041 4.320 0.001 0.000 0.210 71 K C 2.511 178.833 176.600 -0.464 0.000 1.049 71 K CA 2.254 57.894 56.287 -1.079 0.000 0.929 71 K CB -0.127 31.497 32.500 -1.460 0.000 0.714 71 K HN 0.023 nan 8.250 nan 0.000 0.440 72 K N 0.243 120.337 120.400 -0.509 0.000 2.034 72 K HA -0.182 4.139 4.320 0.001 0.000 0.214 72 K C 2.080 178.499 176.600 -0.300 0.000 1.051 72 K CA 2.012 58.038 56.287 -0.435 0.000 0.931 72 K CB -0.859 31.296 32.500 -0.576 0.000 0.715 72 K HN 0.355 nan 8.250 nan 0.000 0.446 73 F N 0.532 120.345 119.950 -0.229 0.000 2.134 73 F HA 0.081 4.608 4.527 0.001 0.000 0.299 73 F C 2.251 177.667 175.800 -0.641 0.000 1.097 73 F CA 0.933 58.641 58.000 -0.487 0.000 1.264 73 F CB -1.303 37.473 39.000 -0.373 0.000 1.001 73 F HN 0.127 nan 8.300 nan 0.000 0.479 74 L N -0.663 120.534 121.223 -0.043 0.000 2.012 74 L HA -0.263 4.078 4.340 0.001 0.000 0.210 74 L C 2.348 179.322 176.870 0.173 0.000 1.073 74 L CA 1.757 56.694 54.840 0.161 0.000 0.748 74 L CB -1.217 41.067 42.059 0.376 0.000 0.891 74 L HN 0.222 nan 8.230 nan 0.000 0.431 75 Y N 0.393 120.644 120.300 -0.081 0.000 2.097 75 Y HA -0.324 4.226 4.550 0.001 0.000 0.282 75 Y C 2.701 178.513 175.900 -0.148 0.000 1.152 75 Y CA 2.302 60.185 58.100 -0.363 0.000 1.136 75 Y CB -0.569 37.513 38.460 -0.631 0.000 0.975 75 Y HN 0.426 nan 8.280 nan 0.000 0.498 76 N N -0.270 118.416 118.700 -0.024 0.000 2.132 76 N HA -0.222 4.518 4.740 0.001 0.000 0.191 76 N C 1.327 176.923 175.510 0.143 0.000 1.015 76 N CA 1.674 54.725 53.050 0.002 0.000 0.864 76 N CB -0.345 38.147 38.487 0.009 0.000 1.006 76 N HN 0.335 nan 8.380 nan 0.000 0.430 77 F N 0.171 120.161 119.950 0.066 0.000 2.743 77 F HA 0.124 4.652 4.527 0.001 0.000 0.297 77 F C 1.965 177.896 175.800 0.219 0.000 1.131 77 F CA 0.701 58.744 58.000 0.071 0.000 1.426 77 F CB -0.528 38.483 39.000 0.019 0.000 1.116 77 F HN 0.055 nan 8.300 nan 0.000 0.583 78 T N -4.132 110.619 114.554 0.328 0.000 3.174 78 T HA 0.119 4.469 4.350 0.001 0.000 0.269 78 T C 1.328 176.176 174.700 0.247 0.000 1.017 78 T CA -0.101 62.199 62.100 0.333 0.000 0.899 78 T CB 0.277 69.338 68.868 0.322 0.000 1.077 78 T HN -0.078 nan 8.240 nan 0.000 0.552 79 Q N 1.496 121.375 119.800 0.132 0.000 2.212 79 Q HA 0.334 4.675 4.340 0.001 0.000 0.199 79 Q C 1.138 177.304 176.000 0.277 0.000 0.950 79 Q CA 0.639 56.473 55.803 0.053 0.000 0.863 79 Q CB 0.165 28.841 28.738 -0.103 0.000 0.944 79 Q HN 0.846 nan 8.270 nan 0.000 0.465 80 I N -3.053 117.660 120.570 0.239 0.000 2.892 80 I HA 0.563 4.734 4.170 0.001 0.000 0.306 80 I C -2.712 173.275 176.117 -0.217 0.000 1.078 80 I CA -3.041 58.347 61.300 0.146 0.000 1.032 80 I CB 2.243 40.221 38.000 -0.036 0.000 1.229 80 I HN -0.294 nan 8.210 nan 0.000 0.435 81 P HA 0.172 nan 4.420 nan 0.000 0.269 81 P C -1.168 175.823 177.300 -0.516 0.000 1.209 81 P CA 0.290 63.098 63.100 -0.487 0.000 0.776 81 P CB 0.089 31.519 31.700 -0.450 0.000 0.876 82 H N 0.746 119.798 119.070 -0.030 0.000 2.471 82 H HA 0.281 4.838 4.556 0.001 0.000 0.234 82 H C -0.242 175.096 175.328 0.016 0.000 1.388 82 H CA -0.806 55.240 56.048 -0.003 0.000 1.198 82 H CB -0.154 29.598 29.762 -0.017 0.000 1.714 82 H HN 0.203 nan 8.280 nan 0.000 0.536 83 L N 1.963 123.247 121.223 0.102 0.000 2.525 83 L HA 0.204 4.545 4.340 0.001 0.000 0.278 83 L C 0.534 177.514 176.870 0.183 0.000 1.218 83 L CA 0.039 54.969 54.840 0.150 0.000 0.878 83 L CB 0.038 42.224 42.059 0.212 0.000 1.127 83 L HN 0.486 nan 8.230 nan 0.000 0.492 84 A N 4.046 126.987 122.820 0.201 0.000 2.565 84 A HA 0.416 4.736 4.320 0.001 0.000 0.237 84 A C 1.417 179.069 177.584 0.112 0.000 1.053 84 A CA 0.500 52.614 52.037 0.129 0.000 0.755 84 A CB -0.706 18.316 19.000 0.036 0.000 0.980 84 A HN 1.898 nan 8.150 nan 0.000 0.506 85 G N 1.331 110.200 108.800 0.115 0.000 2.205 85 G HA2 -0.191 3.770 3.960 0.001 0.000 0.261 85 G HA3 -0.191 3.770 3.960 0.001 0.000 0.261 85 G C 0.607 175.569 174.900 0.104 0.000 0.980 85 G CA 1.312 46.485 45.100 0.122 0.000 0.632 85 G HN 2.194 nan 8.290 nan 0.000 0.533 86 T N -2.602 112.016 114.554 0.107 0.000 2.927 86 T HA 0.690 5.041 4.350 0.001 0.000 0.281 86 T C 0.999 175.758 174.700 0.099 0.000 0.998 86 T CA 0.321 62.449 62.100 0.047 0.000 1.019 86 T CB 2.185 71.065 68.868 0.020 0.000 1.061 86 T HN -0.032 nan 8.240 nan 0.000 0.518 87 E N 0.269 120.509 120.200 0.066 0.000 2.153 87 E HA -0.163 4.187 4.350 0.001 0.000 0.194 87 E C 1.927 178.615 176.600 0.147 0.000 0.988 87 E CA 1.335 57.805 56.400 0.116 0.000 0.811 87 E CB -0.081 29.657 29.700 0.063 0.000 0.746 87 E HN 0.712 nan 8.360 nan 0.000 0.466 88 Q N 0.265 120.125 119.800 0.100 0.000 2.124 88 Q HA -0.110 4.230 4.340 0.001 0.000 0.202 88 Q C 1.890 178.013 176.000 0.206 0.000 0.977 88 Q CA 1.447 57.318 55.803 0.114 0.000 0.850 88 Q CB -0.264 28.493 28.738 0.033 0.000 0.901 88 Q HN 0.123 nan 8.270 nan 0.000 0.429 89 N N -0.546 118.274 118.700 0.200 0.000 2.270 89 N HA -0.108 4.633 4.740 0.001 0.000 0.181 89 N C 1.124 176.698 175.510 0.106 0.000 1.016 89 N CA 0.488 53.639 53.050 0.168 0.000 0.870 89 N CB -0.132 38.461 38.487 0.176 0.000 0.979 89 N HN 0.211 nan 8.380 nan 0.000 0.431 90 F N 1.601 121.529 119.950 -0.037 0.000 2.102 90 F HA -0.136 4.391 4.527 0.001 0.000 0.298 90 F C 2.122 177.788 175.800 -0.224 0.000 1.105 90 F CA 1.613 59.483 58.000 -0.215 0.000 1.239 90 F CB -0.551 38.290 39.000 -0.264 0.000 0.991 90 F HN 0.113 nan 8.300 nan 0.000 0.474 91 Q N -0.235 119.417 119.800 -0.246 0.000 2.084 91 Q HA -0.201 4.139 4.340 0.001 0.000 0.202 91 Q C 2.160 177.979 176.000 -0.302 0.000 0.978 91 Q CA 1.805 57.412 55.803 -0.327 0.000 0.844 91 Q CB -0.513 28.164 28.738 -0.103 0.000 0.898 91 Q HN 0.482 nan 8.270 nan 0.000 0.426 92 L N 0.574 121.668 121.223 -0.215 0.000 2.056 92 L HA -0.094 4.246 4.340 0.001 0.000 0.207 92 L C 2.127 178.750 176.870 -0.411 0.000 1.078 92 L CA 1.954 56.602 54.840 -0.320 0.000 0.749 92 L CB -0.887 40.869 42.059 -0.505 0.000 0.901 92 L HN 0.141 nan 8.230 nan 0.000 0.433 93 A N -0.193 122.396 122.820 -0.385 0.000 1.892 93 A HA -0.255 4.065 4.320 0.001 0.000 0.218 93 A C 2.247 179.555 177.584 -0.459 0.000 1.188 93 A CA 2.157 53.955 52.037 -0.398 0.000 0.631 93 A CB -0.597 18.238 19.000 -0.274 0.000 0.822 93 A HN 0.470 nan 8.150 nan 0.000 0.447 94 K N -0.424 119.640 120.400 -0.561 0.000 2.097 94 K HA -0.210 4.110 4.320 0.001 0.000 0.206 94 K C 2.245 178.631 176.600 -0.357 0.000 1.049 94 K CA 1.626 57.619 56.287 -0.490 0.000 0.933 94 K CB -0.456 31.685 32.500 -0.597 0.000 0.717 94 K HN 0.819 nan 8.250 nan 0.000 0.442 95 Q N 0.889 120.489 119.800 -0.334 0.000 2.016 95 Q HA -0.127 4.214 4.340 0.001 0.000 0.200 95 Q C 2.101 177.925 176.000 -0.293 0.000 0.978 95 Q CA 1.053 56.707 55.803 -0.249 0.000 0.833 95 Q CB 0.069 28.701 28.738 -0.177 0.000 0.895 95 Q HN 0.148 nan 8.270 nan 0.000 0.427 96 I N 1.215 121.532 120.570 -0.422 0.000 2.194 96 I HA -0.335 3.835 4.170 0.001 0.000 0.246 96 I C 2.615 178.343 176.117 -0.648 0.000 1.093 96 I CA 1.842 62.770 61.300 -0.620 0.000 1.355 96 I CB -1.361 36.082 38.000 -0.928 0.000 1.046 96 I HN 0.530 nan 8.210 nan 0.000 0.413 97 Q N 1.130 120.639 119.800 -0.485 0.000 2.030 97 Q HA -0.197 4.143 4.340 0.001 0.000 0.204 97 Q C 2.380 178.267 176.000 -0.188 0.000 0.986 97 Q CA 2.670 58.294 55.803 -0.299 0.000 0.843 97 Q CB 0.089 28.694 28.738 -0.222 0.000 0.904 97 Q HN 0.449 nan 8.270 nan 0.000 0.420 98 S N 0.839 116.419 115.700 -0.201 0.000 2.370 98 S HA -0.216 4.255 4.470 0.001 0.000 0.226 98 S C 1.861 176.337 174.600 -0.205 0.000 1.033 98 S CA 1.673 59.777 58.200 -0.160 0.000 1.011 98 S CB -0.263 62.847 63.200 -0.150 0.000 0.852 98 S HN 0.465 nan 8.310 nan 0.000 0.457 99 Q N -0.819 118.797 119.800 -0.306 0.000 2.187 99 Q HA -0.049 4.291 4.340 0.001 0.000 0.199 99 Q C 1.822 177.360 176.000 -0.769 0.000 0.957 99 Q CA 0.841 56.276 55.803 -0.613 0.000 0.857 99 Q CB -0.133 28.230 28.738 -0.626 0.000 0.929 99 Q HN 0.581 nan 8.270 nan 0.000 0.453 100 W N 1.731 122.723 121.300 -0.514 0.000 2.388 100 W HA -0.058 4.603 4.660 0.001 0.000 0.294 100 W C 1.887 178.302 176.519 -0.172 0.000 1.212 100 W CA 0.537 57.708 57.345 -0.290 0.000 1.271 100 W CB -0.368 29.014 29.460 -0.130 0.000 1.126 100 W HN 0.096 nan 8.180 nan 0.000 0.535 101 K N 0.180 120.611 120.400 0.051 0.000 1.991 101 K HA -0.178 4.143 4.320 0.001 0.000 0.212 101 K C 1.984 178.594 176.600 0.016 0.000 1.049 101 K CA 2.359 58.665 56.287 0.033 0.000 0.932 101 K CB -0.586 31.917 32.500 0.006 0.000 0.717 101 K HN -0.097 nan 8.250 nan 0.000 0.441 102 E N 0.345 120.508 120.200 -0.061 0.000 2.118 102 E HA -0.167 4.183 4.350 0.001 0.000 0.195 102 E C 1.868 178.550 176.600 0.137 0.000 0.992 102 E CA 1.241 57.638 56.400 -0.005 0.000 0.804 102 E CB -0.547 29.114 29.700 -0.065 0.000 0.741 102 E HN 0.309 nan 8.360 nan 0.000 0.458 103 F N -0.286 119.673 119.950 0.015 0.000 2.408 103 F HA 0.197 4.724 4.527 0.001 0.000 0.300 103 F C 2.253 178.050 175.800 -0.004 0.000 1.090 103 F CA 0.968 58.955 58.000 -0.021 0.000 1.427 103 F CB -0.715 38.228 39.000 -0.094 0.000 1.070 103 F HN 0.376 nan 8.300 nan 0.000 0.549 104 G N -0.539 108.372 108.800 0.185 0.000 2.205 104 G HA2 -0.195 3.766 3.960 0.001 0.000 0.180 104 G HA3 -0.195 3.766 3.960 0.001 0.000 0.180 104 G C 0.248 175.214 174.900 0.110 0.000 1.004 104 G CA -0.266 44.913 45.100 0.132 0.000 0.670 104 G HN 0.190 nan 8.290 nan 0.000 0.496 105 L N 1.088 122.370 121.223 0.098 0.000 2.467 105 L HA 0.231 4.572 4.340 0.001 0.000 0.270 105 L C 1.425 178.347 176.870 0.087 0.000 1.205 105 L CA -0.275 54.618 54.840 0.088 0.000 0.828 105 L CB 0.338 42.441 42.059 0.073 0.000 1.101 105 L HN 0.041 nan 8.230 nan 0.000 0.479 106 D N 0.303 120.750 120.400 0.079 0.000 2.144 106 D HA -0.066 4.575 4.640 0.001 0.000 0.200 106 D C 0.597 176.938 176.300 0.068 0.000 0.978 106 D CA 1.279 55.317 54.000 0.064 0.000 0.833 106 D CB 0.248 41.077 40.800 0.048 0.000 0.961 106 D HN 0.617 nan 8.370 nan 0.000 0.470 107 S N -0.845 114.904 115.700 0.081 0.000 2.570 107 S HA 0.586 5.057 4.470 0.001 0.000 0.270 107 S C -0.948 173.723 174.600 0.118 0.000 1.149 107 S CA -0.941 57.311 58.200 0.088 0.000 0.837 107 S CB 2.747 65.994 63.200 0.078 0.000 1.124 107 S HN -0.133 nan 8.310 nan 0.000 0.465 108 V N 1.600 121.584 119.914 0.117 0.000 2.567 108 V HA 0.632 4.752 4.120 0.001 0.000 0.298 108 V C -1.144 175.013 176.094 0.105 0.000 1.047 108 V CA -0.517 61.871 62.300 0.147 0.000 0.880 108 V CB 1.552 33.481 31.823 0.176 0.000 1.009 108 V HN 0.929 nan 8.190 nan 0.000 0.429 109 E N 3.652 123.922 120.200 0.116 0.000 2.277 109 E HA 0.635 4.985 4.350 0.001 0.000 0.266 109 E C -1.022 175.641 176.600 0.105 0.000 0.901 109 E CA -0.795 55.670 56.400 0.108 0.000 0.782 109 E CB 3.089 32.869 29.700 0.134 0.000 1.228 109 E HN 0.509 nan 8.360 nan 0.000 0.424 110 L N 1.125 122.424 121.223 0.126 0.000 2.292 110 L HA 0.542 4.883 4.340 0.001 0.000 0.284 110 L C 0.086 177.090 176.870 0.223 0.000 1.065 110 L CA -0.785 54.169 54.840 0.189 0.000 0.806 110 L CB 1.126 43.340 42.059 0.259 0.000 1.175 110 L HN 0.448 nan 8.230 nan 0.000 0.431 111 A N 3.616 126.565 122.820 0.215 0.000 2.287 111 A HA 0.574 4.895 4.320 0.001 0.000 0.317 111 A C -0.561 176.964 177.584 -0.098 0.000 1.220 111 A CA -0.610 51.474 52.037 0.077 0.000 0.835 111 A CB 0.400 19.603 19.000 0.338 0.000 1.180 111 A HN 0.845 nan 8.150 nan 0.000 0.500 112 H N 0.265 119.090 119.070 -0.408 0.000 2.651 112 H HA 0.823 5.380 4.556 0.001 0.000 0.353 112 H C -1.877 172.836 175.328 -1.025 0.000 1.178 112 H CA -0.792 54.904 56.048 -0.587 0.000 1.224 112 H CB 1.320 30.741 29.762 -0.568 0.000 1.702 112 H HN 0.527 nan 8.280 nan 0.000 0.550 113 Y N -0.801 119.477 120.300 -0.037 0.000 2.558 113 Y HA 0.186 4.736 4.550 0.001 0.000 0.333 113 Y C -1.020 174.844 175.900 -0.061 0.000 1.125 113 Y CA -1.058 57.010 58.100 -0.055 0.000 1.039 113 Y CB 2.022 40.453 38.460 -0.047 0.000 1.331 113 Y HN 0.587 nan 8.280 nan 0.000 0.456 114 D N 2.963 123.412 120.400 0.082 0.000 2.427 114 D HA 0.481 5.121 4.640 0.001 0.000 0.226 114 D C -0.698 175.610 176.300 0.014 0.000 1.076 114 D CA -0.107 53.902 54.000 0.015 0.000 0.849 114 D CB 1.797 42.592 40.800 -0.009 0.000 1.052 114 D HN 0.394 nan 8.370 nan 0.000 0.515 115 V N -0.358 119.557 119.914 0.001 0.000 3.001 115 V HA 0.532 4.653 4.120 0.001 0.000 0.314 115 V C -0.388 175.700 176.094 -0.010 0.000 1.099 115 V CA -1.205 61.089 62.300 -0.010 0.000 0.989 115 V CB 2.165 33.979 31.823 -0.015 0.000 1.040 115 V HN 0.247 nan 8.190 nan 0.000 0.434 116 L N 3.120 124.355 121.223 0.019 0.000 2.418 116 L HA 0.485 4.826 4.340 0.001 0.000 0.274 116 L C -0.323 176.639 176.870 0.154 0.000 1.135 116 L CA 0.770 55.664 54.840 0.089 0.000 0.870 116 L CB -0.397 41.742 42.059 0.133 0.000 1.154 116 L HN 0.708 nan 8.230 nan 0.000 0.462 117 L N 3.235 124.433 121.223 -0.041 0.000 2.267 117 L HA 0.722 5.063 4.340 0.001 0.000 0.264 117 L C -0.223 176.343 176.870 -0.507 0.000 1.021 117 L CA -0.853 53.744 54.840 -0.404 0.000 0.861 117 L CB 1.965 43.535 42.059 -0.815 0.000 1.443 117 L HN 0.610 nan 8.230 nan 0.000 0.475 118 S N -0.606 114.600 115.700 -0.824 0.000 2.572 118 S HA 0.690 5.161 4.470 0.001 0.000 0.274 118 S C -1.868 172.479 174.600 -0.422 0.000 1.150 118 S CA -0.396 57.490 58.200 -0.524 0.000 0.944 118 S CB 0.944 63.725 63.200 -0.699 0.000 1.071 118 S HN 0.376 nan 8.310 nan 0.000 0.479 119 Y N 2.036 122.352 120.300 0.026 0.000 2.534 119 Y HA 0.538 5.088 4.550 0.001 0.000 0.345 119 Y C -2.547 173.172 175.900 -0.303 0.000 1.031 119 Y CA -2.083 55.898 58.100 -0.199 0.000 1.022 119 Y CB 1.617 40.003 38.460 -0.123 0.000 1.292 119 Y HN 0.461 nan 8.280 nan 0.000 0.459 120 P HA -0.023 nan 4.420 nan 0.000 0.269 120 P C -0.360 176.908 177.300 -0.053 0.000 1.209 120 P CA -0.189 62.786 63.100 -0.207 0.000 0.776 120 P CB 0.577 32.108 31.700 -0.281 0.000 0.876 121 N N 2.109 120.819 118.700 0.016 0.000 2.416 121 N HA -0.048 4.693 4.740 0.001 0.000 0.265 121 N C 1.051 176.565 175.510 0.006 0.000 1.195 121 N CA 0.277 53.341 53.050 0.024 0.000 0.943 121 N CB 0.379 38.902 38.487 0.061 0.000 1.115 121 N HN -0.014 nan 8.380 nan 0.000 0.481 122 K N 1.600 121.987 120.400 -0.022 0.000 2.059 122 K HA -0.143 4.177 4.320 0.001 0.000 0.212 122 K C 1.799 178.391 176.600 -0.013 0.000 1.050 122 K CA 2.245 58.515 56.287 -0.028 0.000 0.927 122 K CB -1.046 31.425 32.500 -0.047 0.000 0.714 122 K HN 0.900 nan 8.250 nan 0.000 0.447 123 T N -3.164 111.381 114.554 -0.015 0.000 3.144 123 T HA 0.013 4.363 4.350 0.001 0.000 0.249 123 T C 0.250 174.940 174.700 -0.016 0.000 1.089 123 T CA 0.430 62.519 62.100 -0.017 0.000 0.989 123 T CB -0.295 68.558 68.868 -0.025 0.000 0.992 123 T HN 0.365 nan 8.240 nan 0.000 0.540 124 H N 1.485 120.555 119.070 0.001 0.000 2.596 124 H HA 0.489 5.046 4.556 0.001 0.000 0.240 124 H C -3.158 172.242 175.328 0.121 0.000 1.406 124 H CA -2.008 54.039 56.048 -0.001 0.000 1.504 124 H CB 0.972 30.655 29.762 -0.132 0.000 1.688 124 H HN 0.329 nan 8.280 nan 0.000 0.546 125 P HA 0.091 nan 4.420 nan 0.000 0.268 125 P C -0.266 177.200 177.300 0.278 0.000 1.205 125 P CA -0.077 63.129 63.100 0.176 0.000 0.771 125 P CB 0.740 32.517 31.700 0.130 0.000 0.858 126 N N 2.154 120.961 118.700 0.179 0.000 2.530 126 N HA 0.292 5.032 4.740 0.001 0.000 0.277 126 N C -0.056 175.470 175.510 0.028 0.000 1.168 126 N CA 0.238 53.292 53.050 0.007 0.000 0.979 126 N CB 0.344 38.727 38.487 -0.173 0.000 1.141 126 N HN 0.550 nan 8.380 nan 0.000 0.459 127 Y N -2.024 118.141 120.300 -0.225 0.000 2.741 127 Y HA 0.605 5.156 4.550 0.001 0.000 0.339 127 Y C -1.598 174.308 175.900 0.011 0.000 1.226 127 Y CA -1.252 56.756 58.100 -0.152 0.000 1.072 127 Y CB 0.721 39.118 38.460 -0.104 0.000 1.331 127 Y HN 0.278 nan 8.280 nan 0.000 0.453 128 I N 1.694 122.356 120.570 0.153 0.000 2.648 128 I HA 0.669 4.840 4.170 0.001 0.000 0.304 128 I C -0.464 175.809 176.117 0.260 0.000 1.009 128 I CA -0.816 60.575 61.300 0.152 0.000 1.114 128 I CB 2.170 40.270 38.000 0.167 0.000 1.293 128 I HN 0.653 nan 8.210 nan 0.000 0.449 129 S N 4.515 120.365 115.700 0.251 0.000 2.548 129 S HA 0.621 5.092 4.470 0.001 0.000 0.286 129 S C -0.537 174.223 174.600 0.267 0.000 1.098 129 S CA -0.583 57.787 58.200 0.282 0.000 0.930 129 S CB 1.698 65.119 63.200 0.369 0.000 1.070 129 S HN 0.304 nan 8.310 nan 0.000 0.480 130 I N 3.942 124.693 120.570 0.301 0.000 2.365 130 I HA 0.416 4.587 4.170 0.001 0.000 0.291 130 I C -0.183 176.058 176.117 0.206 0.000 1.004 130 I CA -0.498 60.957 61.300 0.258 0.000 1.311 130 I CB 0.657 38.784 38.000 0.212 0.000 1.401 130 I HN 0.552 nan 8.210 nan 0.000 0.491 131 I N 3.294 123.979 120.570 0.190 0.000 2.562 131 I HA 0.544 4.714 4.170 0.001 0.000 0.301 131 I C -0.454 175.753 176.117 0.150 0.000 1.003 131 I CA -0.880 60.513 61.300 0.154 0.000 1.127 131 I CB 1.749 39.826 38.000 0.129 0.000 1.304 131 I HN 0.519 nan 8.210 nan 0.000 0.446 132 N N 2.252 121.026 118.700 0.124 0.000 2.538 132 N HA 0.387 5.127 4.740 0.001 0.000 0.292 132 N C 0.972 176.539 175.510 0.094 0.000 1.262 132 N CA 0.002 53.121 53.050 0.116 0.000 0.976 132 N CB 0.022 38.569 38.487 0.099 0.000 1.161 132 N HN 0.728 nan 8.380 nan 0.000 0.598 133 E N -1.276 118.974 120.200 0.082 0.000 2.114 133 E HA -0.217 4.133 4.350 0.001 0.000 0.199 133 E C 1.550 178.183 176.600 0.055 0.000 1.008 133 E CA 2.394 58.832 56.400 0.064 0.000 0.810 133 E CB -2.099 nan 29.700 nan 0.000 0.739 133 E HN 0.859 nan 8.360 nan 0.000 0.456 134 D N -0.883 119.550 120.400 0.055 0.000 2.324 134 D HA 0.388 5.029 4.640 0.001 0.000 0.235 134 D C 1.575 177.907 176.300 0.054 0.000 1.095 134 D CA 0.931 54.960 54.000 0.048 0.000 0.871 134 D CB -0.932 nan 40.800 nan 0.000 0.906 134 D HN 1.302 nan 8.370 nan 0.000 0.522 135 G N -1.303 107.535 108.800 0.064 0.000 2.305 135 G HA2 0.069 4.029 3.960 0.001 0.000 0.287 135 G HA3 0.069 4.029 3.960 0.001 0.000 0.287 135 G C 0.310 175.258 174.900 0.081 0.000 1.036 135 G CA 0.808 45.952 45.100 0.073 0.000 0.887 135 G HN 1.338 nan 8.290 nan 0.000 0.505 136 N N 0.057 118.805 118.700 0.081 0.000 2.499 136 N HA 0.594 5.334 4.740 0.001 0.000 0.281 136 N C 0.105 175.676 175.510 0.101 0.000 1.098 136 N CA 0.044 53.142 53.050 0.081 0.000 0.979 136 N CB 0.535 nan 38.487 nan 0.000 1.121 136 N HN 0.558 nan 8.380 nan 0.000 0.466 137 E N 1.341 121.603 120.200 0.104 0.000 2.001 137 E HA 0.223 4.573 4.350 0.001 0.000 0.279 137 E C 0.369 177.029 176.600 0.099 0.000 1.045 137 E CA -0.151 56.324 56.400 0.125 0.000 0.833 137 E CB 0.518 30.309 29.700 0.150 0.000 1.077 137 E HN 0.682 nan 8.360 nan 0.000 0.397 138 I N 2.134 122.778 120.570 0.122 0.000 2.235 138 I HA -0.082 4.088 4.170 0.001 0.000 0.241 138 I C 0.718 176.932 176.117 0.163 0.000 1.085 138 I CA 0.827 62.198 61.300 0.119 0.000 1.378 138 I CB 0.214 38.285 38.000 0.119 0.000 1.076 138 I HN 0.359 nan 8.210 nan 0.000 0.415 139 F N 1.733 121.698 119.950 0.024 0.000 2.507 139 F HA 0.482 5.010 4.527 0.001 0.000 0.325 139 F C -0.680 175.160 175.800 0.066 0.000 1.116 139 F CA -0.925 57.084 58.000 0.014 0.000 0.930 139 F CB 0.799 39.787 39.000 -0.020 0.000 1.146 139 F HN -0.122 nan 8.300 nan 0.000 0.447 140 N N 2.869 121.119 118.700 -0.749 0.000 2.361 140 N HA 0.344 5.085 4.740 0.001 0.000 0.302 140 N C -0.616 174.285 175.510 -1.015 0.000 1.074 140 N CA -0.440 52.250 53.050 -0.599 0.000 0.850 140 N CB 1.935 40.172 38.487 -0.417 0.000 1.228 140 N HN 0.679 nan 8.380 nan 0.000 0.491 141 T N -1.632 112.643 114.554 -0.466 0.000 2.849 141 T HA 0.318 4.668 4.350 0.001 0.000 0.284 141 T C 0.699 175.316 174.700 -0.138 0.000 1.004 141 T CA -0.584 61.381 62.100 -0.225 0.000 1.021 141 T CB 0.481 69.410 68.868 0.102 0.000 1.013 141 T HN 0.217 nan 8.240 nan 0.000 0.527 142 S N 0.539 116.193 115.700 -0.076 0.000 2.558 142 S HA 0.080 4.550 4.470 0.001 0.000 0.287 142 S C 1.347 175.914 174.600 -0.054 0.000 1.321 142 S CA -0.558 57.565 58.200 -0.130 0.000 1.048 142 S CB -0.168 62.940 63.200 -0.153 0.000 0.844 142 S HN 0.598 nan 8.310 nan 0.000 0.512 143 L N 2.160 123.320 121.223 -0.105 0.000 2.446 143 L HA 0.251 4.591 4.340 0.001 0.000 0.219 143 L C -0.037 176.984 176.870 0.252 0.000 1.116 143 L CA 0.345 55.245 54.840 0.100 0.000 0.844 143 L CB -0.231 41.925 42.059 0.161 0.000 0.970 143 L HN 0.693 nan 8.230 nan 0.000 0.457 144 F N -2.858 117.129 119.950 0.061 0.000 2.773 144 F HA 0.500 5.027 4.527 0.000 0.000 0.314 144 F C -0.806 175.032 175.800 0.063 0.000 1.160 144 F CA -1.624 56.410 58.000 0.057 0.000 0.920 144 F CB 0.749 39.775 39.000 0.044 0.000 1.323 144 F HN -0.252 nan 8.300 nan 0.000 0.457 145 E N 1.594 121.917 120.200 0.206 0.000 2.301 145 E HA 0.381 4.731 4.350 0.001 0.000 0.275 145 E C -2.649 174.141 176.600 0.315 0.000 1.030 145 E CA -1.932 54.547 56.400 0.133 0.000 0.852 145 E CB 0.480 30.201 29.700 0.034 0.000 1.060 145 E HN 0.274 nan 8.360 nan 0.000 0.401 146 P HA -0.002 nan 4.420 nan 0.000 0.260 146 P C -2.392 175.159 177.300 0.419 0.000 1.185 146 P CA -0.690 62.646 63.100 0.395 0.000 0.763 146 P CB -0.212 31.689 31.700 0.335 0.000 0.776 147 P HA 0.216 nan 4.420 nan 0.000 0.274 147 P C -2.437 175.117 177.300 0.424 0.000 1.231 147 P CA -1.756 61.530 63.100 0.310 0.000 0.790 147 P CB -0.503 31.363 31.700 0.276 0.000 0.951 148 P HA 0.276 nan 4.420 nan 0.000 0.274 148 P C -2.566 175.030 177.300 0.492 0.000 1.246 148 P CA -1.946 61.506 63.100 0.587 0.000 0.795 148 P CB -1.197 30.915 31.700 0.686 0.000 1.006 149 P HA 0.058 nan 4.420 nan 0.000 0.261 149 P C 1.035 178.486 177.300 0.252 0.000 1.183 149 P CA 1.407 64.665 63.100 0.265 0.000 0.761 149 P CB -0.362 31.448 31.700 0.183 0.000 0.785 150 G N 2.135 111.014 108.800 0.131 0.000 2.213 150 G HA2 -0.302 3.658 3.960 0.001 0.000 0.236 150 G HA3 -0.302 3.658 3.960 0.001 0.000 0.236 150 G C 0.382 175.174 174.900 -0.181 0.000 0.991 150 G CA -0.263 44.806 45.100 -0.052 0.000 0.629 150 G HN 0.511 nan 8.290 nan 0.000 0.517 151 Y N 0.712 121.060 120.300 0.080 0.000 2.584 151 Y HA 0.487 5.038 4.550 0.001 0.000 0.254 151 Y C 2.289 178.259 175.900 0.118 0.000 1.177 151 Y CA 1.238 59.385 58.100 0.079 0.000 1.216 151 Y CB 0.117 38.617 38.460 0.065 0.000 1.172 151 Y HN 0.378 nan 8.280 nan 0.000 0.529 152 E N 0.928 121.251 120.200 0.205 0.000 2.273 152 E HA -0.318 4.032 4.350 0.001 0.000 0.198 152 E C 1.690 178.354 176.600 0.106 0.000 1.002 152 E CA 1.643 58.127 56.400 0.140 0.000 0.828 152 E CB -1.421 nan 29.700 nan 0.000 0.747 152 E HN 0.722 nan 8.360 nan 0.000 0.491 153 N N 0.104 118.862 118.700 0.097 0.000 2.084 153 N HA 0.167 4.907 4.740 0.001 0.000 0.190 153 N C 1.945 177.519 175.510 0.108 0.000 1.030 153 N CA 1.929 55.023 53.050 0.074 0.000 0.849 153 N CB -1.255 nan 38.487 nan 0.000 1.012 153 N HN 1.469 nan 8.380 nan 0.000 0.423 154 V N 1.735 121.770 119.914 0.201 0.000 3.122 154 V HA 0.057 4.178 4.120 0.001 0.000 0.281 154 V C 1.846 178.005 176.094 0.108 0.000 1.107 154 V CA 1.608 64.055 62.300 0.244 0.000 1.241 154 V CB -1.934 nan 31.823 nan 0.000 0.770 154 V HN 0.919 nan 8.190 nan 0.000 0.419 155 S N 2.845 118.587 115.700 0.071 0.000 2.377 155 S HA -0.122 4.348 4.470 0.001 0.000 0.224 155 S C 0.708 175.303 174.600 -0.008 0.000 1.042 155 S CA 2.014 60.226 58.200 0.019 0.000 1.086 155 S CB -0.003 63.202 63.200 0.008 0.000 0.995 155 S HN 0.969 nan 8.310 nan 0.000 0.428 156 D N -0.038 120.348 120.400 -0.023 0.000 2.738 156 D HA 0.439 5.079 4.640 0.001 0.000 0.218 156 D C -1.336 174.921 176.300 -0.072 0.000 1.345 156 D CA -0.195 53.778 54.000 -0.045 0.000 0.943 156 D CB 1.292 42.061 40.800 -0.052 0.000 1.514 156 D HN 0.373 nan 8.370 nan 0.000 0.585 157 I N 1.641 122.170 120.570 -0.068 0.000 2.371 157 I HA 0.151 4.321 4.170 0.001 0.000 0.290 157 I C 0.768 176.869 176.117 -0.028 0.000 1.028 157 I CA -0.767 60.478 61.300 -0.092 0.000 1.345 157 I CB 1.521 39.483 38.000 -0.065 0.000 1.407 157 I HN 0.031 nan 8.210 nan 0.000 0.501 158 V N 9.948 129.870 119.914 0.013 0.000 2.585 158 V HA 0.149 4.269 4.120 0.001 0.000 0.296 158 V C -1.667 174.483 176.094 0.092 0.000 1.035 158 V CA -1.213 61.126 62.300 0.065 0.000 1.084 158 V CB 0.935 32.868 31.823 0.182 0.000 0.953 158 V HN 0.598 nan 8.190 nan 0.000 0.483 159 P HA 0.266 nan 4.420 nan 0.000 0.272 159 P C -2.796 174.623 177.300 0.199 0.000 1.223 159 P CA -1.702 61.484 63.100 0.144 0.000 0.784 159 P CB -0.073 31.720 31.700 0.155 0.000 0.923 160 P HA 0.079 nan 4.420 nan 0.000 0.264 160 P C -0.676 176.755 177.300 0.217 0.000 1.183 160 P CA 0.819 63.964 63.100 0.075 0.000 0.763 160 P CB -0.191 31.493 31.700 -0.027 0.000 0.807 161 F N -1.162 118.673 119.950 -0.191 0.000 2.693 161 F HA 0.534 5.061 4.527 0.001 0.000 0.309 161 F C -1.101 174.565 175.800 -0.225 0.000 1.129 161 F CA -1.084 56.856 58.000 -0.101 0.000 0.948 161 F CB 0.880 39.899 39.000 0.031 0.000 1.315 161 F HN -0.049 nan 8.300 nan 0.000 0.447 162 S N 2.240 117.776 115.700 -0.274 0.000 2.416 162 S HA 0.616 5.086 4.470 0.001 0.000 0.287 162 S C 0.147 174.488 174.600 -0.432 0.000 1.139 162 S CA -0.346 57.611 58.200 -0.405 0.000 1.058 162 S CB 0.814 63.922 63.200 -0.154 0.000 0.967 162 S HN 0.911 nan 8.310 nan 0.000 0.495 163 A N 2.719 125.079 122.820 -0.766 0.000 2.520 163 A HA 0.520 4.841 4.320 0.001 0.000 0.245 163 A C 0.361 177.940 177.584 -0.008 0.000 1.072 163 A CA 0.027 51.799 52.037 -0.443 0.000 0.761 163 A CB -0.868 17.886 19.000 -0.410 0.000 1.004 163 A HN 0.970 nan 8.150 nan 0.000 0.499 164 F N 0.271 120.307 119.950 0.144 0.000 2.544 164 F HA -0.207 4.321 4.527 0.001 0.000 0.389 164 F C 1.175 177.016 175.800 0.068 0.000 0.588 164 F CA 0.902 58.967 58.000 0.107 0.000 1.461 164 F CB -2.022 37.029 39.000 0.084 0.000 1.995 164 F HN 0.658 nan 8.300 nan 0.000 0.282 165 S N 3.243 119.043 115.700 0.167 0.000 2.558 165 S HA 0.234 4.705 4.470 0.001 0.000 0.293 165 S C -1.282 173.381 174.600 0.105 0.000 1.292 165 S CA -0.779 57.488 58.200 0.112 0.000 1.063 165 S CB 0.592 63.847 63.200 0.091 0.000 0.831 165 S HN 0.156 nan 8.310 nan 0.000 0.499 166 P HA 0.133 nan 4.420 nan 0.000 0.274 166 P C -0.771 176.545 177.300 0.027 0.000 1.246 166 P CA -0.422 62.712 63.100 0.057 0.000 0.795 166 P CB 0.406 32.130 31.700 0.040 0.000 1.006 167 Q N -0.283 119.532 119.800 0.024 0.000 2.373 167 Q HA 0.540 4.880 4.340 0.001 0.000 0.255 167 Q C 0.555 176.534 176.000 -0.035 0.000 0.980 167 Q CA 0.284 56.082 55.803 -0.009 0.000 0.882 167 Q CB 0.464 29.226 28.738 0.040 0.000 1.249 167 Q HN 0.757 nan 8.270 nan 0.000 0.438 168 G N 0.657 109.398 108.800 -0.098 0.000 2.328 168 G HA2 0.389 4.349 3.960 0.001 0.000 0.295 168 G HA3 0.389 4.349 3.960 0.001 0.000 0.295 168 G C -1.149 173.651 174.900 -0.167 0.000 1.413 168 G CA -0.867 44.178 45.100 -0.092 0.000 0.817 168 G HN 0.496 nan 8.290 nan 0.000 0.546 169 M N 1.864 121.378 119.600 -0.142 0.000 3.718 169 M HA 0.232 4.713 4.480 0.001 0.000 0.421 169 M C -2.610 173.580 176.300 -0.184 0.000 1.795 169 M CA -1.037 54.127 55.300 -0.226 0.000 0.603 169 M CB 1.747 34.243 32.600 -0.172 0.000 1.428 169 M HN 0.350 nan 8.290 nan 0.000 0.514 170 P HA 0.168 nan 4.420 nan 0.000 0.272 170 P C -1.000 176.234 177.300 -0.111 0.000 1.223 170 P CA 0.321 63.362 63.100 -0.099 0.000 0.784 170 P CB 0.861 32.519 31.700 -0.071 0.000 0.923 171 E N 0.126 120.284 120.200 -0.071 0.000 2.288 171 E HA 0.749 5.099 4.350 0.001 0.000 0.268 171 E C -0.034 176.545 176.600 -0.035 0.000 0.885 171 E CA -0.925 55.444 56.400 -0.052 0.000 0.767 171 E CB 2.145 31.826 29.700 -0.032 0.000 1.220 171 E HN 0.702 nan 8.360 nan 0.000 0.427 172 G N 1.362 110.143 108.800 -0.033 0.000 2.341 172 G HA2 0.125 4.086 3.960 0.001 0.000 0.299 172 G HA3 0.125 4.086 3.960 0.001 0.000 0.299 172 G C -1.659 173.198 174.900 -0.073 0.000 1.274 172 G CA -0.817 44.260 45.100 -0.039 0.000 0.853 172 G HN 0.411 nan 8.290 nan 0.000 0.493 173 D N 0.120 120.466 120.400 -0.090 0.000 2.225 173 D HA 0.493 5.133 4.640 0.001 0.000 0.249 173 D C -0.288 175.931 176.300 -0.135 0.000 1.052 173 D CA -0.264 53.636 54.000 -0.167 0.000 0.909 173 D CB 2.372 43.086 40.800 -0.143 0.000 1.186 173 D HN 0.117 nan 8.370 nan 0.000 0.431 174 L N 1.849 122.944 121.223 -0.212 0.000 2.350 174 L HA 0.293 4.633 4.340 0.001 0.000 0.275 174 L C -0.394 176.457 176.870 -0.033 0.000 1.099 174 L CA -0.396 54.384 54.840 -0.100 0.000 0.808 174 L CB 1.451 43.435 42.059 -0.125 0.000 1.149 174 L HN 0.098 nan 8.230 nan 0.000 0.442 175 V N 4.475 124.418 119.914 0.048 0.000 2.656 175 V HA 0.296 4.417 4.120 0.001 0.000 0.307 175 V C -1.198 174.998 176.094 0.170 0.000 1.051 175 V CA -0.864 61.496 62.300 0.101 0.000 0.893 175 V CB 1.783 33.657 31.823 0.086 0.000 0.999 175 V HN 0.585 nan 8.190 nan 0.000 0.426 176 Y N 5.255 125.612 120.300 0.095 0.000 2.335 176 Y HA 0.565 5.115 4.550 0.001 0.000 0.339 176 Y C 0.459 176.447 175.900 0.147 0.000 0.987 176 Y CA -0.731 57.441 58.100 0.121 0.000 1.140 176 Y CB 1.849 40.413 38.460 0.173 0.000 1.173 176 Y HN 0.402 nan 8.280 nan 0.000 0.486 177 V N 3.078 122.638 119.914 -0.589 0.000 3.070 177 V HA 0.338 4.458 4.120 0.001 0.000 0.345 177 V C 0.572 175.947 176.094 -1.199 0.000 1.403 177 V CA 0.251 62.126 62.300 -0.709 0.000 1.155 177 V CB -1.154 30.284 31.823 -0.641 0.000 1.140 177 V HN 0.984 nan 8.190 nan 0.000 0.505 178 N N 1.535 119.175 118.700 -1.767 0.000 1.293 178 N HA -0.338 4.403 4.740 0.001 0.000 0.140 178 N C 0.335 175.283 175.510 -0.936 0.000 0.753 178 N CA 2.654 54.776 53.050 -1.547 0.000 0.979 178 N CB -1.420 35.774 38.487 -2.155 0.000 1.228 178 N HN 0.449 nan 8.380 nan 0.000 0.509 179 Y N 1.266 121.221 120.300 -0.576 0.000 2.490 179 Y HA 0.512 5.062 4.550 0.001 0.000 0.281 179 Y C 1.629 177.382 175.900 -0.246 0.000 1.174 179 Y CA 1.040 58.954 58.100 -0.311 0.000 1.295 179 Y CB -0.444 37.887 38.460 -0.215 0.000 1.062 179 Y HN 0.629 nan 8.280 nan 0.000 0.522 180 A N 0.477 123.152 122.820 -0.242 0.000 2.799 180 A HA -0.315 4.005 4.320 0.001 0.000 0.287 180 A C 0.762 178.428 177.584 0.137 0.000 1.484 180 A CA 0.666 52.651 52.037 -0.086 0.000 0.813 180 A CB -2.088 16.974 19.000 0.103 0.000 1.009 180 A HN 0.525 nan 8.150 nan 0.000 0.545 181 R N -0.856 119.669 120.500 0.041 0.000 2.738 181 R HA 0.327 4.667 4.340 0.001 0.000 0.268 181 R C 1.727 178.097 176.300 0.115 0.000 1.062 181 R CA 0.301 56.440 56.100 0.065 0.000 1.158 181 R CB 0.132 30.440 30.300 0.013 0.000 1.046 181 R HN 0.403 nan 8.270 nan 0.000 0.493 182 T N 1.727 116.294 114.554 0.022 0.000 2.653 182 T HA -0.219 4.131 4.350 0.001 0.000 0.268 182 T C 1.635 176.120 174.700 -0.357 0.000 1.035 182 T CA 2.011 64.010 62.100 -0.168 0.000 1.154 182 T CB -0.173 68.532 68.868 -0.272 0.000 0.862 182 T HN 0.718 nan 8.240 nan 0.000 0.441 183 E N 1.525 121.626 120.200 -0.166 0.000 2.150 183 E HA -0.190 4.160 4.350 0.001 0.000 0.193 183 E C 1.509 178.209 176.600 0.167 0.000 0.985 183 E CA 1.306 57.723 56.400 0.029 0.000 0.814 183 E CB -0.478 29.311 29.700 0.148 0.000 0.752 183 E HN 0.419 nan 8.360 nan 0.000 0.466 184 D N 0.722 121.175 120.400 0.089 0.000 2.104 184 D HA -0.141 4.499 4.640 0.001 0.000 0.194 184 D C 1.864 178.229 176.300 0.108 0.000 0.994 184 D CA 1.092 55.134 54.000 0.071 0.000 0.830 184 D CB -0.554 40.047 40.800 -0.333 0.000 0.959 184 D HN 0.253 nan 8.370 nan 0.000 0.452 185 F N -0.063 119.948 119.950 0.101 0.000 2.234 185 F HA -0.104 4.423 4.527 0.001 0.000 0.299 185 F C 2.206 178.171 175.800 0.275 0.000 1.087 185 F CA 0.338 58.423 58.000 0.143 0.000 1.340 185 F CB -0.187 38.845 39.000 0.054 0.000 1.031 185 F HN -0.130 nan 8.300 nan 0.000 0.500 186 F N 0.863 120.989 119.950 0.294 0.000 2.069 186 F HA -0.208 4.319 4.527 0.001 0.000 0.298 186 F C 2.449 178.337 175.800 0.147 0.000 1.113 186 F CA 1.345 59.461 58.000 0.193 0.000 1.214 186 F CB -1.306 37.788 39.000 0.157 0.000 0.978 186 F HN -0.121 nan 8.300 nan 0.000 0.474 187 K N 0.423 121.042 120.400 0.365 0.000 2.044 187 K HA -0.207 4.113 4.320 0.001 0.000 0.210 187 K C 2.044 178.709 176.600 0.109 0.000 1.049 187 K CA 1.231 57.641 56.287 0.203 0.000 0.927 187 K CB -0.856 31.791 32.500 0.246 0.000 0.713 187 K HN 0.112 nan 8.250 nan 0.000 0.443 188 L N 0.835 122.155 121.223 0.160 0.000 1.976 188 L HA -0.154 4.187 4.340 0.001 0.000 0.209 188 L C 2.664 179.601 176.870 0.111 0.000 1.071 188 L CA 2.721 57.618 54.840 0.095 0.000 0.746 188 L CB -1.139 41.004 42.059 0.140 0.000 0.890 188 L HN 0.499 nan 8.230 nan 0.000 0.432 189 E N -0.750 119.564 120.200 0.190 0.000 2.076 189 E HA -0.154 4.196 4.350 0.001 0.000 0.190 189 E C 2.304 178.969 176.600 0.108 0.000 0.979 189 E CA 1.320 57.817 56.400 0.162 0.000 0.807 189 E CB -0.491 29.340 29.700 0.218 0.000 0.761 189 E HN 0.557 nan 8.360 nan 0.000 0.454 190 R N -0.015 120.553 120.500 0.114 0.000 2.057 190 R HA 0.009 4.349 4.340 0.001 0.000 0.224 190 R C 2.028 178.342 176.300 0.024 0.000 1.136 190 R CA 1.491 57.619 56.100 0.047 0.000 0.968 190 R CB 0.067 30.369 30.300 0.004 0.000 0.863 190 R HN 0.369 nan 8.270 nan 0.000 0.433 191 D N 0.107 120.523 120.400 0.027 0.000 2.197 191 D HA -0.032 4.609 4.640 0.001 0.000 0.212 191 D C 1.759 178.048 176.300 -0.018 0.000 0.963 191 D CA 1.221 55.220 54.000 -0.002 0.000 0.864 191 D CB 0.041 40.835 40.800 -0.010 0.000 1.009 191 D HN 0.138 nan 8.370 nan 0.000 0.479 192 M N 0.174 119.758 119.600 -0.028 0.000 2.556 192 M HA 0.078 4.559 4.480 0.001 0.000 0.245 192 M C 1.109 177.402 176.300 -0.011 0.000 1.128 192 M CA 0.513 55.787 55.300 -0.045 0.000 1.069 192 M CB -0.073 32.471 32.600 -0.093 0.000 1.469 192 M HN 0.008 nan 8.290 nan 0.000 0.494 193 K N 0.023 120.431 120.400 0.012 0.000 3.003 193 K HA -0.151 4.169 4.320 0.001 0.000 0.257 193 K C -0.211 176.407 176.600 0.031 0.000 0.958 193 K CA 1.269 57.571 56.287 0.026 0.000 0.707 193 K CB -3.362 29.148 32.500 0.016 0.000 1.279 193 K HN 0.583 nan 8.250 nan 0.000 0.479 194 I N -0.086 120.507 120.570 0.038 0.000 2.662 194 I HA 0.721 4.891 4.170 0.001 0.000 0.291 194 I C 0.488 176.650 176.117 0.075 0.000 1.046 194 I CA -0.502 60.827 61.300 0.048 0.000 1.361 194 I CB 1.391 39.418 38.000 0.046 0.000 1.429 194 I HN 0.641 nan 8.210 nan 0.000 0.558 195 N N 3.119 121.861 118.700 0.070 0.000 2.442 195 N HA 0.341 5.082 4.740 0.001 0.000 0.274 195 N C 0.029 175.591 175.510 0.086 0.000 1.002 195 N CA -0.414 52.684 53.050 0.080 0.000 0.910 195 N CB 1.796 40.316 38.487 0.056 0.000 1.244 195 N HN 0.753 nan 8.380 nan 0.000 0.492 196 C N 0.985 120.356 119.300 0.118 0.000 2.626 196 C HA 0.173 4.634 4.460 0.001 0.000 0.266 196 C C 1.483 176.519 174.990 0.077 0.000 1.317 196 C CA -0.317 58.772 59.018 0.119 0.000 1.716 196 C CB -1.521 26.340 27.740 0.203 0.000 1.819 196 C HN 0.722 nan 8.230 nan 0.000 0.578 197 S N 0.534 116.270 115.700 0.059 0.000 2.546 197 S HA 0.364 4.835 4.470 0.001 0.000 0.290 197 S C 1.460 176.077 174.600 0.027 0.000 1.290 197 S CA 1.237 59.459 58.200 0.037 0.000 1.069 197 S CB 0.055 63.273 63.200 0.030 0.000 0.846 197 S HN 1.165 nan 8.310 nan 0.000 0.495 198 G N 3.632 112.443 108.800 0.018 0.000 2.228 198 G HA2 -0.280 3.681 3.960 0.001 0.000 0.270 198 G HA3 -0.280 3.681 3.960 0.001 0.000 0.270 198 G C 0.120 175.026 174.900 0.008 0.000 0.976 198 G CA 0.983 46.089 45.100 0.010 0.000 0.636 198 G HN 0.751 nan 8.290 nan 0.000 0.542 199 K N -0.079 120.333 120.400 0.020 0.000 2.107 199 K HA 0.693 5.013 4.320 0.001 0.000 0.251 199 K C 0.762 177.374 176.600 0.020 0.000 1.012 199 K CA -0.416 55.881 56.287 0.017 0.000 0.920 199 K CB 0.729 33.249 32.500 0.033 0.000 1.033 199 K HN 0.235 nan 8.250 nan 0.000 0.478 200 I N 1.766 122.342 120.570 0.009 0.000 2.331 200 I HA 0.162 4.332 4.170 0.001 0.000 0.292 200 I C -0.537 175.606 176.117 0.043 0.000 0.998 200 I CA -0.923 60.388 61.300 0.018 0.000 1.267 200 I CB 1.439 39.440 38.000 0.002 0.000 1.386 200 I HN 0.118 nan 8.210 nan 0.000 0.476 201 V N 7.768 127.721 119.914 0.065 0.000 2.481 201 V HA 0.368 4.488 4.120 0.001 0.000 0.286 201 V C -0.090 176.059 176.094 0.091 0.000 1.042 201 V CA -0.472 61.882 62.300 0.090 0.000 0.928 201 V CB 1.994 33.895 31.823 0.129 0.000 0.986 201 V HN 0.501 nan 8.190 nan 0.000 0.462 202 I N 4.780 125.426 120.570 0.127 0.000 2.406 202 I HA 0.824 4.994 4.170 0.001 0.000 0.290 202 I C -0.132 176.107 176.117 0.202 0.000 0.999 202 I CA -0.158 61.251 61.300 0.182 0.000 1.124 202 I CB 1.341 39.476 38.000 0.224 0.000 1.289 202 I HN 0.696 nan 8.210 nan 0.000 0.441 203 A N 7.154 130.055 122.820 0.135 0.000 2.435 203 A HA 0.783 5.103 4.320 0.001 0.000 0.304 203 A C -0.936 176.601 177.584 -0.078 0.000 1.064 203 A CA -0.914 51.121 52.037 -0.004 0.000 0.727 203 A CB 1.363 20.298 19.000 -0.109 0.000 1.284 203 A HN 0.819 nan 8.150 nan 0.000 0.415 204 R N 0.736 121.097 120.500 -0.233 0.000 2.500 204 R HA 0.564 4.904 4.340 0.001 0.000 0.275 204 R C -1.021 175.196 176.300 -0.139 0.000 1.051 204 R CA -0.475 55.320 56.100 -0.509 0.000 1.088 204 R CB 0.565 30.493 30.300 -0.619 0.000 1.063 204 R HN 0.643 nan 8.270 nan 0.000 0.511 205 Y N 0.411 120.674 120.300 -0.062 0.000 2.357 205 Y HA 0.355 4.906 4.550 0.001 0.000 0.340 205 Y C 1.268 177.379 175.900 0.353 0.000 1.260 205 Y CA 1.305 59.484 58.100 0.132 0.000 1.425 205 Y CB 1.319 39.822 38.460 0.072 0.000 1.326 205 Y HN 0.996 nan 8.280 nan 0.000 0.580 206 G N 1.646 110.756 108.800 0.516 0.000 2.484 206 G HA2 0.083 4.043 3.960 0.001 0.000 0.685 206 G HA3 0.083 4.043 3.960 0.001 0.000 0.685 206 G C -0.352 174.563 174.900 0.026 0.000 1.294 206 G CA -0.440 44.820 45.100 0.266 0.000 0.879 206 G HN 0.533 nan 8.290 nan 0.000 0.646 207 K N -3.337 117.018 120.400 -0.074 0.000 6.211 207 K HA -0.239 4.081 4.320 0.001 0.000 0.464 207 K C 1.025 177.702 176.600 0.128 0.000 0.365 207 K CA 3.075 59.302 56.287 -0.100 0.000 1.948 207 K CB -2.392 29.851 32.500 -0.429 0.000 0.668 207 K HN 2.389 nan 8.250 nan 0.000 0.711 208 V N -2.449 117.527 119.914 0.104 0.000 3.159 208 V HA 0.728 4.849 4.120 0.001 0.000 0.308 208 V C 0.017 176.146 176.094 0.058 0.000 1.190 208 V CA -1.058 61.278 62.300 0.061 0.000 1.037 208 V CB 1.976 33.797 31.823 -0.002 0.000 1.060 208 V HN 0.177 nan 8.190 nan 0.000 0.437 209 F N 3.728 123.466 119.950 -0.354 0.000 2.608 209 F HA 0.346 4.873 4.527 0.001 0.000 0.380 209 F C 1.862 177.551 175.800 -0.186 0.000 1.083 209 F CA 0.228 57.882 58.000 -0.576 0.000 1.266 209 F CB 0.996 39.498 39.000 -0.830 0.000 1.076 209 F HN 0.862 nan 8.300 nan 0.000 0.574 210 R N 3.427 123.489 120.500 -0.731 0.000 2.120 210 R HA -0.068 4.273 4.340 0.001 0.000 0.234 210 R C 1.849 177.744 176.300 -0.677 0.000 1.123 210 R CA 1.385 57.184 56.100 -0.502 0.000 0.975 210 R CB -1.302 28.889 30.300 -0.181 0.000 0.866 210 R HN 0.775 nan 8.270 nan 0.000 0.446 211 G N 0.979 108.968 108.800 -1.353 0.000 2.432 211 G HA2 -0.274 3.687 3.960 0.001 0.000 0.219 211 G HA3 -0.274 3.687 3.960 0.001 0.000 0.219 211 G C 0.898 175.660 174.900 -0.231 0.000 1.135 211 G CA 0.910 45.646 45.100 -0.608 0.000 0.767 211 G HN 0.448 nan 8.290 nan 0.000 0.550 212 N N 0.401 118.999 118.700 -0.170 0.000 2.142 212 N HA -0.036 4.705 4.740 0.001 0.000 0.186 212 N C 2.131 177.602 175.510 -0.066 0.000 1.023 212 N CA 1.160 54.177 53.050 -0.056 0.000 0.852 212 N CB -0.088 38.393 38.487 -0.010 0.000 0.998 212 N HN 0.311 nan 8.380 nan 0.000 0.424 213 K N 0.334 120.684 120.400 -0.084 0.000 2.032 213 K HA -0.088 4.232 4.320 0.001 0.000 0.209 213 K C 1.859 178.442 176.600 -0.029 0.000 1.048 213 K CA 1.149 57.425 56.287 -0.019 0.000 0.927 213 K CB -0.356 32.115 32.500 -0.048 0.000 0.712 213 K HN 0.017 nan 8.250 nan 0.000 0.441 214 V N 2.104 121.965 119.914 -0.089 0.000 2.427 214 V HA -0.233 3.887 4.120 0.001 0.000 0.248 214 V C 2.432 178.478 176.094 -0.080 0.000 1.051 214 V CA 1.606 63.860 62.300 -0.076 0.000 1.048 214 V CB -0.439 31.329 31.823 -0.093 0.000 0.666 214 V HN 0.345 nan 8.190 nan 0.000 0.456 215 K N 0.410 120.757 120.400 -0.088 0.000 2.026 215 K HA -0.224 4.097 4.320 0.001 0.000 0.208 215 K C 2.008 178.517 176.600 -0.151 0.000 1.048 215 K CA 1.851 58.081 56.287 -0.095 0.000 0.929 215 K CB -0.207 32.248 32.500 -0.075 0.000 0.713 215 K HN 0.436 nan 8.250 nan 0.000 0.439 216 N N 0.988 119.578 118.700 -0.182 0.000 2.149 216 N HA -0.163 4.577 4.740 0.001 0.000 0.188 216 N C 1.678 176.775 175.510 -0.689 0.000 1.019 216 N CA 1.437 54.245 53.050 -0.403 0.000 0.857 216 N CB -0.452 37.848 38.487 -0.311 0.000 0.997 216 N HN 0.320 nan 8.380 nan 0.000 0.426 217 A N 1.276 123.880 122.820 -0.359 0.000 1.873 217 A HA -0.153 4.168 4.320 0.001 0.000 0.215 217 A C 2.164 179.647 177.584 -0.168 0.000 1.186 217 A CA 1.183 53.101 52.037 -0.200 0.000 0.616 217 A CB -0.564 18.461 19.000 0.042 0.000 0.823 217 A HN 0.316 nan 8.150 nan 0.000 0.442 218 Q N -0.365 119.357 119.800 -0.131 0.000 2.096 218 Q HA -0.130 4.211 4.340 0.001 0.000 0.204 218 Q C 2.098 178.030 176.000 -0.114 0.000 0.982 218 Q CA 1.462 57.209 55.803 -0.093 0.000 0.850 218 Q CB -0.379 28.315 28.738 -0.072 0.000 0.901 218 Q HN 0.658 nan 8.270 nan 0.000 0.422 219 L N 0.090 121.213 121.223 -0.167 0.000 2.083 219 L HA -0.144 4.196 4.340 0.001 0.000 0.209 219 L C 2.098 178.882 176.870 -0.143 0.000 1.083 219 L CA 0.810 55.563 54.840 -0.144 0.000 0.752 219 L CB -0.428 41.536 42.059 -0.158 0.000 0.899 219 L HN 0.181 nan 8.230 nan 0.000 0.433 220 A N -0.508 122.170 122.820 -0.236 0.000 2.261 220 A HA 0.264 4.584 4.320 0.001 0.000 0.208 220 A C 1.741 179.308 177.584 -0.028 0.000 1.223 220 A CA 0.715 52.668 52.037 -0.140 0.000 0.833 220 A CB -0.671 18.189 19.000 -0.233 0.000 0.830 220 A HN 0.561 nan 8.150 nan 0.000 0.483 221 G N -1.585 107.194 108.800 -0.035 0.000 2.184 221 G HA2 -0.009 3.952 3.960 0.001 0.000 0.264 221 G HA3 -0.009 3.952 3.960 0.001 0.000 0.264 221 G C 0.654 175.559 174.900 0.008 0.000 0.975 221 G CA 0.470 45.566 45.100 -0.006 0.000 0.642 221 G HN 1.769 nan 8.290 nan 0.000 0.536 222 A N -0.098 122.731 122.820 0.016 0.000 2.586 222 A HA 0.453 4.773 4.320 0.001 0.000 0.231 222 A C 1.507 179.097 177.584 0.010 0.000 1.055 222 A CA 1.856 53.911 52.037 0.030 0.000 0.756 222 A CB 0.231 19.265 19.000 0.056 0.000 0.988 222 A HN 1.786 nan 8.150 nan 0.000 0.509 223 K N 1.019 121.425 120.400 0.009 0.000 2.355 223 K HA 0.484 4.804 4.320 0.001 0.000 0.198 223 K C 0.582 177.176 176.600 -0.009 0.000 1.039 223 K CA 0.653 56.937 56.287 -0.004 0.000 1.075 223 K CB -0.252 32.243 32.500 -0.008 0.000 0.870 223 K HN 2.208 nan 8.250 nan 0.000 0.540 224 G N -0.517 108.284 108.800 0.001 0.000 2.646 224 G HA2 0.526 4.487 3.960 0.001 0.000 0.291 224 G HA3 0.526 4.487 3.960 0.001 0.000 0.291 224 G C -1.826 173.083 174.900 0.015 0.000 1.445 224 G CA -0.389 44.710 45.100 -0.003 0.000 0.814 224 G HN 0.270 nan 8.290 nan 0.000 0.495 225 V N 0.585 120.507 119.914 0.013 0.000 2.760 225 V HA 0.571 4.692 4.120 0.001 0.000 0.309 225 V C -0.540 175.567 176.094 0.022 0.000 1.077 225 V CA -0.578 61.732 62.300 0.018 0.000 0.910 225 V CB 1.797 33.617 31.823 -0.005 0.000 1.008 225 V HN 0.680 nan 8.190 nan 0.000 0.424 226 I N 5.075 125.667 120.570 0.037 0.000 2.406 226 I HA 0.514 4.685 4.170 0.001 0.000 0.290 226 I C -0.773 175.351 176.117 0.011 0.000 0.999 226 I CA -0.392 60.941 61.300 0.055 0.000 1.124 226 I CB 1.733 39.797 38.000 0.107 0.000 1.289 226 I HN 0.350 nan 8.210 nan 0.000 0.441 227 L N 7.144 128.312 121.223 -0.092 0.000 2.334 227 L HA 0.587 4.927 4.340 0.001 0.000 0.276 227 L C -1.008 175.775 176.870 -0.146 0.000 1.014 227 L CA -0.844 53.812 54.840 -0.308 0.000 0.815 227 L CB 1.596 43.191 42.059 -0.774 0.000 1.268 227 L HN 0.529 nan 8.230 nan 0.000 0.428 228 Y N -0.412 119.763 120.300 -0.208 0.000 2.597 228 Y HA 0.638 5.189 4.550 0.001 0.000 0.340 228 Y C -0.987 175.040 175.900 0.212 0.000 1.097 228 Y CA -1.181 56.941 58.100 0.037 0.000 1.037 228 Y CB 1.426 39.944 38.460 0.097 0.000 1.305 228 Y HN 0.399 nan 8.280 nan 0.000 0.463 229 S N 2.897 118.758 115.700 0.269 0.000 2.430 229 S HA 0.129 4.600 4.470 0.001 0.000 0.289 229 S C -0.851 174.014 174.600 0.443 0.000 1.143 229 S CA -0.722 57.614 58.200 0.225 0.000 1.067 229 S CB 0.483 63.698 63.200 0.026 0.000 0.964 229 S HN 0.687 nan 8.310 nan 0.000 0.485 230 D N 2.901 123.458 120.400 0.261 0.000 2.304 230 D HA 0.187 4.827 4.640 0.001 0.000 0.250 230 D C -1.733 174.725 176.300 0.264 0.000 1.107 230 D CA -2.102 52.116 54.000 0.364 0.000 0.885 230 D CB 1.561 42.502 40.800 0.235 0.000 1.192 230 D HN 0.118 nan 8.370 nan 0.000 0.436 231 P HA -0.094 nan 4.420 nan 0.000 0.219 231 P C 0.941 178.274 177.300 0.055 0.000 1.146 231 P CA 0.919 63.960 63.100 -0.097 0.000 0.808 231 P CB 0.174 31.548 31.700 -0.544 0.000 0.779 232 A N 0.148 122.993 122.820 0.042 0.000 1.948 232 A HA -0.232 4.088 4.320 0.001 0.000 0.220 232 A C 1.897 179.490 177.584 0.015 0.000 1.177 232 A CA 2.148 54.205 52.037 0.033 0.000 0.636 232 A CB -1.096 17.915 19.000 0.017 0.000 0.815 232 A HN 0.165 nan 8.150 nan 0.000 0.449 233 D N -3.000 117.399 120.400 -0.002 0.000 2.388 233 D HA 0.085 4.726 4.640 0.001 0.000 0.208 233 D C 0.289 176.273 176.300 -0.526 0.000 1.035 233 D CA 0.701 54.549 54.000 -0.254 0.000 0.875 233 D CB 0.091 40.721 40.800 -0.283 0.000 0.984 233 D HN 0.635 nan 8.370 nan 0.000 0.508 234 Y N -0.815 119.569 120.300 0.140 0.000 2.641 234 Y HA 0.255 4.805 4.550 0.001 0.000 0.248 234 Y C -0.328 175.689 175.900 0.194 0.000 1.170 234 Y CA -0.554 57.646 58.100 0.167 0.000 1.201 234 Y CB 0.661 39.238 38.460 0.195 0.000 1.232 234 Y HN -0.219 nan 8.280 nan 0.000 0.537 235 F N 1.493 121.485 119.950 0.071 0.000 2.500 235 F HA 0.748 5.275 4.527 0.001 0.000 0.349 235 F C -0.189 175.573 175.800 -0.062 0.000 1.127 235 F CA -1.402 56.594 58.000 -0.006 0.000 0.998 235 F CB 0.554 39.507 39.000 -0.079 0.000 1.237 235 F HN -0.075 nan 8.300 nan 0.000 0.439 236 A N 7.256 129.849 122.820 -0.378 0.000 2.354 236 A HA 0.535 4.855 4.320 0.001 0.000 0.281 236 A C -2.535 174.859 177.584 -0.317 0.000 1.174 236 A CA -1.574 50.301 52.037 -0.271 0.000 0.828 236 A CB -0.368 18.456 19.000 -0.293 0.000 1.099 236 A HN 0.518 nan 8.150 nan 0.000 0.516 237 P HA 0.138 nan 4.420 nan 0.000 0.260 237 P C 1.116 178.371 177.300 -0.075 0.000 1.172 237 P CA 2.189 65.296 63.100 0.012 0.000 0.760 237 P CB 0.477 32.189 31.700 0.020 0.000 0.773 238 G N 1.234 110.011 108.800 -0.039 0.000 2.176 238 G HA2 -0.194 3.766 3.960 0.001 0.000 0.253 238 G HA3 -0.194 3.766 3.960 0.001 0.000 0.253 238 G C 0.033 174.829 174.900 -0.173 0.000 0.979 238 G CA -0.116 44.943 45.100 -0.069 0.000 0.641 238 G HN 0.532 nan 8.290 nan 0.000 0.530 239 V N 0.489 120.186 119.914 -0.362 0.000 2.630 239 V HA 0.840 4.960 4.120 0.001 0.000 0.305 239 V C 0.728 176.497 176.094 -0.542 0.000 1.046 239 V CA -0.187 61.757 62.300 -0.593 0.000 0.934 239 V CB 1.526 32.653 31.823 -1.161 0.000 1.003 239 V HN 0.780 nan 8.190 nan 0.000 0.451 240 K N 1.722 121.861 120.400 -0.435 0.000 2.185 240 K HA 0.575 4.895 4.320 0.001 0.000 0.271 240 K C 0.408 176.811 176.600 -0.328 0.000 1.013 240 K CA -0.282 55.847 56.287 -0.262 0.000 0.943 240 K CB 0.683 33.095 32.500 -0.148 0.000 0.998 240 K HN 0.744 nan 8.250 nan 0.000 0.468 241 S N 0.585 116.230 115.700 -0.092 0.000 2.558 241 S HA 0.088 4.558 4.470 0.001 0.000 0.287 241 S C 0.114 174.665 174.600 -0.081 0.000 1.321 241 S CA -0.147 58.037 58.200 -0.026 0.000 1.048 241 S CB -0.202 63.060 63.200 0.104 0.000 0.844 241 S HN 0.511 nan 8.310 nan 0.000 0.512 242 Y N 4.782 124.981 120.300 -0.169 0.000 2.702 242 Y HA 0.101 4.651 4.550 0.001 0.000 0.336 242 Y C -1.174 174.663 175.900 -0.105 0.000 1.235 242 Y CA -1.181 56.848 58.100 -0.119 0.000 1.492 242 Y CB 0.535 38.936 38.460 -0.099 0.000 1.308 242 Y HN 0.442 nan 8.280 nan 0.000 0.589 243 P HA 0.056 nan 4.420 nan 0.000 0.257 243 P C -0.357 176.755 177.300 -0.313 0.000 1.281 243 P CA 0.689 63.188 63.100 -1.002 0.000 0.826 243 P CB 0.520 31.882 31.700 -0.564 0.000 1.237 244 D N -0.449 119.853 120.400 -0.164 0.000 2.398 244 D HA 0.228 4.868 4.640 0.001 0.000 0.210 244 D C 1.148 177.380 176.300 -0.113 0.000 1.094 244 D CA 0.470 54.474 54.000 0.007 0.000 0.839 244 D CB 1.379 42.174 40.800 -0.008 0.000 0.963 244 D HN 0.207 nan 8.370 nan 0.000 0.506 245 G N 0.123 108.621 108.800 -0.502 0.000 2.606 245 G HA2 0.260 4.221 3.960 0.001 0.000 0.300 245 G HA3 0.260 4.221 3.960 0.001 0.000 0.300 245 G C -0.796 173.593 174.900 -0.851 0.000 1.360 245 G CA -0.801 43.717 45.100 -0.970 0.000 0.783 245 G HN 0.066 nan 8.290 nan 0.000 0.484 246 W N 0.535 121.428 121.300 -0.678 0.000 3.325 246 W HA 0.374 5.035 4.660 0.001 0.000 0.370 246 W C -0.477 176.001 176.519 -0.068 0.000 1.169 246 W CA -0.843 56.372 57.345 -0.217 0.000 1.874 246 W CB -0.645 28.763 29.460 -0.086 0.000 1.076 246 W HN 0.097 nan 8.180 nan 0.000 0.684 247 N N 1.733 120.246 118.700 -0.313 0.000 2.463 247 N HA 0.182 4.923 4.740 0.001 0.000 0.270 247 N C -0.659 174.869 175.510 0.030 0.000 1.205 247 N CA -0.609 52.261 53.050 -0.300 0.000 0.974 247 N CB 1.312 39.252 38.487 -0.912 0.000 1.197 247 N HN -0.055 nan 8.380 nan 0.000 0.504 248 L N 3.285 124.618 121.223 0.185 0.000 2.313 248 L HA 0.404 4.745 4.340 0.001 0.000 0.282 248 L C -2.213 174.839 176.870 0.304 0.000 1.092 248 L CA -1.353 53.653 54.840 0.276 0.000 0.831 248 L CB 0.404 42.688 42.059 0.375 0.000 1.159 248 L HN 0.456 nan 8.230 nan 0.000 0.442 249 P HA 0.222 nan 4.420 nan 0.000 0.274 249 P C 0.525 177.514 177.300 -0.519 0.000 1.246 249 P CA -0.340 62.700 63.100 -0.101 0.000 0.795 249 P CB 0.626 32.196 31.700 -0.216 0.000 1.006 250 G N 0.700 108.794 108.800 -1.177 0.000 2.471 250 G HA2 -0.144 3.817 3.960 0.001 0.000 0.219 250 G HA3 -0.144 3.817 3.960 0.001 0.000 0.219 250 G C 1.459 175.628 174.900 -1.218 0.000 1.125 250 G CA 0.733 44.398 45.100 -2.392 0.000 0.775 250 G HN 0.643 nan 8.290 nan 0.000 0.548 251 G N 0.184 108.659 108.800 -0.542 0.000 2.712 251 G HA2 0.352 4.312 3.960 0.001 0.000 0.212 251 G HA3 0.352 4.312 3.960 0.001 0.000 0.212 251 G C 0.895 175.810 174.900 0.025 0.000 1.142 251 G CA 0.449 45.492 45.100 -0.096 0.000 0.789 251 G HN 0.594 nan 8.290 nan 0.000 0.535 252 G N -0.437 108.396 108.800 0.054 0.000 2.467 252 G HA2 0.447 4.407 3.960 0.001 0.000 0.257 252 G HA3 0.447 4.407 3.960 0.001 0.000 0.257 252 G C -1.040 173.898 174.900 0.063 0.000 1.227 252 G CA -0.082 45.163 45.100 0.242 0.000 0.835 252 G HN 0.251 nan 8.290 nan 0.000 0.556 253 V N 1.544 121.475 119.914 0.029 0.000 2.760 253 V HA 0.328 4.449 4.120 0.001 0.000 0.309 253 V C -0.190 175.839 176.094 -0.107 0.000 1.077 253 V CA -0.893 61.394 62.300 -0.021 0.000 0.910 253 V CB 1.917 33.725 31.823 -0.025 0.000 1.008 253 V HN 0.840 nan 8.190 nan 0.000 0.424 254 Q N 3.649 123.348 119.800 -0.168 0.000 2.314 254 Q HA 0.413 4.753 4.340 0.001 0.000 0.257 254 Q C -0.100 175.685 176.000 -0.359 0.000 0.975 254 Q CA -0.403 55.180 55.803 -0.367 0.000 0.933 254 Q CB 0.762 29.010 28.738 -0.817 0.000 1.195 254 Q HN 0.625 nan 8.270 nan 0.000 0.426 255 R N 1.508 121.709 120.500 -0.498 0.000 2.649 255 R HA 0.714 5.055 4.340 0.001 0.000 0.270 255 R C -0.102 175.669 176.300 -0.881 0.000 1.105 255 R CA 0.433 56.008 56.100 -0.875 0.000 1.193 255 R CB 1.100 30.568 30.300 -1.388 0.000 1.120 255 R HN 0.852 nan 8.270 nan 0.000 0.561 256 G N 0.367 108.525 108.800 -1.071 0.000 2.347 256 G HA2 0.019 3.980 3.960 0.001 0.000 0.303 256 G HA3 0.019 3.980 3.960 0.001 0.000 0.303 256 G C -1.719 172.981 174.900 -0.332 0.000 1.481 256 G CA -1.082 43.696 45.100 -0.537 0.000 0.914 256 G HN 0.730 nan 8.290 nan 0.000 0.638 257 N N -1.336 117.376 118.700 0.020 0.000 2.467 257 N HA 0.538 5.279 4.740 0.001 0.000 0.262 257 N C 0.826 176.368 175.510 0.053 0.000 1.234 257 N CA -0.152 52.961 53.050 0.104 0.000 0.952 257 N CB 1.085 39.785 38.487 0.355 0.000 1.158 257 N HN 0.991 nan 8.380 nan 0.000 0.463 258 I N -2.395 118.208 120.570 0.055 0.000 3.491 258 I HA 0.342 4.512 4.170 0.001 0.000 0.332 258 I C -0.706 175.408 176.117 -0.005 0.000 1.565 258 I CA -0.705 60.546 61.300 -0.082 0.000 1.050 258 I CB -0.119 37.828 38.000 -0.088 0.000 1.348 258 I HN 0.256 nan 8.210 nan 0.000 0.506 259 L N 1.590 122.865 121.223 0.087 0.000 2.464 259 L HA 0.308 4.649 4.340 0.001 0.000 0.264 259 L C 0.417 177.342 176.870 0.092 0.000 1.199 259 L CA 0.040 54.893 54.840 0.021 0.000 0.818 259 L CB 0.340 42.337 42.059 -0.105 0.000 1.102 259 L HN 0.344 nan 8.230 nan 0.000 0.473 260 N N 2.883 121.592 118.700 0.015 0.000 3.012 260 N HA 0.216 4.957 4.740 0.001 0.000 0.270 260 N C 0.594 176.079 175.510 -0.042 0.000 1.469 260 N CA -0.095 52.971 53.050 0.027 0.000 0.928 260 N CB 1.191 39.682 38.487 0.006 0.000 1.219 260 N HN 0.566 nan 8.380 nan 0.000 0.492 261 L N 0.414 121.596 121.223 -0.069 0.000 2.240 261 L HA 0.024 4.364 4.340 0.001 0.000 0.211 261 L C 0.298 177.067 176.870 -0.168 0.000 1.106 261 L CA 0.283 55.042 54.840 -0.135 0.000 0.793 261 L CB -0.188 41.766 42.059 -0.175 0.000 0.927 261 L HN 0.372 nan 8.230 nan 0.000 0.446 262 N N 0.889 119.494 118.700 -0.158 0.000 2.716 262 N HA -0.230 4.511 4.740 0.001 0.000 0.250 262 N C 1.016 176.087 175.510 -0.732 0.000 1.033 262 N CA 1.036 53.849 53.050 -0.395 0.000 0.727 262 N CB -1.424 36.843 38.487 -0.368 0.000 0.950 262 N HN 0.625 nan 8.380 nan 0.000 0.541 263 G N -1.928 106.644 108.800 -0.381 0.000 2.175 263 G HA2 -0.294 3.667 3.960 0.001 0.000 0.244 263 G HA3 -0.294 3.667 3.960 0.001 0.000 0.244 263 G C 1.032 175.674 174.900 -0.430 0.000 0.982 263 G CA 0.837 45.741 45.100 -0.327 0.000 0.641 263 G HN 0.994 nan 8.290 nan 0.000 0.527 264 A N -0.001 122.562 122.820 -0.429 0.000 2.067 264 A HA 0.506 4.827 4.320 0.001 0.000 0.219 264 A C 2.699 179.909 177.584 -0.623 0.000 1.158 264 A CA 2.175 53.790 52.037 -0.704 0.000 0.661 264 A CB -0.597 18.193 19.000 -0.350 0.000 0.801 264 A HN 2.695 nan 8.150 nan 0.000 0.452 265 G N -0.428 108.113 108.800 -0.432 0.000 2.553 265 G HA2 -0.226 3.734 3.960 0.001 0.000 0.242 265 G HA3 -0.226 3.734 3.960 0.001 0.000 0.242 265 G C -0.246 174.482 174.900 -0.286 0.000 1.277 265 G CA 0.118 45.001 45.100 -0.361 0.000 0.910 265 G HN 0.905 nan 8.290 nan 0.000 0.576 266 D N 1.532 121.786 120.400 -0.243 0.000 2.793 266 D HA 0.227 4.868 4.640 0.001 0.000 0.230 266 D C -0.333 175.860 176.300 -0.179 0.000 1.139 266 D CA -0.057 53.837 54.000 -0.177 0.000 0.838 266 D CB 0.696 41.412 40.800 -0.139 0.000 1.149 266 D HN 0.130 nan 8.370 nan 0.000 0.526 267 P HA -0.154 nan 4.420 nan 0.000 0.218 267 P C 1.090 178.332 177.300 -0.096 0.000 1.146 267 P CA 1.121 64.129 63.100 -0.154 0.000 0.813 267 P CB 0.102 31.698 31.700 -0.174 0.000 0.778 268 L N -2.087 119.088 121.223 -0.080 0.000 2.446 268 L HA 0.092 4.432 4.340 0.001 0.000 0.219 268 L C 0.945 177.791 176.870 -0.041 0.000 1.116 268 L CA 1.178 55.983 54.840 -0.059 0.000 0.844 268 L CB -0.713 41.309 42.059 -0.062 0.000 0.970 268 L HN 0.065 nan 8.230 nan 0.000 0.457 269 T N -2.933 111.592 114.554 -0.048 0.000 3.697 269 T HA 0.299 4.650 4.350 0.001 0.000 0.260 269 T C -2.685 172.001 174.700 -0.023 0.000 0.998 269 T CA -1.465 60.635 62.100 0.001 0.000 1.128 269 T CB 0.129 68.985 68.868 -0.019 0.000 1.082 269 T HN -0.161 nan 8.240 nan 0.000 0.541 270 P HA 0.360 nan 4.420 nan 0.000 0.267 270 P C 1.194 178.447 177.300 -0.079 0.000 1.205 270 P CA 1.068 64.070 63.100 -0.162 0.000 0.765 270 P CB 0.714 32.431 31.700 0.027 0.000 0.828 271 G N 2.098 110.664 108.800 -0.390 0.000 2.279 271 G HA2 -0.198 3.762 3.960 0.001 0.000 0.223 271 G HA3 -0.198 3.762 3.960 0.001 0.000 0.223 271 G C -0.569 173.772 174.900 -0.932 0.000 1.015 271 G CA -0.289 44.478 45.100 -0.555 0.000 0.621 271 G HN 0.512 nan 8.290 nan 0.000 0.506 272 Y N 0.959 121.194 120.300 -0.109 0.000 2.534 272 Y HA 0.590 5.140 4.550 0.001 0.000 0.345 272 Y C -2.363 173.454 175.900 -0.138 0.000 1.031 272 Y CA -2.289 55.756 58.100 -0.092 0.000 1.022 272 Y CB 2.048 40.485 38.460 -0.037 0.000 1.292 272 Y HN -0.040 nan 8.280 nan 0.000 0.459 273 P HA 0.129 nan 4.420 nan 0.000 0.271 273 P C -0.523 176.769 177.300 -0.014 0.000 1.216 273 P CA -0.130 62.937 63.100 -0.055 0.000 0.776 273 P CB 0.846 32.563 31.700 0.028 0.000 0.881 274 A N 3.039 125.858 122.820 -0.001 0.000 3.063 274 A HA 0.128 4.449 4.320 0.001 0.000 0.263 274 A C 0.832 178.460 177.584 0.074 0.000 1.736 274 A CA -0.369 51.680 52.037 0.021 0.000 1.408 274 A CB -1.648 17.358 19.000 0.009 0.000 1.108 274 A HN 0.642 nan 8.150 nan 0.000 0.621 275 N N -0.373 118.291 118.700 -0.060 0.000 2.531 275 N HA 0.157 4.897 4.740 0.001 0.000 0.301 275 N C 0.640 176.037 175.510 -0.189 0.000 1.310 275 N CA -0.422 52.538 53.050 -0.150 0.000 0.949 275 N CB 0.197 38.526 38.487 -0.264 0.000 1.111 275 N HN 0.199 nan 8.380 nan 0.000 0.565 276 E N -1.058 119.046 120.200 -0.161 0.000 2.152 276 E HA -0.139 4.211 4.350 0.001 0.000 0.192 276 E C 0.746 177.352 176.600 0.010 0.000 0.983 276 E CA 1.195 57.589 56.400 -0.010 0.000 0.818 276 E CB -0.360 29.408 29.700 0.113 0.000 0.758 276 E HN 0.813 nan 8.360 nan 0.000 0.467 277 Y N -1.053 119.269 120.300 0.036 0.000 2.584 277 Y HA 0.648 5.199 4.550 0.001 0.000 0.254 277 Y C 0.579 176.509 175.900 0.049 0.000 1.177 277 Y CA -0.775 57.347 58.100 0.037 0.000 1.216 277 Y CB -0.296 38.181 38.460 0.028 0.000 1.172 277 Y HN -0.194 nan 8.280 nan 0.000 0.529 278 A N 1.128 123.810 122.820 -0.230 0.000 2.531 278 A HA 0.063 4.384 4.320 0.001 0.000 0.236 278 A C -0.925 176.684 177.584 0.042 0.000 1.062 278 A CA -0.083 51.880 52.037 -0.122 0.000 0.760 278 A CB -0.331 18.590 19.000 -0.131 0.000 0.995 278 A HN 0.568 nan 8.150 nan 0.000 0.501 279 Y N 1.987 122.264 120.300 -0.038 0.000 2.313 279 Y HA 0.489 5.040 4.550 0.001 0.000 0.332 279 Y C 0.555 176.442 175.900 -0.021 0.000 1.071 279 Y CA -0.089 57.998 58.100 -0.020 0.000 1.169 279 Y CB 0.746 39.189 38.460 -0.028 0.000 1.192 279 Y HN 0.687 nan 8.280 nan 0.000 0.487 280 R N 5.336 125.501 120.500 -0.559 0.000 2.514 280 R HA 0.454 4.794 4.340 0.001 0.000 0.301 280 R C -0.374 175.695 176.300 -0.384 0.000 0.962 280 R CA -1.048 54.859 56.100 -0.322 0.000 0.882 280 R CB 1.644 31.814 30.300 -0.217 0.000 1.143 280 R HN 0.715 nan 8.270 nan 0.000 0.452 281 R N 0.507 120.913 120.500 -0.158 0.000 2.756 281 R HA 0.034 4.374 4.340 0.001 0.000 0.264 281 R C 0.684 176.920 176.300 -0.106 0.000 1.026 281 R CA 0.266 56.312 56.100 -0.091 0.000 1.121 281 R CB 0.288 30.574 30.300 -0.022 0.000 0.999 281 R HN 0.751 nan 8.270 nan 0.000 0.449 282 G N 0.316 109.076 108.800 -0.067 0.000 2.491 282 G HA2 0.032 3.992 3.960 0.001 0.000 0.242 282 G HA3 0.032 3.992 3.960 0.001 0.000 0.242 282 G C 1.087 175.972 174.900 -0.025 0.000 1.266 282 G CA -0.672 44.401 45.100 -0.045 0.000 0.844 282 G HN 0.470 nan 8.290 nan 0.000 0.571 283 I N 1.870 122.432 120.570 -0.015 0.000 2.399 283 I HA -0.208 3.963 4.170 0.001 0.000 0.254 283 I C 3.007 179.127 176.117 0.004 0.000 1.146 283 I CA 1.807 63.108 61.300 0.001 0.000 1.412 283 I CB -0.861 37.150 38.000 0.019 0.000 1.076 283 I HN 0.785 nan 8.210 nan 0.000 0.432 284 A N -0.721 122.101 122.820 0.003 0.000 2.066 284 A HA -0.134 4.187 4.320 0.001 0.000 0.218 284 A C 1.849 179.434 177.584 0.002 0.000 1.157 284 A CA 1.414 53.454 52.037 0.005 0.000 0.670 284 A CB -0.390 18.615 19.000 0.007 0.000 0.804 284 A HN 0.643 nan 8.150 nan 0.000 0.453 285 E N -0.019 120.181 120.200 0.001 0.000 2.476 285 E HA 0.440 4.791 4.350 0.001 0.000 0.196 285 E C 0.565 177.162 176.600 -0.006 0.000 1.029 285 E CA 0.323 56.724 56.400 0.002 0.000 0.896 285 E CB 0.273 29.981 29.700 0.013 0.000 1.012 285 E HN 0.547 nan 8.360 nan 0.000 0.475 286 A N 0.626 123.438 122.820 -0.014 0.000 2.507 286 A HA 0.171 4.492 4.320 0.001 0.000 0.235 286 A C 0.293 177.852 177.584 -0.041 0.000 1.070 286 A CA -0.259 51.760 52.037 -0.030 0.000 0.768 286 A CB 0.418 19.400 19.000 -0.031 0.000 1.011 286 A HN 0.089 nan 8.150 nan 0.000 0.502 287 V N 1.668 121.544 119.914 -0.063 0.000 2.498 287 V HA 0.523 4.644 4.120 0.001 0.000 0.279 287 V C 1.422 177.454 176.094 -0.105 0.000 1.048 287 V CA 1.135 63.393 62.300 -0.069 0.000 0.967 287 V CB 0.451 32.233 31.823 -0.068 0.000 0.988 287 V HN 1.953 nan 8.190 nan 0.000 0.473 288 G N 4.276 113.025 108.800 -0.085 0.000 2.159 288 G HA2 -0.210 3.750 3.960 0.001 0.000 0.256 288 G HA3 -0.210 3.750 3.960 0.001 0.000 0.256 288 G C 0.072 174.917 174.900 -0.091 0.000 0.977 288 G CA 0.016 45.059 45.100 -0.095 0.000 0.652 288 G HN 0.573 nan 8.290 nan 0.000 0.531 289 L N 2.278 123.458 121.223 -0.072 0.000 2.367 289 L HA 0.343 4.684 4.340 0.001 0.000 0.275 289 L C -0.990 175.878 176.870 -0.004 0.000 1.129 289 L CA -1.697 53.127 54.840 -0.027 0.000 0.839 289 L CB 0.308 42.372 42.059 0.009 0.000 1.133 289 L HN 0.041 nan 8.230 nan 0.000 0.453 290 P HA 0.069 nan 4.420 nan 0.000 0.272 290 P C 0.028 177.336 177.300 0.013 0.000 1.223 290 P CA -0.403 62.702 63.100 0.007 0.000 0.784 290 P CB 1.056 32.766 31.700 0.016 0.000 0.923 291 S N 0.355 116.054 115.700 -0.001 0.000 2.539 291 S HA 0.224 4.694 4.470 0.001 0.000 0.221 291 S C 0.936 175.536 174.600 -0.000 0.000 0.987 291 S CA -0.413 57.788 58.200 0.002 0.000 0.929 291 S CB -0.656 62.541 63.200 -0.005 0.000 0.832 291 S HN 0.547 nan 8.310 nan 0.000 0.492 292 I N -1.248 119.321 120.570 -0.003 0.000 2.740 292 I HA 0.685 4.856 4.170 0.001 0.000 0.303 292 I C -3.101 173.015 176.117 -0.001 0.000 1.044 292 I CA -3.143 58.153 61.300 -0.006 0.000 1.064 292 I CB 2.008 40.002 38.000 -0.011 0.000 1.249 292 I HN -0.260 nan 8.210 nan 0.000 0.433 293 P HA 0.277 nan 4.420 nan 0.000 0.274 293 P C -0.829 176.474 177.300 0.005 0.000 1.231 293 P CA -0.172 62.924 63.100 -0.006 0.000 0.790 293 P CB 1.772 33.448 31.700 -0.040 0.000 0.951 294 V N 2.005 121.936 119.914 0.029 0.000 3.012 294 V HA 0.468 4.589 4.120 0.001 0.000 0.307 294 V C -0.957 175.200 176.094 0.105 0.000 1.166 294 V CA -0.386 61.932 62.300 0.031 0.000 0.974 294 V CB 2.108 33.923 31.823 -0.013 0.000 1.040 294 V HN 0.788 nan 8.190 nan 0.000 0.428 295 H N 4.168 123.219 119.070 -0.032 0.000 3.085 295 H HA 0.670 5.226 4.556 0.001 0.000 0.356 295 H C -3.127 172.195 175.328 -0.009 0.000 1.178 295 H CA -0.986 55.058 56.048 -0.006 0.000 1.214 295 H CB 3.428 33.203 29.762 0.021 0.000 1.881 295 H HN 0.480 nan 8.280 nan 0.000 0.538 296 P HA 0.436 nan 4.420 nan 0.000 0.292 296 P C -1.047 176.131 177.300 -0.203 0.000 1.300 296 P CA -0.708 62.239 63.100 -0.254 0.000 0.900 296 P CB 2.114 33.733 31.700 -0.136 0.000 1.139 297 I N -2.456 118.128 120.570 0.024 0.000 3.095 297 I HA 0.782 4.952 4.170 0.001 0.000 0.310 297 I C -0.025 176.184 176.117 0.153 0.000 1.196 297 I CA -1.318 60.039 61.300 0.096 0.000 0.985 297 I CB 1.944 40.039 38.000 0.158 0.000 1.250 297 I HN 0.335 nan 8.210 nan 0.000 0.446 298 G N 1.028 109.886 108.800 0.097 0.000 2.616 298 G HA2 0.228 4.189 3.960 0.001 0.000 0.268 298 G HA3 0.228 4.189 3.960 0.001 0.000 0.268 298 G C 0.074 175.039 174.900 0.108 0.000 1.213 298 G CA -0.175 44.944 45.100 0.031 0.000 0.926 298 G HN 0.897 nan 8.290 nan 0.000 0.523 299 Y N -2.187 118.168 120.300 0.092 0.000 2.509 299 Y HA 0.047 4.597 4.550 0.001 0.000 0.293 299 Y C 2.111 178.053 175.900 0.069 0.000 1.133 299 Y CA 0.381 58.536 58.100 0.091 0.000 1.283 299 Y CB -0.423 38.118 38.460 0.135 0.000 1.001 299 Y HN 0.347 nan 8.280 nan 0.000 0.555 300 Y N 1.488 121.764 120.300 -0.040 0.000 2.114 300 Y HA -0.175 4.375 4.550 0.001 0.000 0.284 300 Y C 2.066 177.971 175.900 0.009 0.000 1.143 300 Y CA 1.017 59.110 58.100 -0.012 0.000 1.135 300 Y CB -0.983 37.446 38.460 -0.052 0.000 0.980 300 Y HN 0.200 nan 8.280 nan 0.000 0.499 301 D N -0.565 119.983 120.400 0.247 0.000 2.218 301 D HA -0.099 4.542 4.640 0.001 0.000 0.204 301 D C 2.164 178.529 176.300 0.108 0.000 0.976 301 D CA 1.195 55.366 54.000 0.285 0.000 0.853 301 D CB -0.292 40.693 40.800 0.308 0.000 0.939 301 D HN 0.313 nan 8.370 nan 0.000 0.481 302 A N 0.407 123.231 122.820 0.006 0.000 1.930 302 A HA -0.156 4.164 4.320 0.001 0.000 0.215 302 A C 2.124 179.538 177.584 -0.284 0.000 1.176 302 A CA 1.342 53.248 52.037 -0.219 0.000 0.632 302 A CB -0.529 18.139 19.000 -0.555 0.000 0.819 302 A HN 0.190 nan 8.150 nan 0.000 0.445 303 Q N 0.103 119.797 119.800 -0.178 0.000 2.096 303 Q HA -0.189 4.152 4.340 0.001 0.000 0.204 303 Q C 2.159 177.983 176.000 -0.293 0.000 0.982 303 Q CA 2.302 57.979 55.803 -0.211 0.000 0.850 303 Q CB -0.136 28.550 28.738 -0.087 0.000 0.901 303 Q HN 0.441 nan 8.270 nan 0.000 0.422 304 K N -0.936 119.254 120.400 -0.350 0.000 2.063 304 K HA -0.096 4.224 4.320 0.001 0.000 0.208 304 K C 2.123 178.419 176.600 -0.506 0.000 1.048 304 K CA 1.347 57.283 56.287 -0.585 0.000 0.928 304 K CB -1.005 30.792 32.500 -1.172 0.000 0.713 304 K HN 0.255 nan 8.250 nan 0.000 0.442 305 L N 0.306 121.331 121.223 -0.330 0.000 2.240 305 L HA 0.197 4.537 4.340 0.001 0.000 0.211 305 L C 2.234 179.034 176.870 -0.115 0.000 1.106 305 L CA 1.146 55.895 54.840 -0.151 0.000 0.793 305 L CB -0.973 41.082 42.059 -0.006 0.000 0.927 305 L HN 0.368 nan 8.230 nan 0.000 0.446 306 L N -0.720 120.360 121.223 -0.239 0.000 2.416 306 L HA -0.011 4.330 4.340 0.001 0.000 0.216 306 L C 2.684 179.395 176.870 -0.266 0.000 1.098 306 L CA 0.608 55.292 54.840 -0.260 0.000 0.840 306 L CB -0.430 41.360 42.059 -0.449 0.000 0.981 306 L HN 0.451 nan 8.230 nan 0.000 0.462 307 E N 1.307 121.320 120.200 -0.311 0.000 2.204 307 E HA -0.226 4.124 4.350 0.001 0.000 0.195 307 E C 1.152 177.594 176.600 -0.264 0.000 0.990 307 E CA 1.062 57.285 56.400 -0.296 0.000 0.821 307 E CB -0.132 29.382 29.700 -0.310 0.000 0.750 307 E HN 0.466 nan 8.360 nan 0.000 0.477 308 K N 0.212 120.416 120.400 -0.327 0.000 2.387 308 K HA 0.181 4.502 4.320 0.001 0.000 0.198 308 K C 0.227 176.904 176.600 0.128 0.000 1.022 308 K CA -0.279 55.833 56.287 -0.291 0.000 1.128 308 K CB 0.252 32.189 32.500 -0.938 0.000 0.853 308 K HN 0.140 nan 8.250 nan 0.000 0.523 309 M N 1.856 121.533 119.600 0.129 0.000 2.269 309 M HA 0.024 4.504 4.480 0.001 0.000 0.350 309 M C 1.047 177.434 176.300 0.145 0.000 1.429 309 M CA 0.462 55.876 55.300 0.190 0.000 1.063 309 M CB 0.349 32.992 32.600 0.072 0.000 1.841 309 M HN 0.235 nan 8.290 nan 0.000 0.455 310 G N 2.140 111.034 108.800 0.157 0.000 3.022 310 G HA2 0.614 4.574 3.960 0.001 0.000 0.157 310 G HA3 0.614 4.574 3.960 0.001 0.000 0.157 310 G C 0.527 175.474 174.900 0.078 0.000 1.468 310 G CA -0.040 45.128 45.100 0.113 0.000 1.058 310 G HN 0.950 nan 8.290 nan 0.000 0.581 311 G N -0.677 108.159 108.800 0.060 0.000 2.602 311 G HA2 -0.220 3.740 3.960 0.001 0.000 0.317 311 G HA3 -0.220 3.740 3.960 0.001 0.000 0.317 311 G C 0.716 175.640 174.900 0.041 0.000 1.327 311 G CA 0.556 45.682 45.100 0.044 0.000 0.971 311 G HN 1.268 nan 8.290 nan 0.000 0.540 312 S N 0.252 115.970 115.700 0.030 0.000 2.573 312 S HA 0.506 4.976 4.470 0.001 0.000 0.277 312 S C 0.970 175.586 174.600 0.027 0.000 1.346 312 S CA 0.242 58.450 58.200 0.013 0.000 1.034 312 S CB 0.833 64.023 63.200 -0.016 0.000 0.879 312 S HN 1.599 nan 8.310 nan 0.000 0.528 313 A N 3.813 126.639 122.820 0.011 0.000 2.332 313 A HA 0.552 4.872 4.320 0.001 0.000 0.258 313 A C -2.332 175.252 177.584 0.000 0.000 1.087 313 A CA -1.558 50.495 52.037 0.028 0.000 0.802 313 A CB -0.490 18.521 19.000 0.018 0.000 1.042 313 A HN 0.549 nan 8.150 nan 0.000 0.489 314 P HA 0.017 nan 4.420 nan 0.000 0.263 314 P C -1.922 175.284 177.300 -0.157 0.000 1.175 314 P CA -0.695 62.417 63.100 0.019 0.000 0.761 314 P CB -0.024 31.792 31.700 0.193 0.000 0.794 315 P HA -0.118 nan 4.420 nan 0.000 0.226 315 P C -0.098 177.079 177.300 -0.205 0.000 1.153 315 P CA 1.393 64.264 63.100 -0.381 0.000 0.777 315 P CB 0.166 31.477 31.700 -0.649 0.000 0.794 316 D N -3.363 116.958 120.400 -0.131 0.000 2.827 316 D HA 0.015 4.656 4.640 0.001 0.000 0.336 316 D C 0.538 176.899 176.300 0.103 0.000 1.374 316 D CA -0.238 53.766 54.000 0.006 0.000 0.794 316 D CB -0.437 40.379 40.800 0.026 0.000 1.364 316 D HN -0.241 nan 8.370 nan 0.000 0.464 317 S N -0.886 114.872 115.700 0.098 0.000 2.489 317 S HA -0.058 4.413 4.470 0.001 0.000 0.228 317 S C 1.650 176.319 174.600 0.114 0.000 0.995 317 S CA 1.039 59.294 58.200 0.091 0.000 0.934 317 S CB -0.753 62.481 63.200 0.058 0.000 0.771 317 S HN 0.693 nan 8.310 nan 0.000 0.522 318 S N -0.656 115.154 115.700 0.184 0.000 2.522 318 S HA 0.051 4.521 4.470 0.001 0.000 0.227 318 S C 0.960 175.671 174.600 0.186 0.000 0.986 318 S CA -0.121 58.189 58.200 0.184 0.000 0.929 318 S CB -0.792 62.533 63.200 0.208 0.000 0.769 318 S HN 0.705 nan 8.310 nan 0.000 0.529 319 W N 2.502 123.788 121.300 -0.023 0.000 3.256 319 W HA 0.412 5.073 4.660 0.001 0.000 0.269 319 W C 1.368 177.825 176.519 -0.104 0.000 1.310 319 W CA -0.216 57.111 57.345 -0.029 0.000 1.673 319 W CB -0.327 29.155 29.460 0.037 0.000 1.115 319 W HN 0.370 nan 8.180 nan 0.000 0.686 320 R N 0.756 121.209 120.500 -0.079 0.000 2.338 320 R HA 0.697 5.037 4.340 0.001 0.000 0.317 320 R C 0.532 176.434 176.300 -0.664 0.000 0.968 320 R CA 0.051 55.834 56.100 -0.528 0.000 0.849 320 R CB -0.003 30.176 30.300 -0.201 0.000 1.128 320 R HN 0.101 nan 8.270 nan 0.000 0.448 321 G N -0.318 107.694 108.800 -1.313 0.000 2.546 321 G HA2 0.317 4.277 3.960 0.001 0.000 0.239 321 G HA3 0.317 4.277 3.960 0.001 0.000 0.239 321 G C 0.767 175.603 174.900 -0.106 0.000 1.476 321 G CA 0.587 45.422 45.100 -0.441 0.000 1.064 321 G HN 0.604 nan 8.290 nan 0.000 0.561 322 S N -1.048 114.714 115.700 0.104 0.000 2.540 322 S HA 0.254 4.725 4.470 0.001 0.000 0.222 322 S C 0.524 175.184 174.600 0.100 0.000 1.008 322 S CA -0.517 57.725 58.200 0.070 0.000 0.939 322 S CB -0.081 63.109 63.200 -0.016 0.000 0.865 322 S HN 0.147 nan 8.310 nan 0.000 0.499 323 L N 2.565 123.913 121.223 0.208 0.000 2.483 323 L HA 0.140 4.481 4.340 0.001 0.000 0.275 323 L C 0.706 177.596 176.870 0.034 0.000 1.220 323 L CA 0.406 55.281 54.840 0.058 0.000 0.833 323 L CB 0.118 42.156 42.059 -0.035 0.000 1.102 323 L HN -0.197 nan 8.230 nan 0.000 0.490 324 K N 2.363 122.741 120.400 -0.037 0.000 2.278 324 K HA 0.380 4.701 4.320 0.001 0.000 0.237 324 K C -0.300 176.233 176.600 -0.113 0.000 1.229 324 K CA -0.178 56.083 56.287 -0.043 0.000 1.155 324 K CB -1.046 31.428 32.500 -0.043 0.000 1.590 324 K HN 0.489 nan 8.250 nan 0.000 0.290 325 V N -2.117 117.690 119.914 -0.178 0.000 3.159 325 V HA 0.594 4.715 4.120 0.001 0.000 0.308 325 V C -2.135 173.830 176.094 -0.215 0.000 1.190 325 V CA -1.980 60.150 62.300 -0.284 0.000 1.037 325 V CB 2.222 33.745 31.823 -0.499 0.000 1.060 325 V HN 0.243 nan 8.190 nan 0.000 0.437 326 P HA 0.037 nan 4.420 nan 0.000 0.225 326 P C 0.148 177.501 177.300 0.089 0.000 1.156 326 P CA 0.979 64.074 63.100 -0.008 0.000 0.787 326 P CB -0.215 31.480 31.700 -0.008 0.000 0.802 327 Y N -1.650 118.595 120.300 -0.092 0.000 3.929 327 Y HA -0.202 4.348 4.550 0.001 0.000 0.225 327 Y C 0.340 176.254 175.900 0.024 0.000 1.200 327 Y CA -0.177 57.829 58.100 -0.156 0.000 1.791 327 Y CB -3.169 35.248 38.460 -0.072 0.000 1.561 327 Y HN 0.097 nan 8.280 nan 0.000 0.657 328 N N 0.219 118.982 118.700 0.105 0.000 2.395 328 N HA 0.080 4.821 4.740 0.001 0.000 0.246 328 N C 1.140 176.795 175.510 0.241 0.000 1.246 328 N CA 0.502 53.640 53.050 0.146 0.000 0.879 328 N CB 1.095 39.635 38.487 0.089 0.000 1.098 328 N HN 0.110 nan 8.380 nan 0.000 0.444 329 V N 0.713 120.769 119.914 0.237 0.000 3.129 329 V HA 0.070 4.191 4.120 0.001 0.000 0.259 329 V C 1.533 177.738 176.094 0.185 0.000 1.116 329 V CA 1.283 63.752 62.300 0.282 0.000 1.127 329 V CB -1.330 30.578 31.823 0.141 0.000 0.742 329 V HN 1.019 nan 8.190 nan 0.000 0.474 330 G N 0.441 109.314 108.800 0.121 0.000 2.542 330 G HA2 -0.179 3.781 3.960 0.001 0.000 0.235 330 G HA3 -0.179 3.781 3.960 0.001 0.000 0.235 330 G C -2.607 172.322 174.900 0.048 0.000 1.286 330 G CA -0.381 44.761 45.100 0.070 0.000 0.904 330 G HN 0.343 nan 8.290 nan 0.000 0.577 331 P HA 0.469 nan 4.420 nan 0.000 0.271 331 P C 0.852 178.124 177.300 -0.045 0.000 1.233 331 P CA 1.702 64.799 63.100 -0.005 0.000 0.789 331 P CB 0.278 31.974 31.700 -0.007 0.000 0.951 332 G N -0.307 108.404 108.800 -0.148 0.000 2.877 332 G HA2 -0.207 3.753 3.960 0.001 0.000 0.279 332 G HA3 -0.207 3.753 3.960 0.001 0.000 0.279 332 G C -0.769 174.015 174.900 -0.193 0.000 1.431 332 G CA -0.784 44.157 45.100 -0.265 0.000 0.883 332 G HN 0.356 nan 8.290 nan 0.000 0.547 333 F N 0.448 120.434 119.950 0.060 0.000 2.375 333 F HA 0.508 5.036 4.527 0.001 0.000 0.333 333 F C 1.757 177.621 175.800 0.106 0.000 1.104 333 F CA 0.062 58.108 58.000 0.076 0.000 1.149 333 F CB 1.428 40.492 39.000 0.107 0.000 1.190 333 F HN 0.762 nan 8.300 nan 0.000 0.533 338 S N 0.367 116.197 115.700 0.217 0.000 2.392 338 S HA -0.175 4.295 4.470 0.001 0.000 0.225 338 S C 1.645 176.350 174.600 0.175 0.000 1.041 338 S CA 2.936 61.243 58.200 0.178 0.000 1.100 338 S CB -0.001 63.251 63.200 0.086 0.000 1.029 338 S HN 0.796 nan 8.310 nan 0.000 0.424 339 T N -0.605 114.036 114.554 0.145 0.000 13.615 339 T HA -0.169 4.182 4.350 0.001 0.000 0.410 339 T C -0.390 174.421 174.700 0.186 0.000 1.507 339 T CA 0.790 62.976 62.100 0.144 0.000 2.458 339 T CB -1.064 67.884 68.868 0.133 0.000 2.677 339 T HN 0.625 nan 8.240 nan 0.000 0.346 340 Q N 2.078 122.059 119.800 0.301 0.000 2.340 340 Q HA 0.605 4.946 4.340 0.001 0.000 0.249 340 Q C -0.323 175.886 176.000 0.350 0.000 0.957 340 Q CA 0.002 56.011 55.803 0.343 0.000 0.882 340 Q CB 1.415 30.371 28.738 0.364 0.000 1.235 340 Q HN 0.228 nan 8.270 nan 0.000 0.439 341 K N 0.337 120.889 120.400 0.254 0.000 2.349 341 K HA 0.620 4.941 4.320 0.001 0.000 0.243 341 K C -0.924 175.781 176.600 0.175 0.000 1.058 341 K CA -0.736 55.627 56.287 0.127 0.000 0.871 341 K CB 2.092 34.627 32.500 0.059 0.000 1.337 341 K HN 0.440 nan 8.250 nan 0.000 0.469 342 V N 1.512 121.471 119.914 0.076 0.000 2.513 342 V HA 0.541 4.661 4.120 0.001 0.000 0.299 342 V C -0.254 175.858 176.094 0.030 0.000 1.035 342 V CA -0.649 61.711 62.300 0.100 0.000 0.889 342 V CB 1.616 33.494 31.823 0.091 0.000 0.988 342 V HN 0.624 nan 8.190 nan 0.000 0.440 343 K N 4.649 125.061 120.400 0.020 0.000 2.397 343 K HA 0.649 4.970 4.320 0.001 0.000 0.253 343 K C -1.174 175.264 176.600 -0.272 0.000 0.932 343 K CA -0.633 55.576 56.287 -0.129 0.000 0.795 343 K CB 1.690 34.114 32.500 -0.126 0.000 1.159 343 K HN 0.653 nan 8.250 nan 0.000 0.424 344 M N 3.554 122.928 119.600 -0.376 0.000 2.363 344 M HA 0.303 4.784 4.480 0.001 0.000 0.343 344 M C -0.560 175.305 176.300 -0.726 0.000 1.165 344 M CA -0.597 54.471 55.300 -0.387 0.000 1.046 344 M CB 1.357 33.833 32.600 -0.208 0.000 1.648 344 M HN 0.432 nan 8.290 nan 0.000 0.452 345 H N 4.273 123.071 119.070 -0.454 0.000 2.866 345 H HA 0.396 4.952 4.556 0.001 0.000 0.287 345 H C -1.145 173.802 175.328 -0.635 0.000 1.106 345 H CA -0.577 55.153 56.048 -0.530 0.000 1.396 345 H CB 0.941 30.321 29.762 -0.636 0.000 1.469 345 H HN 0.397 nan 8.280 nan 0.000 0.500 346 I N 3.092 123.304 120.570 -0.596 0.000 2.362 346 I HA 0.133 4.303 4.170 0.001 0.000 0.289 346 I C 0.404 176.140 176.117 -0.635 0.000 0.994 346 I CA -0.624 60.390 61.300 -0.476 0.000 1.158 346 I CB 0.923 38.809 38.000 -0.190 0.000 1.315 346 I HN 0.651 nan 8.210 nan 0.000 0.451 347 H N 1.789 120.875 119.070 0.027 0.000 2.567 347 H HA 0.288 4.845 4.556 0.001 0.000 0.267 347 H C 0.500 175.853 175.328 0.041 0.000 1.148 347 H CA -0.190 55.877 56.048 0.033 0.000 1.031 347 H CB 0.636 30.417 29.762 0.032 0.000 1.691 347 H HN 0.412 nan 8.280 nan 0.000 0.588 348 S N 1.675 117.431 115.700 0.093 0.000 2.572 348 S HA 0.185 4.656 4.470 0.001 0.000 0.279 348 S C 0.733 175.389 174.600 0.093 0.000 1.341 348 S CA -0.125 58.132 58.200 0.096 0.000 1.043 348 S CB 0.728 64.018 63.200 0.150 0.000 0.887 348 S HN 0.543 nan 8.310 nan 0.000 0.516 349 T N 0.584 115.188 114.554 0.084 0.000 2.912 349 T HA 0.499 4.850 4.350 0.001 0.000 0.288 349 T C -0.750 173.984 174.700 0.055 0.000 1.030 349 T CA -1.168 60.979 62.100 0.078 0.000 1.020 349 T CB 0.799 69.715 68.868 0.079 0.000 1.056 349 T HN 0.391 nan 8.240 nan 0.000 0.480 350 N N 2.486 121.222 118.700 0.059 0.000 2.438 350 N HA 0.397 5.138 4.740 0.001 0.000 0.282 350 N C -0.435 175.106 175.510 0.052 0.000 1.037 350 N CA -0.580 52.499 53.050 0.049 0.000 0.942 350 N CB 1.413 39.974 38.487 0.124 0.000 1.136 350 N HN 0.867 nan 8.380 nan 0.000 0.481 351 E N -0.539 119.680 120.200 0.031 0.000 2.356 351 E HA 0.348 4.699 4.350 0.001 0.000 0.275 351 E C -1.111 175.505 176.600 0.026 0.000 0.904 351 E CA -0.975 55.453 56.400 0.046 0.000 0.757 351 E CB 1.298 31.046 29.700 0.080 0.000 1.232 351 E HN -0.007 nan 8.360 nan 0.000 0.442 352 V N 2.044 121.969 119.914 0.019 0.000 2.479 352 V HA 0.248 4.369 4.120 0.001 0.000 0.281 352 V C -0.305 175.789 176.094 0.001 0.000 1.031 352 V CA 0.479 62.780 62.300 0.002 0.000 1.038 352 V CB 0.604 32.422 31.823 -0.008 0.000 0.981 352 V HN 0.749 nan 8.190 nan 0.000 0.478 353 T N 5.280 119.826 114.554 -0.012 0.000 2.916 353 T HA 0.459 4.809 4.350 0.001 0.000 0.305 353 T C -0.340 174.334 174.700 -0.044 0.000 1.119 353 T CA -0.769 61.325 62.100 -0.009 0.000 1.008 353 T CB 1.831 70.714 68.868 0.026 0.000 1.129 353 T HN 0.706 nan 8.240 nan 0.000 0.480 354 R N 2.503 122.959 120.500 -0.073 0.000 2.441 354 R HA 0.687 5.028 4.340 0.001 0.000 0.284 354 R C -0.314 175.870 176.300 -0.193 0.000 1.070 354 R CA -0.511 55.489 56.100 -0.167 0.000 1.047 354 R CB 0.264 30.404 30.300 -0.267 0.000 1.016 354 R HN 0.750 nan 8.270 nan 0.000 0.477 355 I N 0.067 120.488 120.570 -0.247 0.000 2.892 355 I HA 0.507 4.677 4.170 0.001 0.000 0.306 355 I C -1.599 174.361 176.117 -0.261 0.000 1.078 355 I CA -1.315 59.919 61.300 -0.109 0.000 1.032 355 I CB 2.168 40.206 38.000 0.064 0.000 1.229 355 I HN 0.563 nan 8.210 nan 0.000 0.435 356 Y N 2.007 122.432 120.300 0.208 0.000 2.346 356 Y HA 0.471 5.022 4.550 0.001 0.000 0.332 356 Y C -0.433 175.586 175.900 0.197 0.000 0.985 356 Y CA -0.808 57.421 58.100 0.215 0.000 1.112 356 Y CB 1.597 40.193 38.460 0.226 0.000 1.170 356 Y HN 0.499 nan 8.280 nan 0.000 0.447 357 N N 1.756 120.673 118.700 0.362 0.000 2.487 357 N HA 0.505 5.246 4.740 0.001 0.000 0.292 357 N C -1.062 174.521 175.510 0.120 0.000 1.108 357 N CA -0.546 52.666 53.050 0.270 0.000 0.956 357 N CB 2.279 40.998 38.487 0.387 0.000 1.176 357 N HN 0.268 nan 8.380 nan 0.000 0.484 358 V N 2.590 122.475 119.914 -0.048 0.000 2.398 358 V HA 0.420 4.540 4.120 0.001 0.000 0.286 358 V C -0.075 175.977 176.094 -0.069 0.000 1.026 358 V CA -0.669 61.562 62.300 -0.116 0.000 0.868 358 V CB 1.247 32.841 31.823 -0.381 0.000 0.982 358 V HN 0.438 nan 8.190 nan 0.000 0.443 359 I N 4.410 124.998 120.570 0.030 0.000 2.410 359 I HA 0.573 4.743 4.170 0.001 0.000 0.286 359 I C 0.597 176.829 176.117 0.193 0.000 1.009 359 I CA -0.055 61.263 61.300 0.029 0.000 1.111 359 I CB 1.419 39.403 38.000 -0.027 0.000 1.262 359 I HN 0.696 nan 8.210 nan 0.000 0.443 360 G N 4.069 113.045 108.800 0.292 0.000 2.400 360 G HA2 0.671 4.632 3.960 0.001 0.000 0.333 360 G HA3 0.671 4.632 3.960 0.001 0.000 0.333 360 G C -0.810 174.183 174.900 0.154 0.000 1.143 360 G CA -0.261 45.004 45.100 0.275 0.000 0.914 360 G HN 0.457 nan 8.290 nan 0.000 0.480 361 T N 1.356 115.983 114.554 0.122 0.000 2.841 361 T HA 0.380 4.731 4.350 0.001 0.000 0.285 361 T C -1.021 173.717 174.700 0.064 0.000 0.991 361 T CA -0.345 61.778 62.100 0.039 0.000 0.966 361 T CB 1.565 70.445 68.868 0.021 0.000 0.962 361 T HN 0.377 nan 8.240 nan 0.000 0.438 362 L N 4.263 125.496 121.223 0.016 0.000 2.313 362 L HA 0.498 4.838 4.340 0.001 0.000 0.273 362 L C 0.335 177.164 176.870 -0.067 0.000 1.028 362 L CA -0.671 54.179 54.840 0.018 0.000 0.871 362 L CB 0.519 42.628 42.059 0.083 0.000 1.242 362 L HN 0.548 nan 8.230 nan 0.000 0.434 363 R N 3.231 123.708 120.500 -0.039 0.000 2.484 363 R HA 0.354 4.694 4.340 0.001 0.000 0.293 363 R C 0.326 176.563 176.300 -0.104 0.000 1.023 363 R CA 0.409 56.480 56.100 -0.048 0.000 1.037 363 R CB 0.359 30.649 30.300 -0.016 0.000 0.951 363 R HN 0.882 nan 8.270 nan 0.000 0.418 364 G N 2.037 110.774 108.800 -0.106 0.000 2.544 364 G HA2 0.272 4.232 3.960 0.001 0.000 0.242 364 G HA3 0.272 4.232 3.960 0.001 0.000 0.242 364 G C 0.585 175.399 174.900 -0.142 0.000 1.247 364 G CA 0.021 45.025 45.100 -0.159 0.000 0.840 364 G HN 0.820 nan 8.290 nan 0.000 0.578 365 A N 0.898 123.605 122.820 -0.188 0.000 1.911 365 A HA 0.231 4.552 4.320 0.001 0.000 0.212 365 A C 2.163 179.683 177.584 -0.106 0.000 1.189 365 A CA 1.526 53.470 52.037 -0.155 0.000 0.639 365 A CB -0.050 18.825 19.000 -0.208 0.000 0.839 365 A HN 0.540 nan 8.150 nan 0.000 0.449 366 V N -0.399 119.449 119.914 -0.110 0.000 2.806 366 V HA 0.073 4.194 4.120 0.001 0.000 0.239 366 V C 0.533 176.589 176.094 -0.064 0.000 1.113 366 V CA 0.768 63.022 62.300 -0.077 0.000 1.137 366 V CB -0.253 31.525 31.823 -0.075 0.000 0.865 366 V HN 0.520 nan 8.190 nan 0.000 0.482 367 E N 1.439 121.593 120.200 -0.077 0.000 3.167 367 E HA 0.214 4.565 4.350 0.001 0.000 0.212 367 E C -2.083 174.480 176.600 -0.061 0.000 1.143 367 E CA -1.607 54.752 56.400 -0.068 0.000 1.002 367 E CB 1.109 30.763 29.700 -0.078 0.000 1.315 367 E HN 0.378 nan 8.360 nan 0.000 0.422 368 P HA -0.163 nan 4.420 nan 0.000 0.228 368 P C 0.450 177.784 177.300 0.055 0.000 1.151 368 P CA 1.128 64.234 63.100 0.010 0.000 0.770 368 P CB 0.156 31.866 31.700 0.017 0.000 0.786 369 D N -1.453 118.922 120.400 -0.041 0.000 2.427 369 D HA 0.040 4.680 4.640 0.001 0.000 0.224 369 D C 0.228 176.303 176.300 -0.375 0.000 1.157 369 D CA -0.192 53.714 54.000 -0.157 0.000 0.828 369 D CB 0.036 40.777 40.800 -0.099 0.000 0.974 369 D HN -0.065 nan 8.370 nan 0.000 0.498 370 R N 0.874 121.206 120.500 -0.280 0.000 2.480 370 R HA 0.313 4.653 4.340 0.001 0.000 0.306 370 R C -1.219 175.017 176.300 -0.107 0.000 0.958 370 R CA -0.705 55.227 56.100 -0.280 0.000 0.861 370 R CB 1.021 31.229 30.300 -0.155 0.000 1.171 370 R HN 0.022 nan 8.270 nan 0.000 0.445 371 Y N 1.159 121.449 120.300 -0.018 0.000 2.328 371 Y HA 0.386 4.936 4.550 0.001 0.000 0.337 371 Y C 0.442 176.321 175.900 -0.035 0.000 0.966 371 Y CA -1.158 56.931 58.100 -0.019 0.000 1.136 371 Y CB 1.535 40.034 38.460 0.065 0.000 1.170 371 Y HN 0.094 nan 8.280 nan 0.000 0.470 372 V N 5.746 125.691 119.914 0.053 0.000 2.435 372 V HA 0.468 4.588 4.120 0.001 0.000 0.290 372 V C -0.104 175.893 176.094 -0.162 0.000 1.030 372 V CA -0.811 61.458 62.300 -0.052 0.000 0.881 372 V CB 1.557 33.296 31.823 -0.140 0.000 0.983 372 V HN 0.561 nan 8.190 nan 0.000 0.445 373 I N 5.657 126.147 120.570 -0.134 0.000 2.389 373 I HA 0.422 4.592 4.170 0.001 0.000 0.288 373 I C -0.856 175.020 176.117 -0.401 0.000 0.999 373 I CA -0.630 60.535 61.300 -0.225 0.000 1.129 373 I CB 1.787 39.782 38.000 -0.009 0.000 1.288 373 I HN 0.376 nan 8.210 nan 0.000 0.444 374 L N 6.598 127.568 121.223 -0.422 0.000 2.280 374 L HA 0.868 5.209 4.340 0.001 0.000 0.287 374 L C -0.091 176.622 176.870 -0.263 0.000 1.023 374 L CA 0.132 54.776 54.840 -0.328 0.000 0.819 374 L CB 1.113 43.101 42.059 -0.118 0.000 1.212 374 L HN 0.642 nan 8.230 nan 0.000 0.420 375 G N 2.361 110.997 108.800 -0.274 0.000 2.620 375 G HA2 0.776 4.737 3.960 0.001 0.000 0.301 375 G HA3 0.776 4.737 3.960 0.001 0.000 0.301 375 G C -1.114 173.893 174.900 0.179 0.000 1.347 375 G CA -0.311 44.742 45.100 -0.078 0.000 0.971 375 G HN 0.952 nan 8.290 nan 0.000 0.488 376 G N -0.312 108.556 108.800 0.114 0.000 2.667 376 G HA2 0.608 4.568 3.960 0.001 0.000 0.294 376 G HA3 0.608 4.568 3.960 0.001 0.000 0.294 376 G C -0.987 174.113 174.900 0.335 0.000 1.467 376 G CA -0.703 44.599 45.100 0.336 0.000 0.852 376 G HN 1.236 nan 8.290 nan 0.000 0.521 377 H N -1.062 118.204 119.070 0.325 0.000 2.505 377 H HA 0.697 5.253 4.556 0.001 0.000 0.355 377 H C 1.077 176.466 175.328 0.103 0.000 1.179 377 H CA -0.659 55.548 56.048 0.265 0.000 1.343 377 H CB 1.830 31.753 29.762 0.268 0.000 1.501 377 H HN 0.525 nan 8.280 nan 0.000 0.569 378 R N 0.500 121.047 120.500 0.077 0.000 2.287 378 R HA -0.002 4.338 4.340 0.001 0.000 0.197 378 R C -0.358 175.917 176.300 -0.043 0.000 0.900 378 R CA 0.099 56.127 56.100 -0.120 0.000 1.052 378 R CB 0.259 30.447 30.300 -0.187 0.000 1.117 378 R HN 0.945 nan 8.270 nan 0.000 0.568 379 D N 1.583 122.068 120.400 0.142 0.000 2.399 379 D HA 0.006 4.647 4.640 0.001 0.000 0.241 379 D C -0.627 175.741 176.300 0.113 0.000 1.133 379 D CA 0.146 54.230 54.000 0.141 0.000 0.890 379 D CB 1.464 42.355 40.800 0.152 0.000 1.201 379 D HN 0.190 nan 8.370 nan 0.000 0.432 380 S N 0.492 116.206 115.700 0.024 0.000 2.599 380 S HA 0.320 4.790 4.470 0.001 0.000 0.287 380 S C 0.398 174.902 174.600 -0.160 0.000 1.105 380 S CA -1.056 57.128 58.200 -0.028 0.000 0.899 380 S CB 1.046 64.298 63.200 0.087 0.000 1.100 380 S HN 0.680 nan 8.310 nan 0.000 0.482 381 W N 0.865 122.128 121.300 -0.061 0.000 2.354 381 W HA 0.045 4.705 4.660 0.001 0.000 0.315 381 W C 1.492 177.951 176.519 -0.100 0.000 1.206 381 W CA 1.238 58.508 57.345 -0.125 0.000 1.290 381 W CB -0.124 29.162 29.460 -0.290 0.000 1.152 381 W HN 0.532 nan 8.180 nan 0.000 0.489 382 V N -2.573 117.385 119.914 0.074 0.000 5.886 382 V HA 0.104 4.224 4.120 0.001 0.000 0.121 382 V C 0.764 176.685 176.094 -0.289 0.000 1.034 382 V CA -0.314 61.864 62.300 -0.203 0.000 1.307 382 V CB -0.781 30.881 31.823 -0.270 0.000 2.430 382 V HN -0.194 nan 8.190 nan 0.000 0.319 383 F N 1.789 121.758 119.950 0.032 0.000 2.558 383 F HA 0.364 4.891 4.527 0.001 0.000 0.298 383 F C 1.940 177.819 175.800 0.131 0.000 1.119 383 F CA 0.961 58.994 58.000 0.055 0.000 1.451 383 F CB -0.801 38.198 39.000 -0.003 0.000 1.091 383 F HN 0.597 nan 8.300 nan 0.000 0.563 384 G N 0.606 109.555 108.800 0.248 0.000 2.341 384 G HA2 -0.289 3.671 3.960 0.001 0.000 0.292 384 G HA3 -0.289 3.671 3.960 0.001 0.000 0.292 384 G C 1.455 176.503 174.900 0.246 0.000 1.021 384 G CA 0.293 45.532 45.100 0.231 0.000 0.905 384 G HN 0.677 nan 8.290 nan 0.000 0.508 385 G N -0.297 108.654 108.800 0.252 0.000 2.513 385 G HA2 -0.190 3.771 3.960 0.001 0.000 0.219 385 G HA3 -0.190 3.771 3.960 0.001 0.000 0.219 385 G C 1.674 176.670 174.900 0.159 0.000 1.160 385 G CA 1.515 46.749 45.100 0.224 0.000 0.767 385 G HN 0.647 nan 8.290 nan 0.000 0.571 386 I N -0.570 120.060 120.570 0.100 0.000 2.681 386 I HA 0.129 4.299 4.170 0.001 0.000 0.247 386 I C 0.256 176.445 176.117 0.120 0.000 1.091 386 I CA 0.120 61.419 61.300 -0.002 0.000 1.442 386 I CB 0.218 38.040 38.000 -0.297 0.000 1.219 386 I HN -0.012 nan 8.210 nan 0.000 0.451 387 D N 2.226 122.771 120.400 0.241 0.000 2.428 387 D HA 0.158 4.799 4.640 0.001 0.000 0.221 387 D C -1.988 174.431 176.300 0.199 0.000 1.123 387 D CA -2.290 51.888 54.000 0.297 0.000 0.869 387 D CB 1.363 42.482 40.800 0.532 0.000 1.032 387 D HN 0.046 nan 8.370 nan 0.000 0.506 388 P HA 0.063 nan 4.420 nan 0.000 0.282 388 P C 0.781 178.094 177.300 0.022 0.000 1.327 388 P CA 0.012 63.047 63.100 -0.108 0.000 0.949 388 P CB 0.789 32.086 31.700 -0.672 0.000 1.445 389 Q N 0.711 120.583 119.800 0.119 0.000 2.224 389 Q HA -0.067 4.274 4.340 0.001 0.000 0.203 389 Q C 2.023 178.214 176.000 0.318 0.000 0.970 389 Q CA 1.740 57.691 55.803 0.246 0.000 0.865 389 Q CB -1.069 27.875 28.738 0.343 0.000 0.922 389 Q HN 0.407 nan 8.270 nan 0.000 0.445 390 S N -0.291 115.569 115.700 0.267 0.000 2.447 390 S HA -0.046 4.425 4.470 0.001 0.000 0.233 390 S C 1.892 176.642 174.600 0.250 0.000 1.006 390 S CA 1.003 59.403 58.200 0.333 0.000 0.957 390 S CB -0.323 63.015 63.200 0.230 0.000 0.773 390 S HN 0.411 nan 8.310 nan 0.000 0.507 391 G N 1.047 109.954 108.800 0.179 0.000 2.441 391 G HA2 0.328 4.288 3.960 0.001 0.000 0.212 391 G HA3 0.328 4.288 3.960 0.001 0.000 0.212 391 G C 1.640 176.670 174.900 0.215 0.000 1.164 391 G CA 0.349 45.546 45.100 0.162 0.000 0.811 391 G HN 0.689 nan 8.290 nan 0.000 0.535 392 A N 1.244 124.189 122.820 0.208 0.000 1.933 392 A HA 0.268 4.588 4.320 0.001 0.000 0.218 392 A C 2.717 180.565 177.584 0.441 0.000 1.175 392 A CA 2.211 54.387 52.037 0.232 0.000 0.628 392 A CB -0.615 18.414 19.000 0.047 0.000 0.814 392 A HN 0.700 nan 8.150 nan 0.000 0.444 393 A N -0.812 122.309 122.820 0.501 0.000 1.929 393 A HA 0.084 4.404 4.320 0.001 0.000 0.216 393 A C 2.186 180.044 177.584 0.456 0.000 1.176 393 A CA 1.498 53.833 52.037 0.497 0.000 0.628 393 A CB -0.738 18.496 19.000 0.391 0.000 0.816 393 A HN 0.338 nan 8.150 nan 0.000 0.444 394 V N -0.384 119.759 119.914 0.382 0.000 2.407 394 V HA -0.211 3.909 4.120 0.001 0.000 0.248 394 V C 2.579 178.840 176.094 0.277 0.000 1.055 394 V CA 1.930 64.413 62.300 0.305 0.000 1.049 394 V CB -0.480 31.488 31.823 0.243 0.000 0.662 394 V HN 0.377 nan 8.190 nan 0.000 0.455 395 V N -0.703 119.388 119.914 0.294 0.000 2.295 395 V HA -0.294 3.827 4.120 0.001 0.000 0.246 395 V C 2.389 178.649 176.094 0.276 0.000 1.049 395 V CA 2.359 64.823 62.300 0.274 0.000 1.024 395 V CB -0.839 31.161 31.823 0.294 0.000 0.648 395 V HN 0.610 nan 8.190 nan 0.000 0.447 396 H N 0.247 119.467 119.070 0.250 0.000 2.353 396 H HA -0.200 4.357 4.556 0.001 0.000 0.298 396 H C 2.257 177.582 175.328 -0.005 0.000 1.103 396 H CA 2.218 58.377 56.048 0.184 0.000 1.293 396 H CB -0.018 29.744 29.762 -0.001 0.000 1.372 396 H HN 0.469 nan 8.280 nan 0.000 0.501 397 E N 0.100 120.420 120.200 0.199 0.000 2.107 397 E HA -0.058 4.293 4.350 0.001 0.000 0.191 397 E C 2.284 178.858 176.600 -0.044 0.000 0.982 397 E CA 0.998 57.472 56.400 0.124 0.000 0.809 397 E CB -0.401 29.428 29.700 0.216 0.000 0.756 397 E HN 0.569 nan 8.360 nan 0.000 0.459 398 I N -0.404 120.194 120.570 0.047 0.000 2.142 398 I HA -0.271 3.899 4.170 0.001 0.000 0.240 398 I C 2.234 178.390 176.117 0.064 0.000 1.078 398 I CA 0.917 62.295 61.300 0.131 0.000 1.343 398 I CB -0.287 37.898 38.000 0.309 0.000 1.046 398 I HN 0.027 nan 8.210 nan 0.000 0.405 399 V N 0.802 120.584 119.914 -0.220 0.000 2.255 399 V HA -0.347 3.774 4.120 0.001 0.000 0.247 399 V C 2.639 178.519 176.094 -0.358 0.000 1.051 399 V CA 2.191 64.143 62.300 -0.580 0.000 1.018 399 V CB -0.830 30.368 31.823 -1.042 0.000 0.641 399 V HN 0.431 nan 8.190 nan 0.000 0.445 400 R N -0.203 119.967 120.500 -0.550 0.000 2.103 400 R HA -0.214 4.126 4.340 0.001 0.000 0.242 400 R C 2.616 178.694 176.300 -0.369 0.000 1.142 400 R CA 2.068 57.663 56.100 -0.842 0.000 0.960 400 R CB -0.440 29.176 30.300 -1.140 0.000 0.858 400 R HN 0.518 nan 8.270 nan 0.000 0.439 401 S N -0.488 115.055 115.700 -0.260 0.000 2.368 401 S HA -0.100 4.371 4.470 0.001 0.000 0.224 401 S C 1.747 176.312 174.600 -0.059 0.000 1.029 401 S CA 0.946 59.013 58.200 -0.222 0.000 0.988 401 S CB -0.291 62.675 63.200 -0.389 0.000 0.838 401 S HN 0.371 nan 8.310 nan 0.000 0.462 402 F N 2.057 122.109 119.950 0.171 0.000 2.126 402 F HA 0.069 4.596 4.527 0.001 0.000 0.299 402 F C 2.652 178.540 175.800 0.147 0.000 1.096 402 F CA 1.125 59.255 58.000 0.217 0.000 1.255 402 F CB -1.135 38.016 39.000 0.251 0.000 0.997 402 F HN 0.365 nan 8.300 nan 0.000 0.479 403 G N -1.176 107.741 108.800 0.195 0.000 2.422 403 G HA2 -0.231 3.730 3.960 0.001 0.000 0.218 403 G HA3 -0.231 3.730 3.960 0.001 0.000 0.218 403 G C 1.745 176.720 174.900 0.124 0.000 1.146 403 G CA 1.488 46.677 45.100 0.148 0.000 0.769 403 G HN 0.300 nan 8.290 nan 0.000 0.547 404 T N 1.628 116.209 114.554 0.045 0.000 2.622 404 T HA -0.107 4.244 4.350 0.001 0.000 0.266 404 T C 2.407 177.144 174.700 0.062 0.000 1.047 404 T CA 1.203 63.313 62.100 0.017 0.000 1.159 404 T CB -0.329 68.499 68.868 -0.066 0.000 0.863 404 T HN 0.151 nan 8.240 nan 0.000 0.422 405 L N 0.931 122.192 121.223 0.063 0.000 2.043 405 L HA -0.175 4.166 4.340 0.001 0.000 0.212 405 L C 2.829 179.888 176.870 0.316 0.000 1.075 405 L CA 1.551 56.449 54.840 0.095 0.000 0.752 405 L CB -0.783 41.203 42.059 -0.122 0.000 0.891 405 L HN 0.241 nan 8.230 nan 0.000 0.432 406 K N 1.272 121.908 120.400 0.393 0.000 2.057 406 K HA -0.203 4.117 4.320 0.001 0.000 0.207 406 K C 2.044 178.778 176.600 0.224 0.000 1.049 406 K CA 1.561 58.070 56.287 0.369 0.000 0.931 406 K CB 0.013 32.697 32.500 0.306 0.000 0.714 406 K HN 0.247 nan 8.250 nan 0.000 0.440 407 K N 0.378 120.879 120.400 0.167 0.000 2.211 407 K HA -0.078 4.243 4.320 0.001 0.000 0.203 407 K C 1.485 178.148 176.600 0.105 0.000 1.050 407 K CA 1.228 57.584 56.287 0.116 0.000 0.945 407 K CB 0.192 32.746 32.500 0.089 0.000 0.732 407 K HN 0.040 nan 8.250 nan 0.000 0.451 408 E N -0.434 119.836 120.200 0.117 0.000 2.416 408 E HA 0.094 4.444 4.350 0.001 0.000 0.189 408 E C 0.850 177.532 176.600 0.138 0.000 1.091 408 E CA 0.427 56.889 56.400 0.103 0.000 0.889 408 E CB 0.041 29.789 29.700 0.081 0.000 1.015 408 E HN 0.620 nan 8.360 nan 0.000 0.479 409 G N 0.295 109.189 108.800 0.158 0.000 2.175 409 G HA2 -0.289 3.672 3.960 0.001 0.000 0.244 409 G HA3 -0.289 3.672 3.960 0.001 0.000 0.244 409 G C -0.010 175.019 174.900 0.215 0.000 0.982 409 G CA 0.017 45.208 45.100 0.151 0.000 0.641 409 G HN 0.543 nan 8.290 nan 0.000 0.527 410 W N 1.471 122.809 121.300 0.064 0.000 2.375 410 W HA 0.787 5.447 4.660 0.001 0.000 0.336 410 W C 0.335 176.895 176.519 0.068 0.000 1.160 410 W CA -0.870 56.519 57.345 0.072 0.000 1.266 410 W CB 0.708 30.230 29.460 0.103 0.000 1.195 410 W HN 0.132 nan 8.180 nan 0.000 0.599 411 R N 4.841 124.828 120.500 -0.856 0.000 2.725 411 R HA 0.392 4.733 4.340 0.001 0.000 0.277 411 R C -2.368 172.872 176.300 -1.767 0.000 0.987 411 R CA -1.901 53.557 56.100 -1.070 0.000 0.901 411 R CB 2.172 32.182 30.300 -0.482 0.000 1.207 411 R HN 0.265 nan 8.270 nan 0.000 0.463 412 P HA 0.067 nan 4.420 nan 0.000 0.274 412 P C -0.182 176.792 177.300 -0.543 0.000 1.237 412 P CA -0.274 62.240 63.100 -0.976 0.000 0.793 412 P CB 0.994 32.346 31.700 -0.580 0.000 0.977 413 R N 1.567 121.845 120.500 -0.370 0.000 2.080 413 R HA -0.102 4.238 4.340 0.001 0.000 0.236 413 R C 0.725 176.905 176.300 -0.200 0.000 1.137 413 R CA 1.318 57.275 56.100 -0.240 0.000 0.943 413 R CB 0.044 30.244 30.300 -0.167 0.000 0.846 413 R HN 0.484 nan 8.270 nan 0.000 0.431 414 R N -0.015 120.365 120.500 -0.201 0.000 2.596 414 R HA 0.215 4.556 4.340 0.001 0.000 0.267 414 R C -0.456 175.751 176.300 -0.155 0.000 1.026 414 R CA -0.567 55.444 56.100 -0.150 0.000 1.087 414 R CB 1.368 31.588 30.300 -0.134 0.000 1.132 414 R HN 0.009 nan 8.270 nan 0.000 0.531 415 T N 2.183 116.700 114.554 -0.060 0.000 2.916 415 T HA 0.215 4.566 4.350 0.001 0.000 0.303 415 T C 0.327 174.944 174.700 -0.138 0.000 1.025 415 T CA 0.213 62.288 62.100 -0.041 0.000 1.142 415 T CB 0.159 69.111 68.868 0.141 0.000 0.947 415 T HN 0.247 nan 8.240 nan 0.000 0.544 416 I N 4.024 124.414 120.570 -0.300 0.000 2.404 416 I HA 0.426 4.597 4.170 0.001 0.000 0.293 416 I C -0.337 175.401 176.117 -0.633 0.000 0.992 416 I CA -0.742 60.224 61.300 -0.557 0.000 1.149 416 I CB 1.386 38.874 38.000 -0.853 0.000 1.315 416 I HN 0.302 nan 8.210 nan 0.000 0.446 417 L N 5.889 126.723 121.223 -0.648 0.000 2.346 417 L HA 0.566 4.906 4.340 0.001 0.000 0.276 417 L C -1.194 175.234 176.870 -0.736 0.000 1.006 417 L CA -0.579 53.948 54.840 -0.522 0.000 0.817 417 L CB 1.686 43.571 42.059 -0.289 0.000 1.272 417 L HN 0.380 nan 8.230 nan 0.000 0.421 418 F N 1.536 121.305 119.950 -0.303 0.000 2.507 418 F HA 0.716 5.243 4.527 0.001 0.000 0.325 418 F C 0.257 175.896 175.800 -0.268 0.000 1.116 418 F CA -0.591 57.176 58.000 -0.388 0.000 0.930 418 F CB 2.016 40.560 39.000 -0.761 0.000 1.146 418 F HN 0.401 nan 8.300 nan 0.000 0.447 419 A N 1.547 124.239 122.820 -0.214 0.000 2.371 419 A HA 0.661 4.982 4.320 0.001 0.000 0.311 419 A C -0.740 176.595 177.584 -0.416 0.000 1.068 419 A CA -0.731 50.956 52.037 -0.583 0.000 0.744 419 A CB 1.563 19.493 19.000 -1.782 0.000 1.239 419 A HN 0.596 nan 8.150 nan 0.000 0.435 420 S N 2.505 118.015 115.700 -0.317 0.000 2.488 420 S HA 0.471 4.942 4.470 0.001 0.000 0.310 420 S C -0.793 173.711 174.600 -0.161 0.000 1.093 420 S CA -0.443 57.598 58.200 -0.265 0.000 1.129 420 S CB -0.336 62.639 63.200 -0.375 0.000 0.989 420 S HN 0.516 nan 8.310 nan 0.000 0.479 421 W N 2.860 124.229 121.300 0.116 0.000 2.202 421 W HA 0.381 5.041 4.660 0.001 0.000 0.332 421 W C 0.748 177.349 176.519 0.136 0.000 1.263 421 W CA -0.794 56.632 57.345 0.134 0.000 1.223 421 W CB 0.481 30.053 29.460 0.186 0.000 1.128 421 W HN 0.482 nan 8.180 nan 0.000 0.573 422 D N 0.330 120.975 120.400 0.407 0.000 2.326 422 D HA 0.368 5.008 4.640 0.001 0.000 0.251 422 D C 0.419 176.849 176.300 0.218 0.000 1.023 422 D CA 0.234 54.400 54.000 0.276 0.000 0.966 422 D CB 1.667 42.620 40.800 0.255 0.000 1.156 422 D HN 0.557 nan 8.370 nan 0.000 0.494 423 A N 1.865 124.788 122.820 0.172 0.000 2.798 423 A HA -0.240 4.081 4.320 0.001 0.000 0.282 423 A C 1.560 179.208 177.584 0.106 0.000 1.464 423 A CA 1.433 53.564 52.037 0.157 0.000 0.844 423 A CB -1.788 17.259 19.000 0.079 0.000 1.006 423 A HN 0.667 nan 8.150 nan 0.000 0.577 424 E N 0.120 120.318 120.200 -0.003 0.000 2.085 424 E HA -0.234 4.116 4.350 0.001 0.000 0.194 424 E C 1.545 178.036 176.600 -0.182 0.000 0.994 424 E CA 1.709 57.993 56.400 -0.194 0.000 0.801 424 E CB -0.093 29.248 29.700 -0.599 0.000 0.743 424 E HN 0.775 nan 8.360 nan 0.000 0.453 425 E N -0.614 119.441 120.200 -0.241 0.000 2.268 425 E HA -0.130 4.221 4.350 0.001 0.000 0.195 425 E C 1.314 177.803 176.600 -0.184 0.000 0.995 425 E CA 0.536 56.721 56.400 -0.358 0.000 0.836 425 E CB -0.257 28.752 29.700 -1.150 0.000 0.763 425 E HN 0.334 nan 8.360 nan 0.000 0.491 426 F N -0.327 119.612 119.950 -0.018 0.000 2.641 426 F HA 0.304 4.832 4.527 0.001 0.000 0.302 426 F C 1.155 177.059 175.800 0.173 0.000 1.098 426 F CA 0.286 58.413 58.000 0.213 0.000 1.318 426 F CB 1.036 40.153 39.000 0.195 0.000 1.035 426 F HN 0.004 nan 8.300 nan 0.000 0.551 427 G N 0.254 109.155 108.800 0.168 0.000 2.245 427 G HA2 -0.141 3.820 3.960 0.001 0.000 0.116 427 G HA3 -0.141 3.820 3.960 0.001 0.000 0.116 427 G C 0.329 175.186 174.900 -0.072 0.000 1.054 427 G CA -0.420 44.697 45.100 0.029 0.000 0.728 427 G HN 0.312 nan 8.290 nan 0.000 0.483 428 L N -1.649 119.524 121.223 -0.083 0.000 3.717 428 L HA -0.259 4.081 4.340 0.001 0.000 0.414 428 L C 1.950 178.707 176.870 -0.189 0.000 1.228 428 L CA 0.750 55.492 54.840 -0.163 0.000 0.918 428 L CB -1.937 39.987 42.059 -0.225 0.000 1.865 428 L HN 0.399 nan 8.230 nan 0.000 0.922 429 L N -0.482 120.676 121.223 -0.109 0.000 2.109 429 L HA -0.011 4.330 4.340 0.001 0.000 0.207 429 L C 2.524 179.292 176.870 -0.171 0.000 1.086 429 L CA 1.626 56.385 54.840 -0.135 0.000 0.760 429 L CB -0.447 41.581 42.059 -0.051 0.000 0.910 429 L HN 0.576 nan 8.230 nan 0.000 0.437 430 G N 0.201 108.953 108.800 -0.080 0.000 2.394 430 G HA2 -0.235 3.725 3.960 0.001 0.000 0.214 430 G HA3 -0.235 3.725 3.960 0.001 0.000 0.214 430 G C 1.830 176.625 174.900 -0.175 0.000 1.176 430 G CA 0.881 45.990 45.100 0.014 0.000 0.786 430 G HN 0.464 nan 8.290 nan 0.000 0.533 431 S N 0.359 115.742 115.700 -0.529 0.000 2.382 431 S HA -0.135 4.336 4.470 0.001 0.000 0.228 431 S C 2.240 176.442 174.600 -0.663 0.000 1.027 431 S CA 2.156 59.646 58.200 -1.183 0.000 0.991 431 S CB -0.839 61.564 63.200 -1.328 0.000 0.823 431 S HN 0.266 nan 8.310 nan 0.000 0.469 432 T N 2.041 116.285 114.554 -0.517 0.000 2.770 432 T HA 0.028 4.378 4.350 0.001 0.000 0.263 432 T C 1.822 176.252 174.700 -0.450 0.000 1.039 432 T CA 1.298 63.105 62.100 -0.488 0.000 1.142 432 T CB -0.355 68.253 68.868 -0.433 0.000 0.868 432 T HN 0.339 nan 8.240 nan 0.000 0.435 433 E N 0.266 120.179 120.200 -0.479 0.000 2.110 433 E HA -0.115 4.235 4.350 0.001 0.000 0.193 433 E C 1.739 177.984 176.600 -0.592 0.000 0.988 433 E CA 0.831 56.852 56.400 -0.632 0.000 0.804 433 E CB -0.389 28.696 29.700 -1.024 0.000 0.745 433 E HN 0.653 nan 8.360 nan 0.000 0.458 434 W N 1.443 122.395 121.300 -0.579 0.000 2.381 434 W HA -0.091 4.570 4.660 0.001 0.000 0.301 434 W C 2.338 178.797 176.519 -0.101 0.000 1.205 434 W CA 2.207 59.461 57.345 -0.152 0.000 1.285 434 W CB -0.266 29.297 29.460 0.171 0.000 1.133 434 W HN 0.053 nan 8.180 nan 0.000 0.521 435 A N 0.078 122.820 122.820 -0.130 0.000 1.969 435 A HA -0.177 4.143 4.320 0.001 0.000 0.218 435 A C 1.778 179.162 177.584 -0.335 0.000 1.169 435 A CA 1.717 53.572 52.037 -0.302 0.000 0.635 435 A CB -0.725 17.943 19.000 -0.553 0.000 0.810 435 A HN 0.461 nan 8.150 nan 0.000 0.445 436 E N -0.589 119.410 120.200 -0.335 0.000 2.153 436 E HA -0.211 4.139 4.350 0.001 0.000 0.194 436 E C 1.949 178.417 176.600 -0.220 0.000 0.988 436 E CA 1.218 57.446 56.400 -0.286 0.000 0.811 436 E CB -0.071 29.443 29.700 -0.310 0.000 0.746 436 E HN 0.836 nan 8.360 nan 0.000 0.466 437 E N 0.688 120.743 120.200 -0.243 0.000 2.112 437 E HA -0.074 4.276 4.350 0.001 0.000 0.190 437 E C 1.147 177.607 176.600 -0.234 0.000 0.979 437 E CA 0.621 56.915 56.400 -0.177 0.000 0.814 437 E CB 0.297 29.933 29.700 -0.107 0.000 0.762 437 E HN 0.100 nan 8.360 nan 0.000 0.460 438 N N 0.382 118.835 118.700 -0.411 0.000 2.238 438 N HA -0.004 4.737 4.740 0.001 0.000 0.222 438 N C 1.169 176.554 175.510 -0.208 0.000 1.133 438 N CA 0.500 53.320 53.050 -0.384 0.000 0.854 438 N CB 0.962 38.963 38.487 -0.809 0.000 1.041 438 N HN 0.129 nan 8.380 nan 0.000 0.510 439 S N 1.182 116.785 115.700 -0.162 0.000 2.383 439 S HA -0.157 4.314 4.470 0.001 0.000 0.229 439 S C 1.917 176.509 174.600 -0.013 0.000 1.030 439 S CA 0.713 58.861 58.200 -0.085 0.000 1.002 439 S CB -0.158 62.983 63.200 -0.099 0.000 0.829 439 S HN 0.248 nan 8.310 nan 0.000 0.467 440 R N 1.275 121.768 120.500 -0.011 0.000 2.081 440 R HA 0.106 4.447 4.340 0.001 0.000 0.235 440 R C 2.405 178.740 176.300 0.059 0.000 1.131 440 R CA 1.652 57.766 56.100 0.024 0.000 0.960 440 R CB -0.746 29.566 30.300 0.020 0.000 0.856 440 R HN 0.437 nan 8.270 nan 0.000 0.436 441 L N 0.198 121.464 121.223 0.071 0.000 2.056 441 L HA -0.131 4.210 4.340 0.001 0.000 0.207 441 L C 2.277 179.265 176.870 0.197 0.000 1.078 441 L CA 1.114 56.045 54.840 0.153 0.000 0.749 441 L CB -0.517 41.683 42.059 0.236 0.000 0.901 441 L HN 0.180 nan 8.230 nan 0.000 0.433 442 L N -0.015 121.322 121.223 0.191 0.000 2.109 442 L HA -0.187 4.154 4.340 0.001 0.000 0.207 442 L C 2.865 179.858 176.870 0.205 0.000 1.086 442 L CA 1.252 56.252 54.840 0.266 0.000 0.760 442 L CB -0.527 41.693 42.059 0.268 0.000 0.910 442 L HN 0.435 nan 8.230 nan 0.000 0.437 443 Q N -0.427 119.465 119.800 0.154 0.000 2.230 443 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 443 Q C 1.379 177.521 176.000 0.237 0.000 0.963 443 Q CA 1.014 56.920 55.803 0.172 0.000 0.866 443 Q CB -0.018 28.792 28.738 0.120 0.000 0.931 443 Q HN 0.414 nan 8.270 nan 0.000 0.452 444 E N 0.951 121.262 120.200 0.185 0.000 2.340 444 E HA 0.050 4.401 4.350 0.001 0.000 0.194 444 E C 1.249 177.899 176.600 0.083 0.000 0.996 444 E CA 0.450 56.992 56.400 0.237 0.000 0.869 444 E CB 0.391 30.181 29.700 0.150 0.000 0.835 444 E HN 0.487 nan 8.360 nan 0.000 0.493 445 R N 0.046 120.524 120.500 -0.036 0.000 2.509 445 R HA 0.235 4.576 4.340 0.001 0.000 0.297 445 R C 0.852 177.021 176.300 -0.219 0.000 0.951 445 R CA 0.192 56.131 56.100 -0.268 0.000 1.103 445 R CB 1.106 31.016 30.300 -0.650 0.000 1.283 445 R HN -0.108 nan 8.270 nan 0.000 0.534 446 G N 0.586 109.394 108.800 0.014 0.000 2.351 446 G HA2 0.296 4.256 3.960 0.001 0.000 0.287 446 G HA3 0.296 4.256 3.960 0.001 0.000 0.287 446 G C 0.731 175.695 174.900 0.108 0.000 1.159 446 G CA -0.441 44.758 45.100 0.165 0.000 0.929 446 G HN -0.074 nan 8.290 nan 0.000 0.435 447 V N 2.369 122.352 119.914 0.115 0.000 2.426 447 V HA 0.437 4.557 4.120 0.001 0.000 0.242 447 V C 1.462 177.724 176.094 0.281 0.000 1.036 447 V CA 2.006 64.387 62.300 0.135 0.000 1.044 447 V CB -0.330 31.522 31.823 0.049 0.000 0.688 447 V HN 0.999 nan 8.190 nan 0.000 0.462 448 A N -1.551 121.417 122.820 0.247 0.000 2.605 448 A HA 0.676 4.996 4.320 0.001 0.000 0.294 448 A C -2.119 175.597 177.584 0.219 0.000 1.062 448 A CA -0.361 51.843 52.037 0.279 0.000 0.682 448 A CB 1.158 20.334 19.000 0.294 0.000 1.278 448 A HN 0.189 nan 8.150 nan 0.000 0.410 449 Y N 2.325 122.681 120.300 0.092 0.000 2.338 449 Y HA 0.671 5.221 4.550 0.001 0.000 0.333 449 Y C -1.181 174.729 175.900 0.017 0.000 0.968 449 Y CA -1.017 57.076 58.100 -0.012 0.000 1.123 449 Y CB 1.176 39.576 38.460 -0.099 0.000 1.165 449 Y HN 0.551 nan 8.280 nan 0.000 0.452 450 I N 5.642 125.834 120.570 -0.631 0.000 2.378 450 I HA 0.244 4.414 4.170 0.001 0.000 0.291 450 I C -0.295 175.461 176.117 -0.601 0.000 0.992 450 I CA -0.739 60.322 61.300 -0.397 0.000 1.154 450 I CB 1.149 39.029 38.000 -0.200 0.000 1.315 450 I HN 0.698 nan 8.210 nan 0.000 0.448 451 N N 4.086 122.685 118.700 -0.168 0.000 2.463 451 N HA 0.652 5.393 4.740 0.001 0.000 0.270 451 N C -0.322 175.247 175.510 0.099 0.000 1.205 451 N CA -0.215 52.905 53.050 0.117 0.000 0.974 451 N CB 1.372 40.132 38.487 0.455 0.000 1.197 451 N HN 0.722 nan 8.380 nan 0.000 0.504 452 A N 1.258 124.197 122.820 0.198 0.000 3.474 452 A HA 0.193 4.514 4.320 0.001 0.000 0.251 452 A C -0.508 177.199 177.584 0.205 0.000 1.062 452 A CA -0.618 51.517 52.037 0.163 0.000 0.945 452 A CB -0.276 18.801 19.000 0.129 0.000 1.296 452 A HN 0.644 nan 8.150 nan 0.000 0.592 453 D N 0.545 121.091 120.400 0.242 0.000 2.403 453 D HA 0.283 4.923 4.640 0.001 0.000 0.278 453 D C 0.662 177.052 176.300 0.149 0.000 1.230 453 D CA -0.054 54.087 54.000 0.234 0.000 1.062 453 D CB 0.629 41.633 40.800 0.340 0.000 1.119 453 D HN 0.262 nan 8.370 nan 0.000 0.557 454 S N -0.474 115.312 115.700 0.143 0.000 3.545 454 S HA -0.077 4.394 4.470 0.001 0.000 0.421 454 S C 1.322 175.928 174.600 0.010 0.000 1.160 454 S CA 0.090 58.336 58.200 0.076 0.000 1.002 454 S CB 0.060 63.319 63.200 0.097 0.000 0.703 454 S HN 0.337 nan 8.310 nan 0.000 0.505 455 S N 2.067 117.734 115.700 -0.056 0.000 2.428 455 S HA 0.072 4.542 4.470 0.001 0.000 0.230 455 S C 0.957 175.459 174.600 -0.164 0.000 1.014 455 S CA 0.636 58.760 58.200 -0.125 0.000 0.957 455 S CB -0.377 62.668 63.200 -0.257 0.000 0.784 455 S HN 0.824 nan 8.310 nan 0.000 0.499 456 I N -0.650 119.787 120.570 -0.220 0.000 2.686 456 I HA 0.533 4.704 4.170 0.001 0.000 0.295 456 I C -0.478 175.490 176.117 -0.249 0.000 1.114 456 I CA -0.772 60.412 61.300 -0.193 0.000 1.038 456 I CB 2.372 40.231 38.000 -0.236 0.000 1.238 456 I HN 0.065 nan 8.210 nan 0.000 0.420 457 E N 3.594 123.691 120.200 -0.171 0.000 2.862 457 E HA 0.591 4.942 4.350 0.001 0.000 0.204 457 E C 0.054 176.637 176.600 -0.028 0.000 0.966 457 E CA -0.486 55.777 56.400 -0.228 0.000 1.257 457 E CB 1.143 30.815 29.700 -0.047 0.000 1.053 457 E HN 1.098 nan 8.360 nan 0.000 0.487 458 G N 1.580 110.393 108.800 0.022 0.000 2.313 458 G HA2 0.194 4.154 3.960 0.001 0.000 0.296 458 G HA3 0.194 4.154 3.960 0.001 0.000 0.296 458 G C -1.268 173.564 174.900 -0.113 0.000 1.356 458 G CA -0.291 44.768 45.100 -0.067 0.000 0.833 458 G HN 0.096 nan 8.290 nan 0.000 0.552 459 N N -1.454 117.119 118.700 -0.213 0.000 2.305 459 N HA 0.139 4.880 4.740 0.001 0.000 0.248 459 N C 0.357 175.758 175.510 -0.181 0.000 1.290 459 N CA -0.323 52.480 53.050 -0.412 0.000 0.873 459 N CB 0.138 38.257 38.487 -0.613 0.000 1.261 459 N HN 0.461 nan 8.380 nan 0.000 0.504 460 Y N 0.910 121.125 120.300 -0.143 0.000 2.190 460 Y HA 0.348 4.898 4.550 0.001 0.000 0.290 460 Y C 0.544 176.392 175.900 -0.087 0.000 1.115 460 Y CA 1.146 59.193 58.100 -0.087 0.000 1.107 460 Y CB 0.080 38.475 38.460 -0.108 0.000 1.033 460 Y HN 0.110 nan 8.280 nan 0.000 0.502 461 T N -1.015 113.284 114.554 -0.425 0.000 2.731 461 T HA 0.384 4.734 4.350 0.001 0.000 0.300 461 T C -1.979 171.930 174.700 -1.318 0.000 1.283 461 T CA -0.716 60.882 62.100 -0.837 0.000 1.005 461 T CB 0.517 69.005 68.868 -0.634 0.000 1.420 461 T HN 0.033 nan 8.240 nan 0.000 0.503 462 L N 2.647 123.111 121.223 -1.266 0.000 2.453 462 L HA 0.527 4.867 4.340 0.001 0.000 0.272 462 L C 0.361 176.771 176.870 -0.767 0.000 1.182 462 L CA 0.465 54.600 54.840 -1.175 0.000 0.858 462 L CB 0.280 41.533 42.059 -1.343 0.000 1.120 462 L HN 0.558 nan 8.230 nan 0.000 0.474 463 R N 3.905 124.075 120.500 -0.549 0.000 2.439 463 R HA 0.666 5.007 4.340 0.001 0.000 0.310 463 R C -1.903 174.229 176.300 -0.280 0.000 0.955 463 R CA -0.612 55.312 56.100 -0.293 0.000 0.853 463 R CB 1.390 31.567 30.300 -0.204 0.000 1.171 463 R HN 0.526 nan 8.270 nan 0.000 0.449 464 V N 4.228 124.036 119.914 -0.177 0.000 2.540 464 V HA 0.341 4.461 4.120 0.001 0.000 0.302 464 V C -1.078 174.969 176.094 -0.079 0.000 1.035 464 V CA -0.834 61.376 62.300 -0.151 0.000 0.873 464 V CB 2.079 33.807 31.823 -0.159 0.000 0.992 464 V HN 0.769 nan 8.190 nan 0.000 0.428 465 D N 3.677 123.995 120.400 -0.136 0.000 2.375 465 D HA 0.776 5.417 4.640 0.001 0.000 0.247 465 D C -0.404 175.745 176.300 -0.252 0.000 1.061 465 D CA -0.090 53.801 54.000 -0.182 0.000 0.834 465 D CB 1.825 42.477 40.800 -0.246 0.000 1.247 465 D HN 0.892 nan 8.370 nan 0.000 0.489 466 C N -0.703 118.462 119.300 -0.225 0.000 3.295 466 C HA 0.739 5.200 4.460 0.001 0.000 0.341 466 C C 0.120 174.922 174.990 -0.314 0.000 1.418 466 C CA -0.944 57.901 59.018 -0.289 0.000 1.240 466 C CB 1.212 28.878 27.740 -0.124 0.000 1.562 466 C HN 0.560 nan 8.230 nan 0.000 0.457 467 T N 1.228 115.540 114.554 -0.403 0.000 2.926 467 T HA 0.389 4.740 4.350 0.001 0.000 0.307 467 T C -1.348 173.054 174.700 -0.498 0.000 1.059 467 T CA -0.262 61.610 62.100 -0.380 0.000 1.122 467 T CB 0.583 69.356 68.868 -0.159 0.000 0.972 467 T HN 0.666 nan 8.240 nan 0.000 0.545 468 P HA -0.027 nan 4.420 nan 0.000 0.218 468 P C 1.536 178.312 177.300 -0.875 0.000 1.146 468 P CA 0.908 63.033 63.100 -1.626 0.000 0.813 468 P CB -0.042 30.802 31.700 -1.428 0.000 0.778 469 L N -2.325 118.600 121.223 -0.496 0.000 2.349 469 L HA -0.104 4.236 4.340 0.001 0.000 0.220 469 L C 2.013 178.868 176.870 -0.024 0.000 1.130 469 L CA 1.317 56.028 54.840 -0.216 0.000 0.791 469 L CB -0.543 41.256 42.059 -0.433 0.000 0.918 469 L HN 0.089 nan 8.230 nan 0.000 0.444 470 M N -2.858 116.710 119.600 -0.052 0.000 2.313 470 M HA 0.047 4.527 4.480 0.001 0.000 0.273 470 M C 1.308 177.704 176.300 0.161 0.000 1.049 470 M CA -0.180 55.202 55.300 0.136 0.000 1.004 470 M CB 0.451 33.129 32.600 0.129 0.000 1.461 470 M HN 0.013 nan 8.290 nan 0.000 0.514 471 Y N 0.644 120.888 120.300 -0.094 0.000 2.081 471 Y HA -0.234 4.317 4.550 0.001 0.000 0.280 471 Y C 2.670 178.344 175.900 -0.375 0.000 1.163 471 Y CA 1.452 59.392 58.100 -0.266 0.000 1.135 471 Y CB -1.316 37.006 38.460 -0.230 0.000 0.970 471 Y HN 0.221 nan 8.280 nan 0.000 0.498 472 S N 0.019 115.744 115.700 0.041 0.000 2.383 472 S HA -0.131 4.340 4.470 0.001 0.000 0.227 472 S C 2.122 176.782 174.600 0.101 0.000 1.026 472 S CA 1.000 59.239 58.200 0.066 0.000 0.981 472 S CB -0.732 62.548 63.200 0.133 0.000 0.818 472 S HN 0.408 nan 8.310 nan 0.000 0.472 473 L N 1.805 123.101 121.223 0.122 0.000 2.079 473 L HA -0.043 4.298 4.340 0.001 0.000 0.210 473 L C 2.071 179.025 176.870 0.140 0.000 1.081 473 L CA 1.605 56.524 54.840 0.132 0.000 0.752 473 L CB -0.514 41.635 42.059 0.149 0.000 0.896 473 L HN 0.116 nan 8.230 nan 0.000 0.433 474 V N -0.452 119.543 119.914 0.134 0.000 2.346 474 V HA -0.243 3.877 4.120 0.001 0.000 0.244 474 V C 2.353 178.667 176.094 0.367 0.000 1.037 474 V CA 1.905 64.321 62.300 0.192 0.000 1.029 474 V CB -0.788 31.139 31.823 0.174 0.000 0.663 474 V HN 0.611 nan 8.190 nan 0.000 0.454 475 H N 0.322 119.581 119.070 0.316 0.000 2.289 475 H HA -0.193 4.363 4.556 0.001 0.000 0.296 475 H C 2.354 177.764 175.328 0.137 0.000 1.091 475 H CA 1.682 57.917 56.048 0.312 0.000 1.274 475 H CB -0.055 29.828 29.762 0.202 0.000 1.364 475 H HN 0.385 nan 8.280 nan 0.000 0.490 476 N N 0.756 119.584 118.700 0.214 0.000 2.069 476 N HA -0.137 4.603 4.740 0.001 0.000 0.191 476 N C 1.993 177.573 175.510 0.118 0.000 1.031 476 N CA 0.783 53.898 53.050 0.108 0.000 0.852 476 N CB -0.546 37.996 38.487 0.091 0.000 1.018 476 N HN 0.199 nan 8.380 nan 0.000 0.423 477 L N 1.061 122.372 121.223 0.148 0.000 2.083 477 L HA -0.104 4.236 4.340 0.001 0.000 0.209 477 L C 2.047 178.998 176.870 0.135 0.000 1.083 477 L CA 1.810 56.725 54.840 0.124 0.000 0.752 477 L CB -1.195 40.937 42.059 0.121 0.000 0.899 477 L HN 0.361 nan 8.230 nan 0.000 0.433 478 T N -4.412 110.268 114.554 0.211 0.000 3.085 478 T HA -0.096 4.254 4.350 0.001 0.000 0.263 478 T C 1.778 176.622 174.700 0.240 0.000 1.127 478 T CA 0.882 63.126 62.100 0.240 0.000 1.103 478 T CB -0.363 68.729 68.868 0.373 0.000 0.921 478 T HN 0.338 nan 8.240 nan 0.000 0.510 479 K N 0.639 121.142 120.400 0.172 0.000 2.366 479 K HA 0.094 4.415 4.320 0.001 0.000 0.198 479 K C 1.793 178.431 176.600 0.064 0.000 1.044 479 K CA 0.577 56.915 56.287 0.084 0.000 0.973 479 K CB 0.215 32.675 32.500 -0.066 0.000 0.767 479 K HN 0.290 nan 8.250 nan 0.000 0.475 480 E N 0.405 120.642 120.200 0.062 0.000 2.463 480 E HA 0.116 4.466 4.350 0.001 0.000 0.193 480 E C -0.147 176.474 176.600 0.035 0.000 1.041 480 E CA 0.205 56.627 56.400 0.037 0.000 0.879 480 E CB 0.416 30.131 29.700 0.024 0.000 0.997 480 E HN 0.238 nan 8.360 nan 0.000 0.478 481 L N 0.907 122.165 121.223 0.058 0.000 2.346 481 L HA 0.370 4.710 4.340 0.001 0.000 0.274 481 L C 0.239 177.139 176.870 0.050 0.000 1.007 481 L CA -0.803 54.063 54.840 0.042 0.000 0.818 481 L CB 1.882 43.970 42.059 0.049 0.000 1.284 481 L HN -0.338 nan 8.230 nan 0.000 0.424 482 K N 1.389 121.805 120.400 0.026 0.000 2.322 482 K HA 0.186 4.506 4.320 0.001 0.000 0.283 482 K C 0.022 176.647 176.600 0.041 0.000 1.042 482 K CA -0.170 56.136 56.287 0.032 0.000 0.958 482 K CB 1.368 33.872 32.500 0.007 0.000 0.984 482 K HN 0.480 nan 8.250 nan 0.000 0.473 483 S N 3.209 118.948 115.700 0.066 0.000 2.560 483 S HA 0.096 4.566 4.470 0.001 0.000 0.284 483 S C -1.492 173.140 174.600 0.054 0.000 1.327 483 S CA -1.149 57.091 58.200 0.068 0.000 1.055 483 S CB 0.460 63.701 63.200 0.069 0.000 0.868 483 S HN 0.495 nan 8.310 nan 0.000 0.506 484 P HA 0.295 nan 4.420 nan 0.000 0.274 484 P C -0.886 176.429 177.300 0.025 0.000 1.352 484 P CA -0.242 62.828 63.100 -0.050 0.000 0.947 484 P CB 0.062 31.636 31.700 -0.211 0.000 1.437 485 D N 0.820 121.313 120.400 0.156 0.000 2.389 485 D HA 0.055 4.695 4.640 0.001 0.000 0.247 485 D C 0.295 176.751 176.300 0.260 0.000 1.128 485 D CA 0.212 54.360 54.000 0.246 0.000 0.884 485 D CB 0.522 41.443 40.800 0.201 0.000 1.194 485 D HN -0.043 nan 8.370 nan 0.000 0.441 486 E N 0.544 120.876 120.200 0.219 0.000 2.608 486 E HA 0.323 4.674 4.350 0.001 0.000 0.259 486 E C 1.519 178.234 176.600 0.192 0.000 0.951 486 E CA 0.344 56.841 56.400 0.163 0.000 0.945 486 E CB 0.020 29.803 29.700 0.138 0.000 0.916 486 E HN 0.784 nan 8.360 nan 0.000 0.477 487 G N 1.159 110.006 108.800 0.078 0.000 2.148 487 G HA2 -0.321 3.640 3.960 0.001 0.000 0.254 487 G HA3 -0.321 3.640 3.960 0.001 0.000 0.254 487 G C 0.274 175.011 174.900 -0.270 0.000 0.981 487 G CA 0.277 45.328 45.100 -0.082 0.000 0.670 487 G HN 0.612 nan 8.290 nan 0.000 0.528 488 F N 1.217 121.183 119.950 0.026 0.000 2.837 488 F HA 0.266 4.794 4.527 0.001 0.000 0.328 488 F C 0.888 176.701 175.800 0.021 0.000 1.173 488 F CA -0.374 57.642 58.000 0.026 0.000 1.160 488 F CB 0.473 39.495 39.000 0.035 0.000 1.115 488 F HN 0.195 nan 8.300 nan 0.000 0.512 489 E N 0.177 120.454 120.200 0.129 0.000 2.413 489 E HA 0.221 4.572 4.350 0.001 0.000 0.263 489 E C 1.402 178.039 176.600 0.062 0.000 1.015 489 E CA 0.765 57.212 56.400 0.077 0.000 0.916 489 E CB 0.525 30.246 29.700 0.035 0.000 0.947 489 E HN 0.403 nan 8.360 nan 0.000 0.440 490 G N 1.918 110.749 108.800 0.051 0.000 2.270 490 G HA2 -0.348 3.613 3.960 0.001 0.000 0.268 490 G HA3 -0.348 3.613 3.960 0.001 0.000 0.268 490 G C 0.293 175.237 174.900 0.073 0.000 0.982 490 G CA 0.962 46.089 45.100 0.046 0.000 0.628 490 G HN 0.561 nan 8.290 nan 0.000 0.544 491 K N 0.399 120.872 120.400 0.122 0.000 2.098 491 K HA 0.699 5.019 4.320 0.001 0.000 0.257 491 K C 0.978 177.664 176.600 0.143 0.000 0.999 491 K CA 0.015 56.398 56.287 0.160 0.000 0.924 491 K CB 1.516 34.183 32.500 0.279 0.000 1.028 491 K HN 1.177 nan 8.250 nan 0.000 0.466 492 S N 0.851 116.633 115.700 0.137 0.000 2.592 492 S HA 0.118 4.589 4.470 0.001 0.000 0.271 492 S C 1.240 175.918 174.600 0.131 0.000 1.326 492 S CA -0.561 57.716 58.200 0.129 0.000 1.024 492 S CB 0.436 63.724 63.200 0.147 0.000 0.921 492 S HN 0.560 nan 8.310 nan 0.000 0.527 493 L N 2.244 123.541 121.223 0.125 0.000 2.043 493 L HA -0.094 4.246 4.340 0.001 0.000 0.212 493 L C 2.074 179.059 176.870 0.192 0.000 1.075 493 L CA 2.075 56.986 54.840 0.120 0.000 0.752 493 L CB -1.658 40.467 42.059 0.110 0.000 0.891 493 L HN 0.934 nan 8.230 nan 0.000 0.432 494 Y N 0.707 121.097 120.300 0.151 0.000 2.151 494 Y HA -0.296 4.255 4.550 0.001 0.000 0.284 494 Y C 2.541 178.470 175.900 0.049 0.000 1.166 494 Y CA 3.168 61.373 58.100 0.175 0.000 1.163 494 Y CB -0.542 37.978 38.460 0.101 0.000 0.974 494 Y HN 0.398 nan 8.280 nan 0.000 0.511 495 E N -0.095 120.205 120.200 0.167 0.000 2.047 495 E HA -0.179 4.172 4.350 0.001 0.000 0.191 495 E C 2.242 178.769 176.600 -0.121 0.000 0.987 495 E CA 1.805 58.244 56.400 0.065 0.000 0.799 495 E CB -1.359 28.450 29.700 0.181 0.000 0.752 495 E HN 0.677 nan 8.360 nan 0.000 0.449 496 S N -0.697 114.825 115.700 -0.296 0.000 2.356 496 S HA -0.177 4.293 4.470 0.001 0.000 0.223 496 S C 2.043 176.359 174.600 -0.473 0.000 1.032 496 S CA 1.437 59.099 58.200 -0.896 0.000 1.005 496 S CB -0.748 61.732 63.200 -1.201 0.000 0.867 496 S HN 0.766 nan 8.310 nan 0.000 0.449 497 W N 3.069 124.087 121.300 -0.470 0.000 2.338 497 W HA -0.080 4.581 4.660 0.001 0.000 0.304 497 W C 2.199 178.459 176.519 -0.431 0.000 1.212 497 W CA 1.895 58.978 57.345 -0.437 0.000 1.264 497 W CB -1.236 28.007 29.460 -0.362 0.000 1.142 497 W HN 0.319 nan 8.180 nan 0.000 0.512 498 T N 0.763 114.959 114.554 -0.597 0.000 2.821 498 T HA -0.149 4.201 4.350 0.001 0.000 0.267 498 T C 2.158 176.628 174.700 -0.382 0.000 1.046 498 T CA 2.901 64.581 62.100 -0.701 0.000 1.139 498 T CB -0.604 67.799 68.868 -0.775 0.000 0.871 498 T HN 0.253 nan 8.240 nan 0.000 0.454 499 K N 1.844 122.098 120.400 -0.243 0.000 2.062 499 K HA 0.019 4.340 4.320 0.001 0.000 0.205 499 K C 2.062 178.601 176.600 -0.101 0.000 1.051 499 K CA 1.328 57.555 56.287 -0.101 0.000 0.941 499 K CB -0.576 31.969 32.500 0.076 0.000 0.719 499 K HN 0.406 nan 8.250 nan 0.000 0.440 500 K N -0.391 119.898 120.400 -0.185 0.000 2.305 500 K HA 0.066 4.386 4.320 0.001 0.000 0.199 500 K C 0.680 177.223 176.600 -0.095 0.000 1.047 500 K CA 0.922 57.107 56.287 -0.170 0.000 0.976 500 K CB 0.362 32.561 32.500 -0.503 0.000 0.765 500 K HN 0.226 nan 8.250 nan 0.000 0.474 501 S N 1.471 117.070 115.700 -0.168 0.000 2.359 501 S HA 0.238 4.708 4.470 0.001 0.000 0.148 501 S C -2.827 171.615 174.600 -0.263 0.000 1.610 501 S CA -1.533 56.582 58.200 -0.142 0.000 1.274 501 S CB 0.532 63.705 63.200 -0.045 0.000 1.380 501 S HN -0.083 nan 8.310 nan 0.000 0.380 502 P HA 0.191 nan 4.420 nan 0.000 0.279 502 P C -0.115 177.064 177.300 -0.202 0.000 1.239 502 P CA -0.157 62.802 63.100 -0.235 0.000 0.789 502 P CB 1.112 32.722 31.700 -0.150 0.000 0.933 503 S N 3.449 119.008 115.700 -0.235 0.000 2.537 503 S HA 0.128 4.599 4.470 0.001 0.000 0.286 503 S C -1.255 173.284 174.600 -0.102 0.000 1.299 503 S CA -0.857 57.240 58.200 -0.172 0.000 1.067 503 S CB -0.369 62.724 63.200 -0.179 0.000 0.864 503 S HN 0.276 nan 8.310 nan 0.000 0.494 504 P HA 0.069 nan 4.420 nan 0.000 0.215 504 P C 1.619 178.906 177.300 -0.022 0.000 1.157 504 P CA 1.700 64.780 63.100 -0.033 0.000 0.859 504 P CB -0.322 31.372 31.700 -0.011 0.000 0.786 505 E N -0.577 119.613 120.200 -0.017 0.000 2.284 505 E HA 0.060 4.411 4.350 0.001 0.000 0.200 505 E C 0.831 177.426 176.600 -0.009 0.000 1.008 505 E CA 1.413 57.812 56.400 -0.000 0.000 0.829 505 E CB -1.735 nan 29.700 nan 0.000 0.744 505 E HN 0.443 nan 8.360 nan 0.000 0.491 506 F N -4.088 115.841 119.950 -0.035 0.000 2.183 506 F HA 0.377 4.904 4.527 0.001 0.000 0.318 506 F C 1.310 177.083 175.800 -0.046 0.000 1.004 506 F CA 0.285 58.264 58.000 -0.035 0.000 0.912 506 F CB -1.201 nan 39.000 nan 0.000 4.135 506 F HN 0.936 nan 8.300 nan 0.000 0.137 507 S N 0.062 115.734 115.700 -0.047 0.000 3.036 507 S HA 0.673 5.144 4.470 0.001 0.000 0.194 507 S C 2.164 176.724 174.600 -0.067 0.000 0.797 507 S CA 0.640 58.815 58.200 -0.041 0.000 0.822 507 S CB -0.240 nan 63.200 nan 0.000 0.810 507 S HN 2.646 nan 8.310 nan 0.000 0.629 508 G N 2.427 111.189 108.800 -0.063 0.000 3.943 508 G HA2 0.535 4.495 3.960 0.001 0.000 0.275 508 G HA3 0.535 4.495 3.960 0.001 0.000 0.275 508 G C -0.047 174.772 174.900 -0.134 0.000 1.234 508 G CA -0.302 44.749 45.100 -0.081 0.000 1.522 508 G HN 0.383 nan 8.290 nan 0.000 0.636 509 M N 0.513 119.981 119.600 -0.220 0.000 2.572 509 M HA 0.456 4.936 4.480 0.001 0.000 0.299 509 M C -2.911 173.066 176.300 -0.538 0.000 1.205 509 M CA -2.415 52.656 55.300 -0.380 0.000 0.876 509 M CB 2.456 34.873 32.600 -0.304 0.000 1.728 509 M HN -0.167 nan 8.290 nan 0.000 0.458 510 P HA 0.175 nan 4.420 nan 0.000 0.274 510 P C -0.964 175.936 177.300 -0.667 0.000 1.231 510 P CA -0.358 62.077 63.100 -1.109 0.000 0.790 510 P CB 0.891 31.164 31.700 -2.379 0.000 0.951 511 R N 2.710 122.936 120.500 -0.456 0.000 2.489 511 R HA 0.325 4.666 4.340 0.001 0.000 0.287 511 R C -0.597 175.657 176.300 -0.076 0.000 1.053 511 R CA -0.042 55.932 56.100 -0.211 0.000 1.036 511 R CB -0.210 30.019 30.300 -0.118 0.000 0.966 511 R HN 0.481 nan 8.270 nan 0.000 0.432 512 I N 3.021 123.529 120.570 -0.104 0.000 2.498 512 I HA 0.192 4.363 4.170 0.001 0.000 0.290 512 I C -0.269 175.814 176.117 -0.057 0.000 1.032 512 I CA -0.713 60.557 61.300 -0.050 0.000 1.073 512 I CB 2.377 40.231 38.000 -0.243 0.000 1.251 512 I HN 0.659 nan 8.210 nan 0.000 0.426 513 S N 4.770 120.454 115.700 -0.027 0.000 2.713 513 S HA 0.443 4.913 4.470 0.001 0.000 0.283 513 S C -0.107 174.464 174.600 -0.049 0.000 1.161 513 S CA -0.939 57.250 58.200 -0.019 0.000 0.999 513 S CB 1.274 64.462 63.200 -0.019 0.000 1.039 513 S HN 0.408 nan 8.310 nan 0.000 0.548 514 K N 0.751 121.126 120.400 -0.041 0.000 2.219 514 K HA 0.284 4.604 4.320 0.001 0.000 0.258 514 K C -0.680 175.767 176.600 -0.256 0.000 1.008 514 K CA -0.158 56.030 56.287 -0.165 0.000 0.928 514 K CB 0.299 32.768 32.500 -0.051 0.000 0.983 514 K HN 0.414 nan 8.250 nan 0.000 0.484 515 L N 1.708 122.652 121.223 -0.465 0.000 2.276 515 L HA 0.192 4.533 4.340 0.001 0.000 0.286 515 L C 1.004 177.802 176.870 -0.120 0.000 1.061 515 L CA -0.168 54.422 54.840 -0.416 0.000 0.807 515 L CB 1.321 42.904 42.059 -0.794 0.000 1.177 515 L HN 0.866 nan 8.230 nan 0.000 0.429 516 G N 1.358 110.191 108.800 0.055 0.000 3.387 516 G HA2 0.437 4.398 3.960 0.001 0.000 0.195 516 G HA3 0.437 4.398 3.960 0.001 0.000 0.195 516 G C -0.152 174.866 174.900 0.196 0.000 1.853 516 G CA 0.297 45.433 45.100 0.060 0.000 0.879 516 G HN 0.543 nan 8.290 nan 0.000 0.651 517 S N -3.666 112.089 115.700 0.092 0.000 3.341 517 S HA 0.509 4.980 4.470 0.001 0.000 0.326 517 S C 0.625 175.183 174.600 -0.071 0.000 1.178 517 S CA 0.823 58.962 58.200 -0.101 0.000 1.002 517 S CB 0.623 63.700 63.200 -0.206 0.000 1.385 517 S HN 2.234 nan 8.310 nan 0.000 0.710 518 G N 1.212 109.886 108.800 -0.211 0.000 2.141 518 G HA2 -0.136 3.825 3.960 0.001 0.000 0.242 518 G HA3 -0.136 3.825 3.960 0.001 0.000 0.242 518 G C -0.167 174.729 174.900 -0.007 0.000 0.982 518 G CA 0.416 45.491 45.100 -0.041 0.000 0.662 518 G HN 0.754 nan 8.290 nan 0.000 0.527 519 N N -1.174 117.385 118.700 -0.235 0.000 3.020 519 N HA 0.200 4.941 4.740 0.001 0.000 0.248 519 N C -0.468 174.835 175.510 -0.344 0.000 1.480 519 N CA -0.387 52.583 53.050 -0.134 0.000 0.874 519 N CB 0.829 39.425 38.487 0.181 0.000 1.433 519 N HN -0.138 nan 8.380 nan 0.000 0.530 520 D N 0.477 120.861 120.400 -0.027 0.000 2.392 520 D HA -0.043 4.597 4.640 0.001 0.000 0.228 520 D C 1.524 177.820 176.300 -0.006 0.000 1.003 520 D CA 0.700 54.677 54.000 -0.037 0.000 0.917 520 D CB -0.098 40.788 40.800 0.143 0.000 0.890 520 D HN 0.454 nan 8.370 nan 0.000 0.532 521 F N 0.417 120.476 119.950 0.182 0.000 2.661 521 F HA 0.163 4.691 4.527 0.001 0.000 0.298 521 F C 1.904 177.779 175.800 0.125 0.000 1.137 521 F CA 0.019 58.100 58.000 0.134 0.000 1.454 521 F CB -0.540 38.624 39.000 0.275 0.000 1.103 521 F HN -0.174 nan 8.300 nan 0.000 0.577 522 E N 1.165 121.070 120.200 -0.491 0.000 2.049 522 E HA -0.244 4.107 4.350 0.001 0.000 0.198 522 E C 2.334 178.889 176.600 -0.075 0.000 1.007 522 E CA 1.936 58.175 56.400 -0.269 0.000 0.809 522 E CB -0.391 29.102 29.700 -0.345 0.000 0.749 522 E HN 0.363 nan 8.360 nan 0.000 0.450 523 V N 0.122 119.873 119.914 -0.272 0.000 2.427 523 V HA -0.226 3.895 4.120 0.001 0.000 0.248 523 V C 1.910 177.811 176.094 -0.321 0.000 1.051 523 V CA 1.799 63.872 62.300 -0.379 0.000 1.048 523 V CB -0.523 30.917 31.823 -0.638 0.000 0.666 523 V HN 0.296 nan 8.190 nan 0.000 0.456 524 F N -0.654 119.262 119.950 -0.056 0.000 2.102 524 F HA -0.106 4.422 4.527 0.001 0.000 0.298 524 F C 2.053 177.990 175.800 0.227 0.000 1.105 524 F CA 2.378 60.409 58.000 0.052 0.000 1.239 524 F CB -0.896 38.045 39.000 -0.099 0.000 0.991 524 F HN 0.278 nan 8.300 nan 0.000 0.474 525 F N 0.734 120.851 119.950 0.278 0.000 2.164 525 F HA -0.041 4.487 4.527 0.001 0.000 0.287 525 F C 2.427 178.371 175.800 0.240 0.000 1.086 525 F CA 1.241 59.398 58.000 0.261 0.000 1.249 525 F CB -0.679 38.473 39.000 0.254 0.000 1.059 525 F HN -0.187 nan 8.300 nan 0.000 0.490 526 Q N 0.015 119.926 119.800 0.185 0.000 2.187 526 Q HA -0.090 4.251 4.340 0.001 0.000 0.199 526 Q C 2.265 178.348 176.000 0.138 0.000 0.957 526 Q CA 1.098 56.959 55.803 0.096 0.000 0.857 526 Q CB -0.313 28.508 28.738 0.137 0.000 0.929 526 Q HN 0.449 nan 8.270 nan 0.000 0.453 527 R N 0.189 120.754 120.500 0.108 0.000 2.103 527 R HA 0.146 4.487 4.340 0.001 0.000 0.212 527 R C 1.943 178.271 176.300 0.046 0.000 1.107 527 R CA 0.243 56.389 56.100 0.077 0.000 1.025 527 R CB 0.320 30.628 30.300 0.014 0.000 0.929 527 R HN 0.146 nan 8.270 nan 0.000 0.456 528 L N -0.410 120.841 121.223 0.048 0.000 2.554 528 L HA 0.326 4.667 4.340 0.001 0.000 0.225 528 L C 0.804 177.743 176.870 0.115 0.000 1.104 528 L CA 0.406 55.287 54.840 0.070 0.000 0.866 528 L CB 0.618 42.721 42.059 0.074 0.000 1.047 528 L HN 0.506 nan 8.230 nan 0.000 0.468 529 G N 1.887 110.759 108.800 0.120 0.000 2.273 529 G HA2 -0.280 3.680 3.960 0.001 0.000 0.280 529 G HA3 -0.280 3.680 3.960 0.001 0.000 0.280 529 G C 0.015 175.053 174.900 0.231 0.000 1.047 529 G CA -0.001 45.178 45.100 0.132 0.000 0.869 529 G HN 0.306 nan 8.290 nan 0.000 0.502 530 I N 0.828 121.597 120.570 0.331 0.000 2.353 530 I HA 0.530 4.701 4.170 0.001 0.000 0.293 530 I C 1.117 177.516 176.117 0.471 0.000 0.992 530 I CA -0.633 60.889 61.300 0.371 0.000 1.268 530 I CB 1.639 39.891 38.000 0.421 0.000 1.387 530 I HN 0.342 nan 8.210 nan 0.000 0.478 531 A N 5.176 128.201 122.820 0.341 0.000 2.548 531 A HA 0.343 4.664 4.320 0.001 0.000 0.247 531 A C 0.065 177.805 177.584 0.260 0.000 1.067 531 A CA 0.404 52.598 52.037 0.262 0.000 0.757 531 A CB -0.064 18.883 19.000 -0.088 0.000 0.996 531 A HN 0.693 nan 8.150 nan 0.000 0.504 532 S N 0.494 116.256 115.700 0.103 0.000 2.548 532 S HA 0.860 5.330 4.470 0.001 0.000 0.286 532 S C 0.141 174.626 174.600 -0.191 0.000 1.098 532 S CA -0.028 58.191 58.200 0.031 0.000 0.930 532 S CB 2.164 65.411 63.200 0.079 0.000 1.070 532 S HN 1.446 nan 8.310 nan 0.000 0.480 533 G N 1.054 109.793 108.800 -0.103 0.000 2.695 533 G HA2 0.806 4.767 3.960 0.001 0.000 0.290 533 G HA3 0.806 4.767 3.960 0.001 0.000 0.290 533 G C -1.626 173.185 174.900 -0.148 0.000 1.410 533 G CA -0.949 44.046 45.100 -0.175 0.000 0.844 533 G HN 0.779 nan 8.290 nan 0.000 0.478 534 R N -1.154 119.243 120.500 -0.172 0.000 2.710 534 R HA 0.838 5.178 4.340 0.001 0.000 0.270 534 R C -1.496 174.738 176.300 -0.111 0.000 1.021 534 R CA -0.922 55.114 56.100 -0.106 0.000 0.889 534 R CB 1.766 32.006 30.300 -0.100 0.000 1.243 534 R HN 1.385 nan 8.270 nan 0.000 0.464 535 A N 2.170 124.941 122.820 -0.082 0.000 2.488 535 A HA 0.781 5.101 4.320 0.001 0.000 0.298 535 A C -1.240 176.289 177.584 -0.092 0.000 1.044 535 A CA -0.915 51.047 52.037 -0.127 0.000 0.693 535 A CB 1.732 20.651 19.000 -0.136 0.000 1.272 535 A HN 0.933 nan 8.150 nan 0.000 0.402 536 R N 1.005 121.423 120.500 -0.136 0.000 2.716 536 R HA 0.396 4.736 4.340 0.001 0.000 0.271 536 R C -2.044 174.178 176.300 -0.129 0.000 1.028 536 R CA -0.676 55.374 56.100 -0.083 0.000 0.883 536 R CB 0.436 30.703 30.300 -0.055 0.000 1.250 536 R HN 0.529 nan 8.270 nan 0.000 0.465 537 Y N 0.241 120.428 120.300 -0.189 0.000 2.319 537 Y HA 0.413 4.964 4.550 0.001 0.000 0.328 537 Y C 0.869 176.656 175.900 -0.187 0.000 1.133 537 Y CA 1.044 59.015 58.100 -0.215 0.000 1.265 537 Y CB 1.641 39.949 38.460 -0.254 0.000 1.218 537 Y HN 0.766 nan 8.280 nan 0.000 0.508 538 T N 3.170 117.614 114.554 -0.182 0.000 2.716 538 T HA 0.484 4.835 4.350 0.001 0.000 0.286 538 T C -0.984 173.685 174.700 -0.050 0.000 1.052 538 T CA -1.013 61.021 62.100 -0.110 0.000 1.024 538 T CB 0.961 69.750 68.868 -0.133 0.000 1.349 538 T HN 0.625 nan 8.240 nan 0.000 0.525 539 K N 1.484 121.861 120.400 -0.038 0.000 2.177 539 K HA 0.494 4.814 4.320 0.001 0.000 0.238 539 K C 0.281 176.861 176.600 -0.032 0.000 1.015 539 K CA -0.890 55.374 56.287 -0.038 0.000 0.922 539 K CB 0.544 32.985 32.500 -0.098 0.000 1.127 539 K HN 0.489 nan 8.250 nan 0.000 0.469 547 S N 0.007 115.719 115.700 0.020 0.000 2.468 547 S HA 0.583 5.054 4.470 0.001 0.000 0.226 547 S C 0.977 175.555 174.600 -0.037 0.000 1.051 547 S CA 0.745 58.955 58.200 0.018 0.000 0.943 547 S CB 0.949 64.059 63.200 -0.149 0.000 0.810 547 S HN 0.611 nan 8.310 nan 0.000 0.509 548 G N 0.620 109.290 108.800 -0.217 0.000 2.331 548 G HA2 0.105 4.065 3.960 0.001 0.000 0.402 548 G HA3 0.105 4.065 3.960 0.001 0.000 0.402 548 G C -1.210 173.599 174.900 -0.152 0.000 1.275 548 G CA -0.643 44.185 45.100 -0.452 0.000 1.003 548 G HN 0.362 nan 8.290 nan 0.000 0.500 549 Y N -1.682 118.628 120.300 0.017 0.000 2.432 549 Y HA 0.736 5.287 4.550 0.001 0.000 0.322 549 Y C -1.333 174.767 175.900 0.332 0.000 1.246 549 Y CA -2.007 56.188 58.100 0.160 0.000 1.268 549 Y CB 0.345 38.899 38.460 0.156 0.000 1.276 549 Y HN 0.317 nan 8.280 nan 0.000 0.499 550 P HA -0.165 nan 4.420 nan 0.000 0.216 550 P C 0.855 178.370 177.300 0.358 0.000 1.150 550 P CA 1.658 65.052 63.100 0.490 0.000 0.843 550 P CB 0.183 32.145 31.700 0.437 0.000 0.787 551 L N -3.096 118.384 121.223 0.428 0.000 2.629 551 L HA 0.102 4.442 4.340 0.001 0.000 0.230 551 L C 0.674 177.679 176.870 0.225 0.000 1.151 551 L CA -0.708 54.337 54.840 0.341 0.000 0.924 551 L CB -0.834 41.457 42.059 0.387 0.000 1.137 551 L HN -0.030 nan 8.230 nan 0.000 0.457 552 Y N 1.685 121.819 120.300 -0.278 0.000 2.804 552 Y HA -0.169 4.382 4.550 0.001 0.000 0.338 552 Y C 1.140 176.957 175.900 -0.138 0.000 1.252 552 Y CA 0.421 58.209 58.100 -0.520 0.000 1.576 552 Y CB -0.669 37.173 38.460 -1.030 0.000 1.223 552 Y HN 0.239 nan 8.280 nan 0.000 0.536 553 H N 1.896 120.757 119.070 -0.348 0.000 3.080 553 H HA -0.208 4.348 4.556 0.001 0.000 0.254 553 H C 0.305 175.488 175.328 -0.242 0.000 1.179 553 H CA 0.315 56.146 56.048 -0.361 0.000 1.144 553 H CB -1.270 28.040 29.762 -0.753 0.000 1.261 553 H HN 0.616 nan 8.280 nan 0.000 0.333 554 S N -0.732 114.957 115.700 -0.019 0.000 2.747 554 S HA 0.421 4.891 4.470 0.001 0.000 0.300 554 S C 1.120 175.665 174.600 -0.092 0.000 1.121 554 S CA -0.288 57.874 58.200 -0.064 0.000 0.995 554 S CB 2.257 65.456 63.200 -0.001 0.000 1.113 554 S HN 0.067 nan 8.310 nan 0.000 0.547 555 V N 1.009 120.763 119.914 -0.267 0.000 2.720 555 V HA -0.086 4.034 4.120 0.001 0.000 0.256 555 V C 1.207 177.114 176.094 -0.312 0.000 1.082 555 V CA 1.539 63.667 62.300 -0.286 0.000 1.101 555 V CB -1.204 30.394 31.823 -0.375 0.000 0.693 555 V HN 0.859 nan 8.190 nan 0.000 0.479 556 Y N 0.161 120.458 120.300 -0.005 0.000 2.578 556 Y HA 0.196 4.747 4.550 0.001 0.000 0.297 556 Y C 1.449 177.152 175.900 -0.328 0.000 1.176 556 Y CA -0.223 57.731 58.100 -0.243 0.000 1.315 556 Y CB -0.383 37.921 38.460 -0.260 0.000 1.031 556 Y HN 0.301 nan 8.280 nan 0.000 0.524 557 E N 1.995 122.207 120.200 0.021 0.000 1.858 557 E HA 0.090 4.440 4.350 0.001 0.000 0.267 557 E C 0.056 176.719 176.600 0.105 0.000 1.215 557 E CA 0.016 56.473 56.400 0.094 0.000 0.952 557 E CB 0.127 29.947 29.700 0.199 0.000 1.058 557 E HN 0.322 nan 8.360 nan 0.000 0.407 558 T N -0.842 113.748 114.554 0.059 0.000 2.864 558 T HA 0.108 4.458 4.350 0.001 0.000 0.289 558 T C 0.724 175.551 174.700 0.210 0.000 1.082 558 T CA -0.785 61.379 62.100 0.108 0.000 1.009 558 T CB 0.590 69.475 68.868 0.029 0.000 1.234 558 T HN 0.358 nan 8.240 nan 0.000 0.526 559 Y N 1.203 121.605 120.300 0.169 0.000 2.165 559 Y HA -0.112 4.438 4.550 0.001 0.000 0.286 559 Y C 2.227 178.284 175.900 0.262 0.000 1.155 559 Y CA 2.209 60.442 58.100 0.222 0.000 1.164 559 Y CB -0.426 38.162 38.460 0.213 0.000 0.978 559 Y HN 0.771 nan 8.280 nan 0.000 0.513 560 E N 0.208 120.577 120.200 0.282 0.000 2.110 560 E HA -0.188 4.163 4.350 0.001 0.000 0.193 560 E C 2.013 178.760 176.600 0.246 0.000 0.988 560 E CA 1.198 57.739 56.400 0.234 0.000 0.804 560 E CB -0.661 29.290 29.700 0.418 0.000 0.745 560 E HN 0.511 nan 8.360 nan 0.000 0.458 561 L N 0.033 121.488 121.223 0.386 0.000 2.081 561 L HA -0.182 4.159 4.340 0.001 0.000 0.212 561 L C 1.877 178.978 176.870 0.385 0.000 1.080 561 L CA 1.563 56.722 54.840 0.531 0.000 0.754 561 L CB -0.293 41.943 42.059 0.295 0.000 0.893 561 L HN 0.036 nan 8.230 nan 0.000 0.433 562 V N -0.778 119.189 119.914 0.087 0.000 2.331 562 V HA -0.157 3.963 4.120 0.001 0.000 0.242 562 V C 2.518 178.525 176.094 -0.145 0.000 1.034 562 V CA 1.592 63.881 62.300 -0.019 0.000 1.027 562 V CB -0.605 31.148 31.823 -0.118 0.000 0.667 562 V HN 0.485 nan 8.190 nan 0.000 0.457 563 E N 0.499 120.523 120.200 -0.294 0.000 2.097 563 E HA -0.280 4.070 4.350 0.001 0.000 0.196 563 E C 2.224 178.719 176.600 -0.176 0.000 1.000 563 E CA 1.684 57.946 56.400 -0.230 0.000 0.804 563 E CB 0.039 29.569 29.700 -0.284 0.000 0.740 563 E HN 0.573 nan 8.360 nan 0.000 0.454 564 K N -1.012 119.236 120.400 -0.254 0.000 2.067 564 K HA -0.042 4.278 4.320 0.001 0.000 0.203 564 K C 1.784 178.063 176.600 -0.535 0.000 1.048 564 K CA 1.175 57.147 56.287 -0.524 0.000 0.954 564 K CB 0.049 31.938 32.500 -1.018 0.000 0.737 564 K HN 0.100 nan 8.250 nan 0.000 0.444 565 F N -2.015 118.014 119.950 0.131 0.000 2.694 565 F HA 0.178 4.706 4.527 0.001 0.000 0.292 565 F C 1.519 177.224 175.800 -0.158 0.000 1.121 565 F CA -0.042 57.998 58.000 0.067 0.000 1.352 565 F CB -0.014 39.122 39.000 0.226 0.000 1.107 565 F HN -0.083 nan 8.300 nan 0.000 0.597 566 Y N -0.583 119.719 120.300 0.002 0.000 2.314 566 Y HA 0.157 4.707 4.550 0.001 0.000 0.294 566 Y C 0.465 176.320 175.900 -0.076 0.000 1.139 566 Y CA 0.627 58.661 58.100 -0.111 0.000 1.162 566 Y CB 0.481 38.850 38.460 -0.151 0.000 1.121 566 Y HN -0.228 nan 8.280 nan 0.000 0.529 567 D N -1.500 118.894 120.400 -0.009 0.000 2.978 567 D HA 0.225 4.865 4.640 0.001 0.000 0.268 567 D C -2.450 173.639 176.300 -0.351 0.000 1.252 567 D CA -1.665 52.270 54.000 -0.108 0.000 0.771 567 D CB 0.652 41.371 40.800 -0.135 0.000 1.361 567 D HN -0.086 nan 8.370 nan 0.000 0.558 568 P HA -0.120 nan 4.420 nan 0.000 0.216 568 P C 1.483 178.801 177.300 0.030 0.000 1.153 568 P CA 1.076 64.133 63.100 -0.071 0.000 0.858 568 P CB 0.169 31.845 31.700 -0.041 0.000 0.789 569 M N -3.280 116.307 119.600 -0.022 0.000 2.595 569 M HA 0.161 4.642 4.480 0.001 0.000 0.248 569 M C 0.401 176.787 176.300 0.143 0.000 1.119 569 M CA 0.026 55.345 55.300 0.031 0.000 1.079 569 M CB -1.435 31.119 32.600 -0.077 0.000 1.472 569 M HN -0.082 nan 8.290 nan 0.000 0.501 570 F N 0.713 120.592 119.950 -0.118 0.000 3.084 570 F HA -0.369 4.159 4.527 0.001 0.000 0.286 570 F C 1.425 177.161 175.800 -0.105 0.000 0.855 570 F CA 1.119 59.053 58.000 -0.111 0.000 1.091 570 F CB -1.772 37.118 39.000 -0.184 0.000 1.177 570 F HN 0.326 nan 8.300 nan 0.000 0.542 571 K N -1.466 118.836 120.400 -0.164 0.000 2.243 571 K HA -0.041 4.280 4.320 0.001 0.000 0.201 571 K C 1.354 177.736 176.600 -0.363 0.000 1.051 571 K CA 1.323 57.442 56.287 -0.281 0.000 0.970 571 K CB -0.302 31.950 32.500 -0.413 0.000 0.755 571 K HN 0.363 nan 8.250 nan 0.000 0.465 572 Y N 1.465 121.651 120.300 -0.189 0.000 2.263 572 Y HA -0.053 4.497 4.550 0.001 0.000 0.292 572 Y C 2.120 177.896 175.900 -0.206 0.000 1.130 572 Y CA 1.174 59.038 58.100 -0.394 0.000 1.179 572 Y CB -0.764 37.370 38.460 -0.543 0.000 0.998 572 Y HN 0.158 nan 8.280 nan 0.000 0.532 573 H N -0.886 118.179 119.070 -0.009 0.000 2.352 573 H HA -0.166 4.391 4.556 0.001 0.000 0.299 573 H C 2.111 177.466 175.328 0.045 0.000 1.097 573 H CA 1.772 57.856 56.048 0.061 0.000 1.311 573 H CB -0.557 29.312 29.762 0.177 0.000 1.377 573 H HN 0.210 nan 8.280 nan 0.000 0.504 574 L N 0.016 121.322 121.223 0.138 0.000 2.017 574 L HA -0.177 4.163 4.340 0.001 0.000 0.208 574 L C 2.152 179.023 176.870 0.000 0.000 1.073 574 L CA 1.923 56.787 54.840 0.041 0.000 0.745 574 L CB -0.902 41.149 42.059 -0.014 0.000 0.894 574 L HN 0.228 nan 8.230 nan 0.000 0.432 575 T N -1.114 113.423 114.554 -0.029 0.000 2.665 575 T HA -0.209 4.141 4.350 0.001 0.000 0.268 575 T C 1.933 176.652 174.700 0.032 0.000 1.035 575 T CA 1.855 63.950 62.100 -0.008 0.000 1.151 575 T CB -0.483 68.377 68.868 -0.014 0.000 0.862 575 T HN 0.213 nan 8.240 nan 0.000 0.438 576 V N 1.534 121.476 119.914 0.045 0.000 2.407 576 V HA -0.131 3.990 4.120 0.001 0.000 0.248 576 V C 2.812 178.943 176.094 0.061 0.000 1.055 576 V CA 1.545 63.878 62.300 0.054 0.000 1.049 576 V CB -1.105 30.741 31.823 0.038 0.000 0.662 576 V HN 0.541 nan 8.190 nan 0.000 0.455 577 A N -0.941 121.922 122.820 0.072 0.000 2.015 577 A HA -0.224 4.096 4.320 0.001 0.000 0.219 577 A C 2.170 179.800 177.584 0.076 0.000 1.163 577 A CA 1.515 53.605 52.037 0.088 0.000 0.646 577 A CB -0.315 18.736 19.000 0.084 0.000 0.806 577 A HN 0.637 nan 8.150 nan 0.000 0.448 578 Q N -0.681 119.142 119.800 0.038 0.000 2.096 578 Q HA -0.055 4.285 4.340 0.001 0.000 0.197 578 Q C 2.116 178.168 176.000 0.086 0.000 0.964 578 Q CA 1.374 57.200 55.803 0.037 0.000 0.838 578 Q CB -0.259 28.473 28.738 -0.010 0.000 0.906 578 Q HN 0.468 nan 8.270 nan 0.000 0.444 579 V N 1.160 121.109 119.914 0.059 0.000 2.295 579 V HA -0.288 3.832 4.120 0.001 0.000 0.246 579 V C 2.194 178.333 176.094 0.076 0.000 1.049 579 V CA 1.948 64.276 62.300 0.046 0.000 1.024 579 V CB -0.465 31.348 31.823 -0.016 0.000 0.648 579 V HN 0.283 nan 8.190 nan 0.000 0.447 580 R N 0.032 120.584 120.500 0.088 0.000 2.066 580 R HA -0.051 4.289 4.340 0.001 0.000 0.232 580 R C 2.502 178.908 176.300 0.177 0.000 1.131 580 R CA 1.442 57.604 56.100 0.104 0.000 0.955 580 R CB -0.886 29.473 30.300 0.098 0.000 0.851 580 R HN 0.573 nan 8.270 nan 0.000 0.432 581 G N 0.028 108.988 108.800 0.267 0.000 2.408 581 G HA2 -0.197 3.764 3.960 0.001 0.000 0.217 581 G HA3 -0.197 3.764 3.960 0.001 0.000 0.217 581 G C 1.485 176.611 174.900 0.377 0.000 1.150 581 G CA 0.777 46.144 45.100 0.444 0.000 0.776 581 G HN 0.451 nan 8.290 nan 0.000 0.542 582 G N 0.709 109.700 108.800 0.319 0.000 2.402 582 G HA2 -0.172 3.789 3.960 0.001 0.000 0.216 582 G HA3 -0.172 3.789 3.960 0.001 0.000 0.216 582 G C 1.885 176.912 174.900 0.212 0.000 1.162 582 G CA 0.933 46.176 45.100 0.238 0.000 0.777 582 G HN 0.400 nan 8.290 nan 0.000 0.539 583 M N -0.037 119.660 119.600 0.162 0.000 2.080 583 M HA -0.096 4.384 4.480 0.001 0.000 0.260 583 M C 2.695 179.069 176.300 0.123 0.000 1.068 583 M CA 1.148 56.524 55.300 0.127 0.000 1.109 583 M CB -0.407 32.247 32.600 0.090 0.000 1.342 583 M HN 0.115 nan 8.290 nan 0.000 0.405 584 V N -0.222 119.770 119.914 0.130 0.000 2.343 584 V HA -0.274 3.846 4.120 0.001 0.000 0.247 584 V C 2.087 178.225 176.094 0.074 0.000 1.051 584 V CA 1.901 64.241 62.300 0.067 0.000 1.036 584 V CB -0.717 31.151 31.823 0.074 0.000 0.654 584 V HN 0.382 nan 8.190 nan 0.000 0.451 585 F N 0.952 120.942 119.950 0.066 0.000 2.095 585 F HA -0.211 4.317 4.527 0.001 0.000 0.298 585 F C 2.586 178.417 175.800 0.052 0.000 1.104 585 F CA 2.084 60.127 58.000 0.071 0.000 1.232 585 F CB -0.092 38.849 39.000 -0.099 0.000 0.987 585 F HN 0.115 nan 8.300 nan 0.000 0.475 586 E N 0.487 120.875 120.200 0.314 0.000 2.077 586 E HA -0.186 4.164 4.350 0.001 0.000 0.193 586 E C 2.366 178.977 176.600 0.019 0.000 0.989 586 E CA 1.380 57.900 56.400 0.200 0.000 0.800 586 E CB -0.574 29.228 29.700 0.171 0.000 0.746 586 E HN 0.477 nan 8.360 nan 0.000 0.452 587 L N 0.148 121.361 121.223 -0.017 0.000 2.093 587 L HA -0.105 4.236 4.340 0.001 0.000 0.208 587 L C 2.296 179.083 176.870 -0.139 0.000 1.085 587 L CA 1.182 55.964 54.840 -0.097 0.000 0.755 587 L CB -0.289 41.736 42.059 -0.056 0.000 0.904 587 L HN 0.018 nan 8.230 nan 0.000 0.435 588 A N -1.313 121.406 122.820 -0.167 0.000 2.218 588 A HA -0.020 4.301 4.320 0.001 0.000 0.209 588 A C 1.676 179.112 177.584 -0.246 0.000 1.168 588 A CA 1.062 52.963 52.037 -0.226 0.000 0.804 588 A CB -0.248 18.572 19.000 -0.301 0.000 0.834 588 A HN 0.429 nan 8.150 nan 0.000 0.482 589 N N -1.822 116.741 118.700 -0.229 0.000 2.272 589 N HA 0.065 4.805 4.740 0.001 0.000 0.228 589 N C 0.469 175.930 175.510 -0.081 0.000 1.206 589 N CA 0.569 53.495 53.050 -0.207 0.000 0.855 589 N CB 0.604 38.871 38.487 -0.367 0.000 1.248 589 N HN 0.184 nan 8.380 nan 0.000 0.476 590 S N 0.121 115.795 115.700 -0.043 0.000 2.558 590 S HA 0.100 4.571 4.470 0.001 0.000 0.288 590 S C 1.481 176.064 174.600 -0.028 0.000 1.318 590 S CA -0.189 58.010 58.200 -0.002 0.000 1.056 590 S CB 0.217 63.419 63.200 0.004 0.000 0.853 590 S HN 0.218 nan 8.310 nan 0.000 0.505 591 I N 3.886 124.455 120.570 -0.003 0.000 2.333 591 I HA 0.016 4.187 4.170 0.001 0.000 0.246 591 I C 0.340 176.467 176.117 0.016 0.000 1.106 591 I CA 0.583 61.883 61.300 0.001 0.000 1.411 591 I CB 0.110 38.117 38.000 0.011 0.000 1.082 591 I HN 0.405 nan 8.210 nan 0.000 0.420 592 V N 2.561 122.492 119.914 0.029 0.000 2.439 592 V HA 0.189 4.310 4.120 0.001 0.000 0.282 592 V C 0.201 176.275 176.094 -0.032 0.000 1.039 592 V CA -0.774 61.554 62.300 0.045 0.000 0.913 592 V CB 1.426 33.308 31.823 0.098 0.000 0.983 592 V HN 0.084 nan 8.190 nan 0.000 0.460 593 L N 7.306 128.472 121.223 -0.094 0.000 2.540 593 L HA 0.141 4.482 4.340 0.001 0.000 0.276 593 L C -1.599 175.111 176.870 -0.267 0.000 1.212 593 L CA -1.039 53.622 54.840 -0.299 0.000 0.893 593 L CB 0.490 42.268 42.059 -0.469 0.000 1.138 593 L HN 0.522 nan 8.230 nan 0.000 0.491 594 P HA 0.115 nan 4.420 nan 0.000 0.237 594 P C -0.882 176.452 177.300 0.056 0.000 1.723 594 P CA 0.157 63.199 63.100 -0.097 0.000 0.882 594 P CB -0.325 31.346 31.700 -0.048 0.000 1.810 595 F N 0.386 120.401 119.950 0.107 0.000 2.469 595 F HA 0.416 4.944 4.527 0.001 0.000 0.332 595 F C 0.665 176.549 175.800 0.139 0.000 1.103 595 F CA -1.776 56.293 58.000 0.115 0.000 0.979 595 F CB 1.315 40.393 39.000 0.130 0.000 1.137 595 F HN -0.154 nan 8.300 nan 0.000 0.463 596 D N 1.939 122.536 120.400 0.329 0.000 2.461 596 D HA 0.183 4.823 4.640 0.001 0.000 0.240 596 D C 0.968 177.414 176.300 0.243 0.000 1.094 596 D CA -0.322 53.831 54.000 0.256 0.000 0.868 596 D CB 1.096 42.013 40.800 0.195 0.000 1.062 596 D HN 0.665 nan 8.370 nan 0.000 0.530 597 C N 3.157 122.631 119.300 0.290 0.000 2.422 597 C HA 0.043 4.504 4.460 0.001 0.000 0.286 597 C C 2.098 177.304 174.990 0.360 0.000 1.412 597 C CA 0.014 59.228 59.018 0.326 0.000 1.786 597 C CB -0.787 27.085 27.740 0.220 0.000 1.835 597 C HN 0.548 nan 8.230 nan 0.000 0.533 598 R N 1.148 121.812 120.500 0.272 0.000 2.189 598 R HA -0.049 4.292 4.340 0.001 0.000 0.223 598 R C 1.657 178.085 176.300 0.214 0.000 1.092 598 R CA 1.489 57.739 56.100 0.252 0.000 0.989 598 R CB -0.337 30.080 30.300 0.194 0.000 0.876 598 R HN 0.587 nan 8.270 nan 0.000 0.457 599 D N -0.070 120.424 120.400 0.156 0.000 2.144 599 D HA -0.182 4.459 4.640 0.001 0.000 0.199 599 D C 1.466 177.746 176.300 -0.033 0.000 0.984 599 D CA 1.236 55.261 54.000 0.041 0.000 0.834 599 D CB -0.106 40.650 40.800 -0.074 0.000 0.955 599 D HN 0.191 nan 8.370 nan 0.000 0.465 600 Y N 1.502 121.806 120.300 0.007 0.000 2.200 600 Y HA -0.106 4.444 4.550 0.001 0.000 0.290 600 Y C 2.430 178.256 175.900 -0.123 0.000 1.137 600 Y CA 0.800 58.861 58.100 -0.065 0.000 1.163 600 Y CB -0.571 37.924 38.460 0.057 0.000 0.988 600 Y HN -0.078 nan 8.280 nan 0.000 0.518 601 A N -0.742 122.254 122.820 0.293 0.000 1.883 601 A HA -0.189 4.131 4.320 0.001 0.000 0.217 601 A C 2.426 180.073 177.584 0.105 0.000 1.186 601 A CA 2.162 54.345 52.037 0.244 0.000 0.624 601 A CB -1.295 17.961 19.000 0.426 0.000 0.822 601 A HN 0.233 nan 8.150 nan 0.000 0.444 602 V N 0.330 120.300 119.914 0.092 0.000 2.233 602 V HA -0.290 3.830 4.120 0.001 0.000 0.247 602 V C 2.748 178.797 176.094 -0.074 0.000 1.050 602 V CA 2.266 64.590 62.300 0.039 0.000 1.010 602 V CB -1.284 30.582 31.823 0.071 0.000 0.637 602 V HN 0.647 nan 8.190 nan 0.000 0.444 603 V N -1.783 118.022 119.914 -0.182 0.000 2.626 603 V HA -0.151 3.969 4.120 0.001 0.000 0.252 603 V C 2.188 177.834 176.094 -0.748 0.000 1.067 603 V CA 1.592 63.573 62.300 -0.532 0.000 1.081 603 V CB -0.838 30.591 31.823 -0.657 0.000 0.686 603 V HN 0.456 nan 8.190 nan 0.000 0.468 604 L N 0.048 121.060 121.223 -0.351 0.000 2.012 604 L HA -0.151 4.190 4.340 0.001 0.000 0.210 604 L C 2.942 179.813 176.870 0.002 0.000 1.073 604 L CA 2.209 56.943 54.840 -0.177 0.000 0.748 604 L CB -0.643 41.326 42.059 -0.150 0.000 0.891 604 L HN 0.369 nan 8.230 nan 0.000 0.431 605 R N 0.735 121.245 120.500 0.017 0.000 2.083 605 R HA -0.161 4.179 4.340 0.001 0.000 0.237 605 R C 2.364 178.744 176.300 0.135 0.000 1.137 605 R CA 1.968 58.141 56.100 0.122 0.000 0.951 605 R CB -0.646 29.729 30.300 0.125 0.000 0.851 605 R HN -0.017 nan 8.270 nan 0.000 0.434 606 K N -0.610 119.803 120.400 0.022 0.000 2.063 606 K HA -0.129 4.192 4.320 0.001 0.000 0.208 606 K C 2.275 179.009 176.600 0.224 0.000 1.048 606 K CA 1.647 57.977 56.287 0.071 0.000 0.928 606 K CB -0.829 31.649 32.500 -0.036 0.000 0.713 606 K HN 0.398 nan 8.250 nan 0.000 0.442 607 Y N 0.349 120.727 120.300 0.130 0.000 2.242 607 Y HA 0.069 4.619 4.550 0.001 0.000 0.291 607 Y C 2.629 178.729 175.900 0.334 0.000 1.137 607 Y CA 0.134 58.326 58.100 0.154 0.000 1.181 607 Y CB -1.305 37.099 38.460 -0.093 0.000 0.989 607 Y HN 0.200 nan 8.280 nan 0.000 0.527 608 A N 0.227 123.334 122.820 0.479 0.000 1.898 608 A HA -0.151 4.169 4.320 0.001 0.000 0.216 608 A C 1.998 179.699 177.584 0.195 0.000 1.181 608 A CA 1.754 53.902 52.037 0.185 0.000 0.620 608 A CB -0.670 18.241 19.000 -0.149 0.000 0.819 608 A HN 0.326 nan 8.150 nan 0.000 0.442 609 D N -0.151 120.458 120.400 0.348 0.000 2.116 609 D HA -0.154 4.486 4.640 0.001 0.000 0.193 609 D C 2.027 178.507 176.300 0.300 0.000 0.998 609 D CA 1.796 56.017 54.000 0.368 0.000 0.836 609 D CB -0.456 40.508 40.800 0.272 0.000 0.951 609 D HN 0.372 nan 8.370 nan 0.000 0.449 610 K N 0.547 121.112 120.400 0.276 0.000 2.009 610 K HA -0.156 4.165 4.320 0.001 0.000 0.210 610 K C 2.199 178.927 176.600 0.214 0.000 1.049 610 K CA 0.812 57.246 56.287 0.245 0.000 0.929 610 K CB -0.899 31.765 32.500 0.273 0.000 0.714 610 K HN 0.183 nan 8.250 nan 0.000 0.440 611 I N -0.005 120.703 120.570 0.230 0.000 2.439 611 I HA 0.019 4.189 4.170 0.001 0.000 0.251 611 I C 1.995 178.076 176.117 -0.059 0.000 1.139 611 I CA 1.133 62.546 61.300 0.188 0.000 1.438 611 I CB -0.498 37.684 38.000 0.304 0.000 1.085 611 I HN 0.499 nan 8.210 nan 0.000 0.427 612 Y N 0.900 120.985 120.300 -0.358 0.000 2.128 612 Y HA -0.298 4.252 4.550 0.001 0.000 0.284 612 Y C 2.640 178.409 175.900 -0.218 0.000 1.154 612 Y CA 2.150 59.864 58.100 -0.643 0.000 1.149 612 Y CB -0.632 37.645 38.460 -0.304 0.000 0.976 612 Y HN 0.182 nan 8.280 nan 0.000 0.505 613 S N 0.405 116.063 115.700 -0.071 0.000 2.399 613 S HA -0.189 4.281 4.470 0.001 0.000 0.231 613 S C 2.037 176.593 174.600 -0.074 0.000 1.022 613 S CA 1.631 59.783 58.200 -0.080 0.000 0.983 613 S CB -0.518 62.721 63.200 0.065 0.000 0.803 613 S HN 0.498 nan 8.310 nan 0.000 0.480 614 I N 0.877 121.446 120.570 -0.001 0.000 2.252 614 I HA -0.152 4.018 4.170 0.001 0.000 0.245 614 I C 2.639 178.813 176.117 0.096 0.000 1.102 614 I CA 0.953 62.290 61.300 0.061 0.000 1.385 614 I CB -0.310 37.754 38.000 0.107 0.000 1.064 614 I HN 0.260 nan 8.210 nan 0.000 0.414 615 S N 0.394 116.127 115.700 0.055 0.000 2.383 615 S HA -0.120 4.350 4.470 0.001 0.000 0.227 615 S C 2.047 176.756 174.600 0.183 0.000 1.026 615 S CA 1.061 59.413 58.200 0.252 0.000 0.981 615 S CB -0.047 63.367 63.200 0.357 0.000 0.818 615 S HN 0.249 nan 8.310 nan 0.000 0.472 616 M N 1.308 120.819 119.600 -0.148 0.000 2.539 616 M HA -0.002 4.478 4.480 0.001 0.000 0.261 616 M C 1.353 177.601 176.300 -0.088 0.000 1.069 616 M CA 0.919 56.114 55.300 -0.175 0.000 1.081 616 M CB -0.703 31.694 32.600 -0.338 0.000 1.412 616 M HN 0.242 nan 8.290 nan 0.000 0.482 617 K N -0.074 120.276 120.400 -0.084 0.000 2.515 617 K HA -0.064 4.257 4.320 0.001 0.000 0.196 617 K C 0.226 176.532 176.600 -0.490 0.000 1.038 617 K CA 0.785 56.910 56.287 -0.270 0.000 0.967 617 K CB -0.169 32.123 32.500 -0.347 0.000 0.780 617 K HN 0.550 nan 8.250 nan 0.000 0.483 618 H N 0.157 119.259 119.070 0.055 0.000 2.471 618 H HA 0.145 4.702 4.556 0.001 0.000 0.234 618 H C -1.880 173.393 175.328 -0.092 0.000 1.388 618 H CA -1.558 54.509 56.048 0.031 0.000 1.198 618 H CB 0.885 30.759 29.762 0.187 0.000 1.714 618 H HN -0.043 nan 8.280 nan 0.000 0.536 619 P HA -0.229 nan 4.420 nan 0.000 0.216 619 P C 1.789 179.038 177.300 -0.086 0.000 1.153 619 P CA 1.212 64.286 63.100 -0.044 0.000 0.858 619 P CB 0.647 32.325 31.700 -0.037 0.000 0.789 620 Q N 0.802 120.551 119.800 -0.085 0.000 2.050 620 Q HA -0.194 4.147 4.340 0.001 0.000 0.202 620 Q C 2.056 177.926 176.000 -0.217 0.000 0.980 620 Q CA 1.936 57.668 55.803 -0.119 0.000 0.840 620 Q CB -0.844 27.844 28.738 -0.083 0.000 0.898 620 Q HN 0.165 nan 8.270 nan 0.000 0.424 621 E N -0.530 119.498 120.200 -0.286 0.000 2.106 621 E HA -0.109 4.241 4.350 0.001 0.000 0.192 621 E C 1.941 178.187 176.600 -0.590 0.000 0.984 621 E CA 1.402 57.474 56.400 -0.545 0.000 0.806 621 E CB -0.201 28.934 29.700 -0.941 0.000 0.750 621 E HN 0.424 nan 8.360 nan 0.000 0.458 622 M N 0.225 119.544 119.600 -0.468 0.000 2.159 622 M HA -0.186 4.295 4.480 0.001 0.000 0.263 622 M C 1.937 178.153 176.300 -0.140 0.000 1.063 622 M CA 1.460 56.615 55.300 -0.242 0.000 1.110 622 M CB -0.192 32.368 32.600 -0.066 0.000 1.374 622 M HN -0.009 nan 8.290 nan 0.000 0.411 623 K N -0.401 119.905 120.400 -0.157 0.000 2.001 623 K HA -0.080 4.240 4.320 0.001 0.000 0.208 623 K C 1.990 178.476 176.600 -0.190 0.000 1.048 623 K CA 1.805 58.016 56.287 -0.128 0.000 0.932 623 K CB -0.365 32.066 32.500 -0.116 0.000 0.715 623 K HN 0.253 nan 8.250 nan 0.000 0.437 624 T N 0.346 114.706 114.554 -0.324 0.000 2.720 624 T HA -0.158 4.193 4.350 0.001 0.000 0.268 624 T C 1.324 175.687 174.700 -0.561 0.000 1.037 624 T CA 1.483 63.281 62.100 -0.504 0.000 1.144 624 T CB -0.252 68.151 68.868 -0.776 0.000 0.864 624 T HN 0.201 nan 8.240 nan 0.000 0.444 625 Y N 0.979 121.185 120.300 -0.157 0.000 2.457 625 Y HA 0.350 4.900 4.550 0.001 0.000 0.263 625 Y C 1.183 177.055 175.900 -0.048 0.000 1.164 625 Y CA -0.820 57.227 58.100 -0.090 0.000 1.274 625 Y CB -0.290 38.122 38.460 -0.079 0.000 1.097 625 Y HN 0.008 nan 8.280 nan 0.000 0.523 626 S N -0.026 115.688 115.700 0.023 0.000 3.797 626 S HA -0.118 4.352 4.470 0.001 0.000 0.374 626 S C -0.321 174.323 174.600 0.072 0.000 0.970 626 S CA 0.219 58.440 58.200 0.036 0.000 1.177 626 S CB -2.055 61.164 63.200 0.032 0.000 0.891 626 S HN 0.116 nan 8.310 nan 0.000 0.491 627 V N 1.906 121.872 119.914 0.087 0.000 2.372 627 V HA 0.546 4.666 4.120 0.001 0.000 0.261 627 V C 0.605 176.786 176.094 0.145 0.000 1.055 627 V CA -0.077 62.293 62.300 0.117 0.000 0.930 627 V CB 1.438 33.374 31.823 0.188 0.000 1.031 627 V HN 0.626 nan 8.190 nan 0.000 0.479 628 S N 3.931 119.680 115.700 0.083 0.000 2.472 628 S HA 0.601 5.071 4.470 0.001 0.000 0.303 628 S C 0.067 174.705 174.600 0.063 0.000 1.099 628 S CA -0.529 57.766 58.200 0.158 0.000 1.077 628 S CB 0.825 64.097 63.200 0.121 0.000 1.031 628 S HN 0.490 nan 8.310 nan 0.000 0.487 629 F N 2.078 122.183 119.950 0.258 0.000 2.693 629 F HA 0.205 4.732 4.527 0.001 0.000 0.303 629 F C 1.494 177.441 175.800 0.244 0.000 1.097 629 F CA -0.273 57.864 58.000 0.229 0.000 1.330 629 F CB 0.249 39.476 39.000 0.378 0.000 1.067 629 F HN 0.516 nan 8.300 nan 0.000 0.565 630 D N 0.141 120.750 120.400 0.349 0.000 2.133 630 D HA -0.217 4.424 4.640 0.001 0.000 0.195 630 D C 2.429 178.862 176.300 0.221 0.000 0.997 630 D CA 2.015 56.186 54.000 0.284 0.000 0.840 630 D CB -0.499 40.404 40.800 0.172 0.000 0.947 630 D HN 0.274 nan 8.370 nan 0.000 0.452 631 S N 0.136 115.922 115.700 0.143 0.000 2.382 631 S HA -0.148 4.323 4.470 0.001 0.000 0.228 631 S C 1.997 176.648 174.600 0.085 0.000 1.027 631 S CA 0.589 58.856 58.200 0.111 0.000 0.991 631 S CB -0.590 62.670 63.200 0.100 0.000 0.823 631 S HN 0.188 nan 8.310 nan 0.000 0.469 632 L N 0.532 121.768 121.223 0.021 0.000 2.046 632 L HA 0.174 4.514 4.340 0.001 0.000 0.208 632 L C 2.099 178.910 176.870 -0.099 0.000 1.077 632 L CA 1.592 56.370 54.840 -0.103 0.000 0.747 632 L CB -0.993 40.913 42.059 -0.255 0.000 0.896 632 L HN 0.255 nan 8.230 nan 0.000 0.432 633 F N -1.042 118.968 119.950 0.099 0.000 2.186 633 F HA -0.161 4.367 4.527 0.001 0.000 0.299 633 F C 2.930 178.778 175.800 0.080 0.000 1.090 633 F CA 1.474 59.520 58.000 0.078 0.000 1.307 633 F CB -1.172 37.851 39.000 0.039 0.000 1.019 633 F HN 0.178 nan 8.300 nan 0.000 0.489 634 S N 0.093 115.941 115.700 0.248 0.000 2.348 634 S HA -0.200 4.270 4.470 0.001 0.000 0.221 634 S C 2.401 177.091 174.600 0.150 0.000 1.033 634 S CA 1.254 59.557 58.200 0.173 0.000 1.010 634 S CB -0.659 62.625 63.200 0.141 0.000 0.891 634 S HN 0.288 nan 8.310 nan 0.000 0.442 635 A N 0.805 123.703 122.820 0.131 0.000 1.917 635 A HA -0.064 4.257 4.320 0.001 0.000 0.219 635 A C 2.357 180.047 177.584 0.177 0.000 1.182 635 A CA 2.053 54.168 52.037 0.131 0.000 0.633 635 A CB -1.124 17.934 19.000 0.096 0.000 0.819 635 A HN 0.500 nan 8.150 nan 0.000 0.448 636 V N -0.039 119.975 119.914 0.167 0.000 2.427 636 V HA -0.228 3.893 4.120 0.001 0.000 0.248 636 V C 2.478 178.712 176.094 0.233 0.000 1.051 636 V CA 2.228 64.644 62.300 0.195 0.000 1.048 636 V CB -0.625 31.294 31.823 0.160 0.000 0.666 636 V HN 0.674 nan 8.190 nan 0.000 0.456 637 K N 0.504 121.028 120.400 0.207 0.000 2.009 637 K HA -0.229 4.092 4.320 0.001 0.000 0.210 637 K C 2.051 178.749 176.600 0.164 0.000 1.049 637 K CA 1.969 58.361 56.287 0.175 0.000 0.929 637 K CB -0.173 32.417 32.500 0.149 0.000 0.714 637 K HN 0.433 nan 8.250 nan 0.000 0.440 638 N N 0.386 119.179 118.700 0.154 0.000 2.166 638 N HA -0.176 4.564 4.740 0.001 0.000 0.186 638 N C 1.583 177.167 175.510 0.123 0.000 1.019 638 N CA 1.081 54.201 53.050 0.116 0.000 0.856 638 N CB -0.486 38.057 38.487 0.092 0.000 0.993 638 N HN 0.189 nan 8.380 nan 0.000 0.426 639 F N 1.961 121.943 119.950 0.053 0.000 2.069 639 F HA -0.230 4.297 4.527 0.001 0.000 0.298 639 F C 2.223 178.064 175.800 0.068 0.000 1.113 639 F CA 1.542 59.571 58.000 0.049 0.000 1.214 639 F CB -0.545 38.497 39.000 0.071 0.000 0.978 639 F HN -0.017 nan 8.300 nan 0.000 0.474 640 T N 0.009 114.780 114.554 0.360 0.000 2.635 640 T HA -0.265 4.086 4.350 0.001 0.000 0.267 640 T C 1.717 176.497 174.700 0.132 0.000 1.040 640 T CA 1.960 64.209 62.100 0.248 0.000 1.156 640 T CB -0.531 68.460 68.868 0.205 0.000 0.863 640 T HN 0.402 nan 8.240 nan 0.000 0.430 641 E N 0.479 120.739 120.200 0.100 0.000 2.038 641 E HA -0.083 4.267 4.350 0.001 0.000 0.195 641 E C 2.265 178.883 176.600 0.030 0.000 1.000 641 E CA 1.114 57.552 56.400 0.063 0.000 0.803 641 E CB -0.314 29.420 29.700 0.056 0.000 0.750 641 E HN 0.469 nan 8.360 nan 0.000 0.448 642 I N 0.981 121.539 120.570 -0.020 0.000 2.315 642 I HA -0.219 3.951 4.170 0.001 0.000 0.248 642 I C 2.500 178.580 176.117 -0.061 0.000 1.117 642 I CA 0.712 61.975 61.300 -0.062 0.000 1.404 642 I CB -0.205 37.708 38.000 -0.146 0.000 1.071 642 I HN 0.073 nan 8.210 nan 0.000 0.419 643 A N 0.105 122.849 122.820 -0.128 0.000 1.877 643 A HA -0.214 4.106 4.320 0.001 0.000 0.216 643 A C 2.486 180.138 177.584 0.114 0.000 1.186 643 A CA 2.238 54.245 52.037 -0.049 0.000 0.620 643 A CB -0.814 18.173 19.000 -0.021 0.000 0.822 643 A HN 0.369 nan 8.150 nan 0.000 0.443 644 S N -0.207 115.552 115.700 0.098 0.000 2.359 644 S HA -0.211 4.259 4.470 0.001 0.000 0.223 644 S C 1.998 176.654 174.600 0.092 0.000 1.039 644 S CA 2.008 60.268 58.200 0.101 0.000 1.042 644 S CB -0.288 62.961 63.200 0.083 0.000 0.915 644 S HN 0.632 nan 8.310 nan 0.000 0.439 645 K N 0.192 120.640 120.400 0.080 0.000 2.097 645 K HA -0.018 4.303 4.320 0.001 0.000 0.206 645 K C 1.809 178.458 176.600 0.080 0.000 1.049 645 K CA 1.197 57.523 56.287 0.066 0.000 0.933 645 K CB -0.290 32.242 32.500 0.052 0.000 0.717 645 K HN 0.358 nan 8.250 nan 0.000 0.442 646 F N 1.460 121.399 119.950 -0.018 0.000 2.171 646 F HA -0.214 4.313 4.527 0.001 0.000 0.300 646 F C 1.939 177.752 175.800 0.023 0.000 1.090 646 F CA 1.360 59.351 58.000 -0.016 0.000 1.293 646 F CB -0.162 38.809 39.000 -0.049 0.000 1.013 646 F HN -0.098 nan 8.300 nan 0.000 0.486 647 S N 0.451 116.212 115.700 0.100 0.000 2.359 647 S HA -0.257 4.214 4.470 0.001 0.000 0.224 647 S C 1.756 176.334 174.600 -0.036 0.000 1.035 647 S CA 1.698 59.916 58.200 0.029 0.000 1.018 647 S CB -0.593 62.677 63.200 0.117 0.000 0.876 647 S HN 0.531 nan 8.310 nan 0.000 0.448 648 E N 1.110 121.305 120.200 -0.009 0.000 2.065 648 E HA -0.193 4.157 4.350 0.001 0.000 0.201 648 E C 2.377 178.955 176.600 -0.036 0.000 1.016 648 E CA 1.217 57.611 56.400 -0.009 0.000 0.818 648 E CB -0.191 29.513 29.700 0.007 0.000 0.749 648 E HN 0.422 nan 8.360 nan 0.000 0.453 649 R N 0.143 120.586 120.500 -0.095 0.000 2.120 649 R HA -0.124 4.217 4.340 0.001 0.000 0.234 649 R C 2.389 178.654 176.300 -0.059 0.000 1.123 649 R CA 0.664 56.705 56.100 -0.098 0.000 0.975 649 R CB -0.332 29.863 30.300 -0.175 0.000 0.866 649 R HN 0.132 nan 8.270 nan 0.000 0.446 650 L N 1.176 122.282 121.223 -0.196 0.000 2.093 650 L HA -0.189 4.151 4.340 0.001 0.000 0.208 650 L C 2.382 179.341 176.870 0.148 0.000 1.085 650 L CA 1.732 56.538 54.840 -0.055 0.000 0.755 650 L CB -0.449 41.490 42.059 -0.199 0.000 0.904 650 L HN -0.032 nan 8.230 nan 0.000 0.435 651 Q N -1.388 118.437 119.800 0.043 0.000 2.083 651 Q HA -0.120 4.221 4.340 0.001 0.000 0.198 651 Q C 1.397 177.385 176.000 -0.020 0.000 0.969 651 Q CA 1.440 57.248 55.803 0.008 0.000 0.838 651 Q CB -0.592 28.148 28.738 0.004 0.000 0.900 651 Q HN 0.614 nan 8.270 nan 0.000 0.436 652 D N -0.148 120.270 120.400 0.031 0.000 2.352 652 D HA 0.197 4.837 4.640 0.001 0.000 0.236 652 D C -0.219 176.118 176.300 0.062 0.000 1.148 652 D CA -0.085 53.927 54.000 0.021 0.000 0.844 652 D CB -0.321 40.498 40.800 0.032 0.000 0.933 652 D HN 0.474 nan 8.370 nan 0.000 0.507 653 F N -0.436 119.483 119.950 -0.052 0.000 2.593 653 F HA 0.513 5.040 4.527 0.001 0.000 0.320 653 F C -0.642 175.139 175.800 -0.033 0.000 1.060 653 F CA -1.761 56.213 58.000 -0.044 0.000 0.940 653 F CB 1.152 40.118 39.000 -0.058 0.000 1.268 653 F HN -0.255 nan 8.300 nan 0.000 0.475 654 D N 1.222 121.597 120.400 -0.042 0.000 2.232 654 D HA 0.245 4.886 4.640 0.001 0.000 0.242 654 D C 0.136 176.348 176.300 -0.146 0.000 1.093 654 D CA -0.604 53.274 54.000 -0.203 0.000 0.845 654 D CB 1.957 42.714 40.800 -0.072 0.000 1.124 654 D HN 0.679 nan 8.370 nan 0.000 0.467 655 K N 1.650 121.853 120.400 -0.329 0.000 2.515 655 K HA -0.020 4.301 4.320 0.001 0.000 0.196 655 K C 1.459 178.050 176.600 -0.014 0.000 1.038 655 K CA 0.291 56.491 56.287 -0.144 0.000 0.967 655 K CB 0.106 32.496 32.500 -0.182 0.000 0.780 655 K HN 0.347 nan 8.250 nan 0.000 0.483 656 S N 0.613 116.299 115.700 -0.023 0.000 2.428 656 S HA -0.058 4.412 4.470 0.001 0.000 0.230 656 S C 0.514 175.142 174.600 0.046 0.000 1.014 656 S CA 0.338 58.545 58.200 0.012 0.000 0.957 656 S CB -0.173 63.026 63.200 -0.002 0.000 0.784 656 S HN 0.318 nan 8.310 nan 0.000 0.499 657 N N 2.054 120.805 118.700 0.084 0.000 2.406 657 N HA 0.125 4.865 4.740 0.001 0.000 0.265 657 N C -1.699 173.877 175.510 0.111 0.000 1.203 657 N CA -1.834 51.273 53.050 0.095 0.000 0.945 657 N CB 1.161 39.715 38.487 0.112 0.000 1.165 657 N HN 0.061 nan 8.380 nan 0.000 0.485 658 P HA -0.154 nan 4.420 nan 0.000 0.215 658 P C 1.432 178.757 177.300 0.041 0.000 1.157 658 P CA 0.872 64.005 63.100 0.055 0.000 0.863 658 P CB 0.299 32.017 31.700 0.030 0.000 0.787 659 I N -0.524 120.062 120.570 0.027 0.000 2.163 659 I HA -0.155 4.015 4.170 0.001 0.000 0.243 659 I C 2.421 178.532 176.117 -0.010 0.000 1.085 659 I CA 1.390 62.696 61.300 0.009 0.000 1.347 659 I CB -1.639 36.365 38.000 0.007 0.000 1.044 659 I HN -0.158 nan 8.210 nan 0.000 0.408 660 V N 0.810 120.718 119.914 -0.010 0.000 2.594 660 V HA -0.215 3.905 4.120 0.001 0.000 0.253 660 V C 2.399 178.373 176.094 -0.200 0.000 1.069 660 V CA 1.116 63.360 62.300 -0.092 0.000 1.082 660 V CB -0.623 31.170 31.823 -0.050 0.000 0.680 660 V HN 0.331 nan 8.190 nan 0.000 0.469 661 L N 0.782 121.987 121.223 -0.031 0.000 2.068 661 L HA 0.003 4.344 4.340 0.001 0.000 0.204 661 L C 2.509 179.365 176.870 -0.024 0.000 1.076 661 L CA 1.958 56.816 54.840 0.030 0.000 0.753 661 L CB -0.864 41.315 42.059 0.200 0.000 0.910 661 L HN 0.250 nan 8.230 nan 0.000 0.439 662 R N 0.152 120.647 120.500 -0.008 0.000 2.091 662 R HA -0.218 4.123 4.340 0.001 0.000 0.238 662 R C 2.308 178.602 176.300 -0.010 0.000 1.136 662 R CA 2.494 58.589 56.100 -0.009 0.000 0.959 662 R CB -0.897 29.401 30.300 -0.003 0.000 0.856 662 R HN 0.607 nan 8.270 nan 0.000 0.437 663 M N -0.655 118.927 119.600 -0.030 0.000 2.067 663 M HA -0.174 4.306 4.480 0.001 0.000 0.260 663 M C 1.513 177.814 176.300 0.002 0.000 1.069 663 M CA 1.938 57.230 55.300 -0.014 0.000 1.117 663 M CB -0.051 32.523 32.600 -0.044 0.000 1.334 663 M HN 0.179 nan 8.290 nan 0.000 0.407 664 M N 0.454 120.009 119.600 -0.075 0.000 2.175 664 M HA -0.140 4.340 4.480 0.001 0.000 0.264 664 M C 1.759 178.124 176.300 0.107 0.000 1.063 664 M CA 1.401 56.695 55.300 -0.010 0.000 1.119 664 M CB -1.861 30.559 32.600 -0.300 0.000 1.377 664 M HN 0.388 nan 8.290 nan 0.000 0.415 665 N N 1.197 119.921 118.700 0.039 0.000 2.084 665 N HA -0.149 4.592 4.740 0.001 0.000 0.190 665 N C 1.272 176.795 175.510 0.022 0.000 1.030 665 N CA 1.345 54.417 53.050 0.037 0.000 0.849 665 N CB -0.435 38.047 38.487 -0.007 0.000 1.012 665 N HN 0.285 nan 8.380 nan 0.000 0.423 666 D N 1.042 121.452 120.400 0.017 0.000 2.123 666 D HA -0.143 4.497 4.640 0.001 0.000 0.196 666 D C 1.972 178.347 176.300 0.126 0.000 0.992 666 D CA 0.961 54.977 54.000 0.027 0.000 0.833 666 D CB -0.252 40.644 40.800 0.160 0.000 0.954 666 D HN 0.413 nan 8.370 nan 0.000 0.455 667 Q N -0.533 119.348 119.800 0.136 0.000 2.084 667 Q HA -0.120 4.220 4.340 0.001 0.000 0.202 667 Q C 2.023 178.037 176.000 0.023 0.000 0.978 667 Q CA 0.562 56.413 55.803 0.080 0.000 0.844 667 Q CB -0.026 28.730 28.738 0.030 0.000 0.898 667 Q HN 0.186 nan 8.270 nan 0.000 0.426 668 L N 0.292 121.583 121.223 0.113 0.000 2.046 668 L HA -0.154 4.187 4.340 0.001 0.000 0.208 668 L C 2.244 179.271 176.870 0.262 0.000 1.077 668 L CA 1.679 56.650 54.840 0.219 0.000 0.747 668 L CB -0.802 41.440 42.059 0.305 0.000 0.896 668 L HN 0.334 nan 8.230 nan 0.000 0.432 669 M N -1.951 117.720 119.600 0.118 0.000 2.086 669 M HA -0.237 4.244 4.480 0.001 0.000 0.261 669 M C 1.804 178.035 176.300 -0.115 0.000 1.067 669 M CA 1.827 57.127 55.300 0.001 0.000 1.116 669 M CB -0.136 32.276 32.600 -0.314 0.000 1.348 669 M HN 0.111 nan 8.290 nan 0.000 0.407 670 F N -0.001 119.980 119.950 0.051 0.000 2.802 670 F HA -0.012 4.515 4.527 0.001 0.000 0.300 670 F C 1.684 177.439 175.800 -0.074 0.000 1.168 670 F CA 0.247 58.239 58.000 -0.014 0.000 1.433 670 F CB -0.719 38.253 39.000 -0.047 0.000 1.115 670 F HN 0.196 nan 8.300 nan 0.000 0.582 671 L N 0.390 121.655 121.223 0.070 0.000 2.056 671 L HA -0.129 4.212 4.340 0.001 0.000 0.207 671 L C 2.326 179.151 176.870 -0.075 0.000 1.078 671 L CA 1.820 56.622 54.840 -0.064 0.000 0.749 671 L CB -0.722 41.307 42.059 -0.051 0.000 0.901 671 L HN 0.046 nan 8.230 nan 0.000 0.433 672 E N -0.311 119.942 120.200 0.088 0.000 2.110 672 E HA -0.271 4.080 4.350 0.001 0.000 0.193 672 E C 2.316 178.985 176.600 0.114 0.000 0.988 672 E CA 1.068 57.608 56.400 0.233 0.000 0.804 672 E CB -0.135 29.731 29.700 0.275 0.000 0.745 672 E HN 0.278 nan 8.360 nan 0.000 0.458 673 R N -0.342 120.211 120.500 0.089 0.000 2.152 673 R HA 0.019 4.360 4.340 0.001 0.000 0.232 673 R C 1.898 178.153 176.300 -0.074 0.000 1.117 673 R CA 1.202 57.345 56.100 0.071 0.000 0.981 673 R CB -0.460 29.985 30.300 0.241 0.000 0.870 673 R HN 0.245 nan 8.270 nan 0.000 0.451 674 A N -1.027 121.668 122.820 -0.207 0.000 2.066 674 A HA -0.049 4.271 4.320 0.001 0.000 0.218 674 A C 1.248 178.562 177.584 -0.450 0.000 1.157 674 A CA 0.760 52.578 52.037 -0.365 0.000 0.670 674 A CB -0.403 18.300 19.000 -0.495 0.000 0.804 674 A HN 0.302 nan 8.150 nan 0.000 0.453 675 F N -0.038 119.724 119.950 -0.314 0.000 2.811 675 F HA 0.237 4.764 4.527 0.001 0.000 0.301 675 F C 0.523 176.032 175.800 -0.485 0.000 1.151 675 F CA -0.539 57.175 58.000 -0.477 0.000 1.412 675 F CB 0.048 38.589 39.000 -0.766 0.000 1.113 675 F HN 0.020 nan 8.300 nan 0.000 0.579 676 I N 0.954 121.410 120.570 -0.191 0.000 2.371 676 I HA 0.065 4.235 4.170 0.001 0.000 0.290 676 I C 0.006 176.079 176.117 -0.074 0.000 1.028 676 I CA -0.289 60.936 61.300 -0.126 0.000 1.345 676 I CB 0.522 38.478 38.000 -0.073 0.000 1.407 676 I HN -0.087 nan 8.210 nan 0.000 0.501 677 D N 9.467 129.841 120.400 -0.042 0.000 2.317 677 D HA 0.268 4.908 4.640 0.001 0.000 0.234 677 D C -1.611 174.673 176.300 -0.027 0.000 1.112 677 D CA -1.952 52.037 54.000 -0.019 0.000 0.840 677 D CB 2.257 43.054 40.800 -0.004 0.000 1.078 677 D HN 0.227 nan 8.370 nan 0.000 0.486 678 P HA -0.076 nan 4.420 nan 0.000 0.222 678 P C 1.557 178.819 177.300 -0.063 0.000 1.147 678 P CA 0.534 63.608 63.100 -0.043 0.000 0.790 678 P CB 0.437 32.114 31.700 -0.038 0.000 0.780 679 L N -1.546 119.643 121.223 -0.057 0.000 2.551 679 L HA 0.098 4.438 4.340 0.001 0.000 0.228 679 L C 1.443 178.259 176.870 -0.090 0.000 1.153 679 L CA 0.537 55.333 54.840 -0.074 0.000 0.851 679 L CB -1.407 40.617 42.059 -0.058 0.000 0.959 679 L HN 0.106 nan 8.230 nan 0.000 0.451 680 G N 0.542 109.299 108.800 -0.071 0.000 2.804 680 G HA2 -0.276 3.684 3.960 0.001 0.000 0.230 680 G HA3 -0.276 3.684 3.960 0.001 0.000 0.230 680 G C -0.495 174.387 174.900 -0.029 0.000 1.386 680 G CA -0.615 44.449 45.100 -0.059 0.000 0.875 680 G HN 0.074 nan 8.290 nan 0.000 0.557 681 L N 1.125 122.349 121.223 0.000 0.000 2.399 681 L HA 0.431 4.772 4.340 0.001 0.000 0.265 681 L C -1.729 175.133 176.870 -0.013 0.000 1.089 681 L CA -1.916 52.935 54.840 0.017 0.000 0.802 681 L CB 1.382 43.482 42.059 0.068 0.000 1.180 681 L HN 0.329 nan 8.230 nan 0.000 0.454 682 P HA -0.002 nan 4.420 nan 0.000 0.260 682 P C -0.521 176.758 177.300 -0.035 0.000 1.185 682 P CA 0.477 63.561 63.100 -0.027 0.000 0.763 682 P CB 0.258 31.949 31.700 -0.015 0.000 0.776 683 D N 1.399 121.764 120.400 -0.059 0.000 2.946 683 D HA -0.196 4.445 4.640 0.001 0.000 0.202 683 D C 0.010 176.254 176.300 -0.094 0.000 1.068 683 D CA 1.158 55.116 54.000 -0.070 0.000 1.011 683 D CB -0.800 39.971 40.800 -0.050 0.000 1.105 683 D HN 0.565 nan 8.370 nan 0.000 0.425 684 R N 0.216 120.658 120.500 -0.096 0.000 2.629 684 R HA 0.207 4.548 4.340 0.001 0.000 0.277 684 R C -1.888 174.291 176.300 -0.202 0.000 1.637 684 R CA -1.271 54.745 56.100 -0.141 0.000 1.663 684 R CB 1.316 31.605 30.300 -0.019 0.000 1.228 684 R HN 0.002 nan 8.270 nan 0.000 0.632 685 P HA -0.146 nan 4.420 nan 0.000 0.221 685 P C 0.475 177.437 177.300 -0.563 0.000 1.145 685 P CA 1.303 64.106 63.100 -0.494 0.000 0.795 685 P CB 0.152 31.411 31.700 -0.735 0.000 0.775 686 F N -3.128 116.682 119.950 -0.233 0.000 2.727 686 F HA 0.160 4.688 4.527 0.001 0.000 0.302 686 F C 0.755 176.466 175.800 -0.149 0.000 1.097 686 F CA -0.307 57.549 58.000 -0.240 0.000 1.330 686 F CB -0.594 38.212 39.000 -0.323 0.000 1.084 686 F HN -0.207 nan 8.300 nan 0.000 0.578 687 Y N 1.357 121.676 120.300 0.032 0.000 2.518 687 Y HA 0.375 4.925 4.550 0.001 0.000 0.344 687 Y C 1.134 177.032 175.900 -0.003 0.000 0.982 687 Y CA -1.245 56.862 58.100 0.013 0.000 1.234 687 Y CB 0.201 38.659 38.460 -0.004 0.000 1.114 687 Y HN 0.034 nan 8.280 nan 0.000 0.515 688 R N 0.097 120.700 120.500 0.172 0.000 2.404 688 R HA 0.059 4.400 4.340 0.001 0.000 0.237 688 R C 0.062 176.397 176.300 0.059 0.000 0.907 688 R CA -0.216 55.928 56.100 0.073 0.000 1.063 688 R CB 0.567 30.885 30.300 0.030 0.000 1.134 688 R HN 0.454 nan 8.270 nan 0.000 0.529 689 H N 1.223 120.281 119.070 -0.019 0.000 2.690 689 H HA 0.084 4.641 4.556 0.001 0.000 0.314 689 H C 1.010 176.305 175.328 -0.055 0.000 1.069 689 H CA 0.130 56.136 56.048 -0.070 0.000 1.436 689 H CB 1.423 31.069 29.762 -0.194 0.000 1.462 689 H HN -0.193 nan 8.280 nan 0.000 0.511 690 V N 6.265 126.179 119.914 -0.000 0.000 2.951 690 V HA -0.154 3.967 4.120 0.001 0.000 0.255 690 V C 2.046 178.150 176.094 0.017 0.000 1.088 690 V CA 0.699 63.028 62.300 0.048 0.000 1.109 690 V CB -0.201 31.655 31.823 0.055 0.000 0.724 690 V HN 0.660 nan 8.190 nan 0.000 0.471 691 I N -1.407 119.124 120.570 -0.066 0.000 2.585 691 I HA 0.089 4.260 4.170 0.001 0.000 0.254 691 I C 0.530 176.192 176.117 -0.759 0.000 1.129 691 I CA 0.833 61.790 61.300 -0.573 0.000 1.455 691 I CB -0.686 36.801 38.000 -0.855 0.000 1.111 691 I HN 0.222 nan 8.210 nan 0.000 0.433 692 Y N 0.482 120.681 120.300 -0.168 0.000 2.409 692 Y HA 0.739 5.289 4.550 0.001 0.000 0.343 692 Y C 0.109 175.885 175.900 -0.207 0.000 0.973 692 Y CA -1.184 56.758 58.100 -0.263 0.000 1.064 692 Y CB 1.720 40.022 38.460 -0.264 0.000 1.207 692 Y HN 0.012 nan 8.280 nan 0.000 0.452 693 A N 3.259 126.041 122.820 -0.063 0.000 2.587 693 A HA 0.845 5.166 4.320 0.001 0.000 0.293 693 A C -3.183 174.236 177.584 -0.276 0.000 1.087 693 A CA -2.146 49.758 52.037 -0.222 0.000 0.692 693 A CB 1.606 20.485 19.000 -0.202 0.000 1.291 693 A HN 0.417 nan 8.150 nan 0.000 0.407 694 P HA 0.176 nan 4.420 nan 0.000 0.269 694 P C 0.067 177.199 177.300 -0.280 0.000 1.209 694 P CA 0.087 62.979 63.100 -0.346 0.000 0.776 694 P CB 0.749 32.193 31.700 -0.426 0.000 0.876 695 S N 1.829 117.385 115.700 -0.239 0.000 2.537 695 S HA 0.002 4.473 4.470 0.001 0.000 0.286 695 S C 1.231 175.686 174.600 -0.241 0.000 1.299 695 S CA -0.043 58.016 58.200 -0.235 0.000 1.067 695 S CB -0.422 62.653 63.200 -0.209 0.000 0.864 695 S HN 0.327 nan 8.310 nan 0.000 0.494 696 S N 3.756 119.270 115.700 -0.309 0.000 2.500 696 S HA -0.049 4.421 4.470 0.001 0.000 0.239 696 S C 0.988 175.226 174.600 -0.604 0.000 0.989 696 S CA 0.653 58.604 58.200 -0.416 0.000 0.951 696 S CB -0.353 62.543 63.200 -0.507 0.000 0.759 696 S HN 0.838 nan 8.310 nan 0.000 0.523 697 H N -0.134 118.823 119.070 -0.188 0.000 2.652 697 H HA 0.339 4.896 4.556 0.001 0.000 0.274 697 H C 0.122 175.364 175.328 -0.143 0.000 1.021 697 H CA 0.055 55.996 56.048 -0.178 0.000 1.187 697 H CB 0.317 29.938 29.762 -0.236 0.000 1.505 697 H HN 0.241 nan 8.280 nan 0.000 0.530 698 N N 0.784 119.419 118.700 -0.109 0.000 3.321 698 N HA -0.026 4.714 4.740 0.001 0.000 0.217 698 N C 0.589 175.955 175.510 -0.239 0.000 1.405 698 N CA -0.173 52.781 53.050 -0.159 0.000 0.799 698 N CB 0.808 39.177 38.487 -0.197 0.000 1.619 698 N HN -0.060 nan 8.380 nan 0.000 0.648 699 K N 1.384 121.644 120.400 -0.234 0.000 2.173 699 K HA -0.180 4.140 4.320 0.001 0.000 0.207 699 K C 0.539 176.958 176.600 -0.301 0.000 1.046 699 K CA 1.622 57.712 56.287 -0.328 0.000 0.929 699 K CB -0.012 32.150 32.500 -0.563 0.000 0.720 699 K HN 0.454 nan 8.250 nan 0.000 0.453 700 Y N -0.081 120.022 120.300 -0.330 0.000 2.352 700 Y HA 0.087 4.638 4.550 0.001 0.000 0.292 700 Y C 1.014 176.622 175.900 -0.485 0.000 1.136 700 Y CA 0.313 58.186 58.100 -0.379 0.000 1.227 700 Y CB -0.403 37.804 38.460 -0.422 0.000 0.991 700 Y HN 0.040 nan 8.280 nan 0.000 0.545 701 A N 0.143 122.688 122.820 -0.458 0.000 2.301 701 A HA 0.630 4.950 4.320 0.001 0.000 0.312 701 A C 0.789 178.279 177.584 -0.155 0.000 1.182 701 A CA -0.091 51.740 52.037 -0.343 0.000 0.826 701 A CB 0.080 18.846 19.000 -0.390 0.000 1.134 701 A HN 0.281 nan 8.150 nan 0.000 0.501 702 G N 0.669 109.429 108.800 -0.066 0.000 2.432 702 G HA2 0.473 4.433 3.960 0.001 0.000 0.257 702 G HA3 0.473 4.433 3.960 0.001 0.000 0.257 702 G C -0.336 174.497 174.900 -0.111 0.000 1.238 702 G CA -0.045 45.011 45.100 -0.073 0.000 0.838 702 G HN 0.736 nan 8.290 nan 0.000 0.547 703 E N 0.269 120.376 120.200 -0.154 0.000 2.212 703 E HA 0.521 4.871 4.350 0.001 0.000 0.268 703 E C 0.140 176.594 176.600 -0.244 0.000 0.902 703 E CA -0.619 55.632 56.400 -0.249 0.000 0.779 703 E CB 1.431 30.920 29.700 -0.351 0.000 1.172 703 E HN 0.504 nan 8.360 nan 0.000 0.409 704 S N 2.535 118.005 115.700 -0.384 0.000 2.616 704 S HA 0.439 4.909 4.470 0.001 0.000 0.277 704 S C -0.265 174.132 174.600 -0.338 0.000 1.234 704 S CA -0.624 57.170 58.200 -0.677 0.000 1.028 704 S CB 0.140 62.511 63.200 -1.381 0.000 0.988 704 S HN 0.532 nan 8.310 nan 0.000 0.522 705 F N 0.105 119.904 119.950 -0.252 0.000 2.861 705 F HA -0.103 4.424 4.527 0.001 0.000 0.230 705 F C -1.198 174.606 175.800 0.006 0.000 1.020 705 F CA 0.289 58.244 58.000 -0.076 0.000 0.852 705 F CB -2.043 36.965 39.000 0.014 0.000 0.724 705 F HN 0.543 nan 8.300 nan 0.000 0.843 706 P HA -0.215 nan 4.420 nan 0.000 0.216 706 P C 1.861 179.252 177.300 0.151 0.000 1.150 706 P CA 2.166 65.314 63.100 0.080 0.000 0.843 706 P CB 0.006 31.702 31.700 -0.007 0.000 0.787 707 G N -0.054 108.828 108.800 0.136 0.000 2.408 707 G HA2 -0.161 3.800 3.960 0.001 0.000 0.217 707 G HA3 -0.161 3.800 3.960 0.001 0.000 0.217 707 G C 1.664 176.630 174.900 0.110 0.000 1.150 707 G CA 0.455 45.618 45.100 0.105 0.000 0.776 707 G HN 0.259 nan 8.290 nan 0.000 0.542 708 I N -1.030 119.630 120.570 0.149 0.000 2.233 708 I HA -0.062 4.109 4.170 0.001 0.000 0.243 708 I C 2.414 178.628 176.117 0.161 0.000 1.093 708 I CA 0.799 62.176 61.300 0.128 0.000 1.380 708 I CB -0.397 37.692 38.000 0.148 0.000 1.067 708 I HN 0.168 nan 8.210 nan 0.000 0.413 709 Y N 2.324 122.703 120.300 0.132 0.000 2.081 709 Y HA -0.358 4.193 4.550 0.001 0.000 0.280 709 Y C 2.224 178.213 175.900 0.149 0.000 1.163 709 Y CA 2.069 60.256 58.100 0.145 0.000 1.135 709 Y CB -0.196 38.340 38.460 0.127 0.000 0.970 709 Y HN 0.189 nan 8.280 nan 0.000 0.498 710 D N -0.160 120.428 120.400 0.313 0.000 2.178 710 D HA -0.124 4.517 4.640 0.001 0.000 0.202 710 D C 2.233 178.582 176.300 0.082 0.000 0.974 710 D CA 1.229 55.360 54.000 0.218 0.000 0.841 710 D CB -0.535 40.359 40.800 0.156 0.000 0.953 710 D HN 0.499 nan 8.370 nan 0.000 0.478 711 A N 0.470 123.296 122.820 0.010 0.000 1.933 711 A HA -0.099 4.222 4.320 0.001 0.000 0.218 711 A C 2.291 179.740 177.584 -0.224 0.000 1.175 711 A CA 0.841 52.818 52.037 -0.102 0.000 0.628 711 A CB -0.613 18.318 19.000 -0.116 0.000 0.814 711 A HN 0.213 nan 8.150 nan 0.000 0.444 712 L N -2.105 118.992 121.223 -0.209 0.000 2.240 712 L HA 0.098 4.438 4.340 0.001 0.000 0.211 712 L C 0.906 177.624 176.870 -0.254 0.000 1.106 712 L CA -0.281 54.370 54.840 -0.316 0.000 0.793 712 L CB -0.242 41.694 42.059 -0.205 0.000 0.927 712 L HN 0.418 nan 8.230 nan 0.000 0.446 713 F N 1.877 121.655 119.950 -0.287 0.000 2.602 713 F HA -0.070 4.457 4.527 0.001 0.000 0.385 713 F C 1.152 176.915 175.800 -0.062 0.000 1.063 713 F CA 0.087 57.979 58.000 -0.180 0.000 1.233 713 F CB -0.026 38.956 39.000 -0.030 0.000 1.067 713 F HN 0.099 nan 8.300 nan 0.000 0.564 714 D N 4.387 124.327 120.400 -0.766 0.000 2.811 714 D HA -0.320 4.320 4.640 0.001 0.000 0.231 714 D C 1.230 177.388 176.300 -0.236 0.000 1.157 714 D CA 1.212 54.928 54.000 -0.472 0.000 0.716 714 D CB -1.368 39.243 40.800 -0.315 0.000 1.077 714 D HN 0.716 nan 8.370 nan 0.000 0.428 715 I N 0.134 120.544 120.570 -0.267 0.000 2.335 715 I HA -0.285 3.885 4.170 0.001 0.000 0.251 715 I C 1.667 177.691 176.117 -0.156 0.000 1.129 715 I CA 1.480 62.603 61.300 -0.295 0.000 1.402 715 I CB 0.104 37.756 38.000 -0.580 0.000 1.069 715 I HN 0.071 nan 8.210 nan 0.000 0.424 716 E N 0.345 120.501 120.200 -0.073 0.000 2.267 716 E HA -0.178 4.173 4.350 0.001 0.000 0.197 716 E C 1.982 178.572 176.600 -0.017 0.000 0.998 716 E CA 1.240 57.658 56.400 0.029 0.000 0.830 716 E CB -0.494 29.247 29.700 0.068 0.000 0.751 716 E HN 0.354 nan 8.360 nan 0.000 0.491 717 S N -0.144 115.512 115.700 -0.073 0.000 2.593 717 S HA 0.083 4.553 4.470 0.001 0.000 0.217 717 S C 0.409 174.984 174.600 -0.042 0.000 0.966 717 S CA -0.059 58.099 58.200 -0.071 0.000 0.914 717 S CB 0.113 63.245 63.200 -0.113 0.000 0.776 717 S HN 0.140 nan 8.310 nan 0.000 0.523 718 K N 0.853 121.227 120.400 -0.044 0.000 2.218 718 K HA 0.276 4.596 4.320 0.001 0.000 0.276 718 K C 0.772 177.365 176.600 -0.011 0.000 1.022 718 K CA -0.300 55.964 56.287 -0.038 0.000 0.946 718 K CB 1.304 33.758 32.500 -0.077 0.000 1.000 718 K HN -0.131 nan 8.250 nan 0.000 0.468 719 V N 1.021 120.931 119.914 -0.008 0.000 2.427 719 V HA -0.167 3.954 4.120 0.001 0.000 0.248 719 V C 0.548 176.651 176.094 0.014 0.000 1.051 719 V CA 1.667 63.970 62.300 0.005 0.000 1.048 719 V CB -0.232 31.592 31.823 0.002 0.000 0.666 719 V HN 0.784 nan 8.190 nan 0.000 0.456 720 D N -1.359 119.042 120.400 0.002 0.000 2.460 720 D HA 0.248 4.888 4.640 0.001 0.000 0.268 720 D C -1.757 174.542 176.300 -0.001 0.000 1.153 720 D CA -2.211 51.793 54.000 0.007 0.000 0.929 720 D CB 1.564 42.360 40.800 -0.007 0.000 1.015 720 D HN 0.100 nan 8.370 nan 0.000 0.502 721 P HA -0.191 nan 4.420 nan 0.000 0.216 721 P C 1.400 178.654 177.300 -0.078 0.000 1.154 721 P CA 1.322 64.491 63.100 0.115 0.000 0.865 721 P CB 0.214 32.069 31.700 0.258 0.000 0.789 722 S N -1.926 113.657 115.700 -0.194 0.000 2.436 722 S HA -0.076 4.395 4.470 0.001 0.000 0.228 722 S C 2.036 176.484 174.600 -0.252 0.000 1.014 722 S CA 0.866 58.751 58.200 -0.525 0.000 0.950 722 S CB -0.789 62.345 63.200 -0.109 0.000 0.784 722 S HN -0.064 nan 8.310 nan 0.000 0.504 723 K N 1.510 121.834 120.400 -0.127 0.000 2.025 723 K HA 0.228 4.548 4.320 0.001 0.000 0.207 723 K C 2.617 179.136 176.600 -0.134 0.000 1.049 723 K CA 1.181 57.410 56.287 -0.097 0.000 0.933 723 K CB -1.407 31.057 32.500 -0.061 0.000 0.714 723 K HN 0.651 nan 8.250 nan 0.000 0.438 724 A N -0.755 121.963 122.820 -0.169 0.000 1.917 724 A HA -0.183 4.138 4.320 0.001 0.000 0.219 724 A C 2.120 179.461 177.584 -0.405 0.000 1.182 724 A CA 1.992 53.858 52.037 -0.284 0.000 0.633 724 A CB -0.976 17.818 19.000 -0.343 0.000 0.819 724 A HN 0.736 nan 8.150 nan 0.000 0.448 725 W N -0.439 120.680 121.300 -0.301 0.000 2.476 725 W HA 0.144 4.805 4.660 0.001 0.000 0.281 725 W C 2.488 178.880 176.519 -0.212 0.000 1.230 725 W CA 0.713 57.887 57.345 -0.285 0.000 1.287 725 W CB -0.495 28.700 29.460 -0.441 0.000 1.108 725 W HN 0.384 nan 8.180 nan 0.000 0.567 726 G N 0.352 109.121 108.800 -0.052 0.000 2.469 726 G HA2 -0.354 3.606 3.960 0.001 0.000 0.219 726 G HA3 -0.354 3.606 3.960 0.001 0.000 0.219 726 G C 1.312 176.189 174.900 -0.039 0.000 1.150 726 G CA 1.622 46.701 45.100 -0.035 0.000 0.763 726 G HN 0.247 nan 8.290 nan 0.000 0.561 727 E N 0.268 120.418 120.200 -0.083 0.000 2.072 727 E HA -0.042 4.309 4.350 0.001 0.000 0.190 727 E C 2.640 179.190 176.600 -0.084 0.000 0.982 727 E CA 0.770 57.122 56.400 -0.079 0.000 0.803 727 E CB -0.432 29.206 29.700 -0.104 0.000 0.755 727 E HN 0.184 nan 8.360 nan 0.000 0.453 728 V N 1.215 121.046 119.914 -0.138 0.000 2.282 728 V HA -0.327 3.794 4.120 0.001 0.000 0.249 728 V C 2.245 178.302 176.094 -0.062 0.000 1.057 728 V CA 2.445 64.673 62.300 -0.119 0.000 1.032 728 V CB -0.501 31.221 31.823 -0.169 0.000 0.645 728 V HN 0.271 nan 8.190 nan 0.000 0.447 729 K N -0.449 119.941 120.400 -0.017 0.000 2.097 729 K HA -0.155 4.165 4.320 0.001 0.000 0.205 729 K C 2.398 179.004 176.600 0.011 0.000 1.050 729 K CA 1.257 57.529 56.287 -0.025 0.000 0.938 729 K CB -0.254 32.252 32.500 0.011 0.000 0.718 729 K HN 0.303 nan 8.250 nan 0.000 0.442 730 R N 1.081 121.600 120.500 0.032 0.000 2.096 730 R HA -0.181 4.160 4.340 0.001 0.000 0.240 730 R C 2.211 178.570 176.300 0.099 0.000 1.139 730 R CA 1.561 57.726 56.100 0.109 0.000 0.952 730 R CB 0.053 30.395 30.300 0.069 0.000 0.854 730 R HN 0.173 nan 8.270 nan 0.000 0.436 731 Q N 0.208 120.020 119.800 0.020 0.000 2.167 731 Q HA -0.134 4.207 4.340 0.001 0.000 0.202 731 Q C 2.213 178.193 176.000 -0.033 0.000 0.970 731 Q CA 1.239 57.041 55.803 -0.002 0.000 0.855 731 Q CB -0.135 28.600 28.738 -0.005 0.000 0.911 731 Q HN 0.466 nan 8.270 nan 0.000 0.438 732 I N 0.150 120.673 120.570 -0.077 0.000 2.163 732 I HA -0.322 3.849 4.170 0.001 0.000 0.243 732 I C 2.366 178.468 176.117 -0.024 0.000 1.085 732 I CA 1.458 62.669 61.300 -0.150 0.000 1.347 732 I CB -0.470 37.340 38.000 -0.317 0.000 1.044 732 I HN 0.132 nan 8.210 nan 0.000 0.408 733 Y N 1.407 121.660 120.300 -0.079 0.000 2.128 733 Y HA -0.241 4.310 4.550 0.001 0.000 0.284 733 Y C 2.384 178.315 175.900 0.052 0.000 1.154 733 Y CA 1.562 59.651 58.100 -0.017 0.000 1.149 733 Y CB -0.887 37.556 38.460 -0.028 0.000 0.976 733 Y HN -0.089 nan 8.280 nan 0.000 0.505 734 V N 0.966 120.741 119.914 -0.231 0.000 2.287 734 V HA -0.346 3.775 4.120 0.001 0.000 0.248 734 V C 2.792 178.862 176.094 -0.039 0.000 1.053 734 V CA 2.044 64.209 62.300 -0.226 0.000 1.027 734 V CB -1.726 30.024 31.823 -0.122 0.000 0.646 734 V HN 0.599 nan 8.190 nan 0.000 0.447 735 A N -0.136 122.666 122.820 -0.030 0.000 1.877 735 A HA -0.124 4.197 4.320 0.001 0.000 0.216 735 A C 2.440 180.017 177.584 -0.011 0.000 1.186 735 A CA 2.188 54.220 52.037 -0.009 0.000 0.620 735 A CB -0.863 18.030 19.000 -0.177 0.000 0.822 735 A HN 0.578 nan 8.150 nan 0.000 0.443 736 A N -0.874 121.930 122.820 -0.027 0.000 1.877 736 A HA -0.078 4.242 4.320 0.001 0.000 0.216 736 A C 2.088 179.711 177.584 0.065 0.000 1.186 736 A CA 1.761 53.814 52.037 0.026 0.000 0.620 736 A CB -0.828 18.215 19.000 0.071 0.000 0.822 736 A HN 0.893 nan 8.150 nan 0.000 0.443 737 F N 1.500 121.415 119.950 -0.058 0.000 2.171 737 F HA -0.120 4.408 4.527 0.001 0.000 0.300 737 F C 2.181 177.954 175.800 -0.044 0.000 1.090 737 F CA 2.221 60.182 58.000 -0.064 0.000 1.293 737 F CB -0.713 38.175 39.000 -0.187 0.000 1.013 737 F HN 0.177 nan 8.300 nan 0.000 0.486 738 T N -0.004 114.336 114.554 -0.357 0.000 2.904 738 T HA -0.077 4.273 4.350 0.001 0.000 0.267 738 T C 2.189 176.746 174.700 -0.238 0.000 1.059 738 T CA 1.292 63.133 62.100 -0.431 0.000 1.137 738 T CB -0.469 68.343 68.868 -0.093 0.000 0.879 738 T HN 0.155 nan 8.240 nan 0.000 0.467 739 V N 1.517 121.409 119.914 -0.037 0.000 2.358 739 V HA -0.162 3.959 4.120 0.001 0.000 0.246 739 V C 2.666 178.797 176.094 0.062 0.000 1.047 739 V CA 1.682 64.047 62.300 0.109 0.000 1.035 739 V CB -0.565 31.351 31.823 0.155 0.000 0.658 739 V HN 0.358 nan 8.190 nan 0.000 0.452 740 Q N 0.625 120.398 119.800 -0.045 0.000 2.084 740 Q HA -0.123 4.218 4.340 0.001 0.000 0.202 740 Q C 2.104 178.002 176.000 -0.170 0.000 0.978 740 Q CA 2.231 58.005 55.803 -0.047 0.000 0.844 740 Q CB -0.558 28.177 28.738 -0.006 0.000 0.898 740 Q HN 0.579 nan 8.270 nan 0.000 0.426 741 A N 0.275 122.851 122.820 -0.408 0.000 1.898 741 A HA -0.009 4.312 4.320 0.001 0.000 0.216 741 A C 2.299 179.680 177.584 -0.340 0.000 1.181 741 A CA 1.736 53.511 52.037 -0.437 0.000 0.620 741 A CB -1.191 17.347 19.000 -0.771 0.000 0.819 741 A HN 0.525 nan 8.150 nan 0.000 0.442 742 A N 0.096 122.693 122.820 -0.371 0.000 1.883 742 A HA 0.084 4.405 4.320 0.001 0.000 0.217 742 A C 2.543 179.953 177.584 -0.290 0.000 1.186 742 A CA 2.390 54.166 52.037 -0.434 0.000 0.624 742 A CB -1.175 17.352 19.000 -0.789 0.000 0.822 742 A HN 1.113 nan 8.150 nan 0.000 0.444 743 A N -0.175 122.547 122.820 -0.163 0.000 1.883 743 A HA -0.230 4.090 4.320 0.001 0.000 0.217 743 A C 1.853 179.254 177.584 -0.305 0.000 1.186 743 A CA 1.798 53.602 52.037 -0.387 0.000 0.624 743 A CB -0.708 18.187 19.000 -0.175 0.000 0.822 743 A HN 0.646 nan 8.150 nan 0.000 0.444 744 E N -0.566 119.514 120.200 -0.200 0.000 2.396 744 E HA -0.138 4.212 4.350 0.001 0.000 0.200 744 E C 1.966 178.464 176.600 -0.170 0.000 1.023 744 E CA 1.300 57.606 56.400 -0.157 0.000 0.857 744 E CB -0.324 29.311 29.700 -0.108 0.000 0.775 744 E HN 0.900 nan 8.360 nan 0.000 0.525 745 T N -1.456 112.963 114.554 -0.224 0.000 2.995 745 T HA -0.020 4.331 4.350 0.001 0.000 0.269 745 T C 1.689 176.249 174.700 -0.234 0.000 1.091 745 T CA 0.460 62.437 62.100 -0.206 0.000 1.128 745 T CB -0.050 68.690 68.868 -0.214 0.000 0.891 745 T HN 0.106 nan 8.240 nan 0.000 0.492 746 L N 1.057 122.085 121.223 -0.325 0.000 2.567 746 L HA 0.270 4.611 4.340 0.001 0.000 0.225 746 L C 1.106 177.905 176.870 -0.118 0.000 1.119 746 L CA -0.379 54.211 54.840 -0.418 0.000 0.871 746 L CB -0.216 41.457 42.059 -0.643 0.000 1.036 746 L HN 0.138 nan 8.230 nan 0.000 0.459 747 S N 0.448 116.091 115.700 -0.094 0.000 2.569 747 S HA 0.013 4.483 4.470 0.001 0.000 0.274 747 S C 0.383 174.997 174.600 0.023 0.000 1.353 747 S CA -0.413 57.774 58.200 -0.021 0.000 1.023 747 S CB 0.322 63.498 63.200 -0.040 0.000 0.876 747 S HN 0.211 nan 8.310 nan 0.000 0.540 748 E N 0.751 120.972 120.200 0.034 0.000 2.467 748 E HA -0.031 4.319 4.350 0.001 0.000 0.264 748 E C 1.245 177.849 176.600 0.007 0.000 1.020 748 E CA 0.004 56.420 56.400 0.026 0.000 0.945 748 E CB 0.274 29.983 29.700 0.015 0.000 0.942 748 E HN 0.528 nan 8.360 nan 0.000 0.449 749 V N -1.041 118.876 119.914 0.004 0.000 3.129 749 V HA 0.306 4.426 4.120 0.001 0.000 0.259 749 V C 0.578 176.665 176.094 -0.012 0.000 1.116 749 V CA 1.084 63.380 62.300 -0.007 0.000 1.127 749 V CB -0.379 31.441 31.823 -0.005 0.000 0.742 749 V HN 0.653 nan 8.190 nan 0.000 0.474 750 A N 0.000 122.815 122.820 -0.008 0.000 2.254 750 A HA 0.000 4.321 4.320 0.001 0.000 0.244 750 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 750 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 750 A HN 0.000 nan 8.150 nan 0.000 0.486