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 1j09_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVVTRIAPSP TGDPHVGTAY IALFNYAWAR RNGGRFIVRI EDTDRARYVP DATA SEQUENCE GAEERILAAL KWLGLSYDEG PDVGGPHGPY RQSERLPLYQ KYAEELLKRG DATA SEQUENCE WAYRAFETPE ELEQIRKEKG GYDGRARNIP PEEAEERARR GEPHVIRLKV DATA SEQUENCE PRPGTTEVKD ELRGVVVYDN QEIPDVVLLK SDGYPTYHLA NVVDDHLMGV DATA SEQUENCE TDVIRAEEWL VSTPIHVLLY RAFGWEAPRF YHMPLLRNPD KTKISKRKSH DATA SEQUENCE TSLDWYKAEG FLPEALRNYL CLMGFSMPDG REIFTLEEFI QAFTWERVSL DATA SEQUENCE GGPVFDLEKL RWMNGKYIRE VLSLEEVAER VKPFLREAGL SWESEAYLRR DATA SEQUENCE AVELMRPRFD TLKEFPEKAR YLFTEDYPVS EKAQRKLEEG LPLLKELYPR DATA SEQUENCE LRAQEEWTEA ALEALLRGFA AEKGVKLGQV AQPLRAALTG SLETPGLFEI DATA SEQUENCE LALLGKERAL RRLERALA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.271 176.300 -0.048 0.000 1.140 1 M CA 0.000 55.270 55.300 -0.050 0.000 0.988 1 M CB 0.000 32.575 32.600 -0.042 0.000 1.302 2 V N 4.679 124.541 119.914 -0.087 0.000 2.555 2 V HA 0.423 4.544 4.120 0.001 0.000 0.286 2 V C -0.426 175.645 176.094 -0.039 0.000 1.044 2 V CA -0.172 62.082 62.300 -0.077 0.000 1.026 2 V CB 1.316 32.998 31.823 -0.236 0.000 0.981 2 V HN 0.614 nan 8.190 nan 0.000 0.480 3 V N 4.818 124.746 119.914 0.023 0.000 2.482 3 V HA 0.513 4.633 4.120 0.001 0.000 0.295 3 V C 0.125 176.288 176.094 0.116 0.000 1.026 3 V CA -0.412 61.923 62.300 0.058 0.000 0.856 3 V CB 2.107 33.956 31.823 0.042 0.000 1.001 3 V HN 1.047 nan 8.190 nan 0.000 0.424 4 T N 2.697 117.359 114.554 0.180 0.000 2.938 4 T HA 1.010 5.361 4.350 0.001 0.000 0.285 4 T C -0.484 174.413 174.700 0.328 0.000 1.028 4 T CA -0.922 61.330 62.100 0.254 0.000 1.005 4 T CB 2.618 71.654 68.868 0.281 0.000 1.157 4 T HN 0.755 nan 8.240 nan 0.000 0.550 5 R N -0.384 120.314 120.500 0.331 0.000 2.733 5 R HA 0.773 5.113 4.340 0.001 0.000 0.272 5 R C -1.381 175.109 176.300 0.316 0.000 1.029 5 R CA -1.131 55.132 56.100 0.272 0.000 0.888 5 R CB 0.078 30.448 30.300 0.116 0.000 1.251 5 R HN 0.990 nan 8.270 nan 0.000 0.464 6 I N -2.522 118.167 120.570 0.199 0.000 2.608 6 I HA 0.926 5.097 4.170 0.001 0.000 0.295 6 I C -0.654 175.491 176.117 0.047 0.000 1.049 6 I CA -1.326 60.075 61.300 0.168 0.000 1.063 6 I CB 2.779 40.914 38.000 0.225 0.000 1.248 6 I HN 0.800 nan 8.210 nan 0.000 0.424 7 A N 5.508 128.345 122.820 0.029 0.000 3.297 7 A HA 0.563 4.883 4.320 0.001 0.000 0.304 7 A C -2.550 175.032 177.584 -0.004 0.000 0.963 7 A CA -1.275 50.763 52.037 0.001 0.000 0.935 7 A CB -0.373 18.619 19.000 -0.013 0.000 1.093 7 A HN 0.618 nan 8.150 nan 0.000 0.480 8 P HA 0.157 nan 4.420 nan 0.000 0.268 8 P C -0.220 177.104 177.300 0.040 0.000 1.205 8 P CA 0.369 63.490 63.100 0.036 0.000 0.771 8 P CB 1.153 32.883 31.700 0.051 0.000 0.858 9 S N 4.137 119.868 115.700 0.051 0.000 2.488 9 S HA 0.313 4.783 4.470 0.001 0.000 0.310 9 S C -2.006 172.638 174.600 0.072 0.000 1.093 9 S CA -1.075 57.163 58.200 0.064 0.000 1.129 9 S CB 0.167 63.406 63.200 0.064 0.000 0.989 9 S HN 0.442 nan 8.310 nan 0.000 0.479 10 P HA 0.130 nan 4.420 nan 0.000 0.268 10 P C 0.495 177.822 177.300 0.046 0.000 1.204 10 P CA -0.052 63.082 63.100 0.056 0.000 0.768 10 P CB 1.089 32.812 31.700 0.039 0.000 0.842 11 T N -0.216 114.361 114.554 0.037 0.000 3.176 11 T HA 0.357 4.708 4.350 0.001 0.000 0.259 11 T C 1.124 175.822 174.700 -0.003 0.000 0.978 11 T CA 0.784 62.900 62.100 0.027 0.000 1.050 11 T CB -0.007 68.891 68.868 0.049 0.000 1.136 11 T HN 0.432 nan 8.240 nan 0.000 0.465 12 G N 1.187 109.993 108.800 0.011 0.000 2.938 12 G HA2 0.342 4.303 3.960 0.001 0.000 0.144 12 G HA3 0.342 4.303 3.960 0.001 0.000 0.144 12 G C -1.216 173.691 174.900 0.011 0.000 1.366 12 G CA -0.161 44.936 45.100 -0.004 0.000 0.852 12 G HN 0.376 nan 8.290 nan 0.000 0.638 13 D N 1.810 122.231 120.400 0.035 0.000 2.277 13 D HA 0.505 5.146 4.640 0.001 0.000 0.250 13 D C -2.601 173.749 176.300 0.083 0.000 1.032 13 D CA -1.167 52.862 54.000 0.048 0.000 0.947 13 D CB 1.636 42.463 40.800 0.045 0.000 1.159 13 D HN -0.041 nan 8.370 nan 0.000 0.460 14 P HA 0.053 nan 4.420 nan 0.000 0.276 14 P C -0.237 177.168 177.300 0.175 0.000 1.253 14 P CA 0.097 63.278 63.100 0.135 0.000 0.766 14 P CB 0.324 32.100 31.700 0.125 0.000 0.845 15 H N 3.195 122.329 119.070 0.108 0.000 2.610 15 H HA 0.054 4.610 4.556 0.001 0.000 0.336 15 H C 1.251 176.653 175.328 0.123 0.000 1.087 15 H CA 0.056 56.168 56.048 0.107 0.000 1.405 15 H CB 1.449 31.267 29.762 0.094 0.000 1.460 15 H HN 0.141 nan 8.280 nan 0.000 0.538 16 V N 5.026 125.053 119.914 0.189 0.000 2.568 16 V HA -0.175 3.946 4.120 0.001 0.000 0.253 16 V C 2.059 178.348 176.094 0.324 0.000 1.072 16 V CA 2.393 64.796 62.300 0.171 0.000 1.084 16 V CB -0.680 31.089 31.823 -0.090 0.000 0.676 16 V HN 0.963 nan 8.190 nan 0.000 0.469 17 G N -1.128 108.026 108.800 0.590 0.000 2.432 17 G HA2 -0.219 3.741 3.960 0.001 0.000 0.219 17 G HA3 -0.219 3.741 3.960 0.001 0.000 0.219 17 G C 1.582 176.671 174.900 0.315 0.000 1.135 17 G CA 1.353 46.678 45.100 0.374 0.000 0.767 17 G HN 0.507 nan 8.290 nan 0.000 0.550 18 T N 1.420 116.137 114.554 0.273 0.000 2.821 18 T HA 0.092 4.443 4.350 0.001 0.000 0.267 18 T C 2.812 177.654 174.700 0.237 0.000 1.046 18 T CA 1.289 63.521 62.100 0.221 0.000 1.139 18 T CB -0.235 68.751 68.868 0.197 0.000 0.871 18 T HN 0.357 nan 8.240 nan 0.000 0.454 19 A N 0.779 123.753 122.820 0.256 0.000 1.898 19 A HA -0.063 4.258 4.320 0.001 0.000 0.216 19 A C 2.086 179.830 177.584 0.267 0.000 1.181 19 A CA 1.451 53.626 52.037 0.230 0.000 0.620 19 A CB -0.992 18.134 19.000 0.209 0.000 0.819 19 A HN 0.567 nan 8.150 nan 0.000 0.442 20 Y N 0.929 121.340 120.300 0.186 0.000 2.097 20 Y HA -0.226 4.325 4.550 0.002 0.000 0.282 20 Y C 1.963 178.049 175.900 0.310 0.000 1.152 20 Y CA 1.709 59.951 58.100 0.237 0.000 1.136 20 Y CB -0.302 38.280 38.460 0.203 0.000 0.975 20 Y HN 0.230 nan 8.280 nan 0.000 0.498 21 I N 0.747 121.354 120.570 0.062 0.000 2.315 21 I HA -0.230 3.941 4.170 0.001 0.000 0.248 21 I C 2.700 178.877 176.117 0.099 0.000 1.117 21 I CA 1.414 62.692 61.300 -0.036 0.000 1.404 21 I CB -2.048 35.993 38.000 0.068 0.000 1.071 21 I HN 0.392 nan 8.210 nan 0.000 0.419 22 A N 0.868 123.781 122.820 0.155 0.000 1.902 22 A HA -0.218 4.103 4.320 0.001 0.000 0.217 22 A C 2.331 179.899 177.584 -0.028 0.000 1.181 22 A CA 1.463 53.591 52.037 0.152 0.000 0.623 22 A CB -0.920 18.237 19.000 0.262 0.000 0.818 22 A HN 0.380 nan 8.150 nan 0.000 0.443 23 L N -1.410 119.835 121.223 0.037 0.000 2.012 23 L HA -0.129 4.212 4.340 0.001 0.000 0.210 23 L C 2.119 178.914 176.870 -0.126 0.000 1.073 23 L CA 2.094 56.899 54.840 -0.058 0.000 0.748 23 L CB -0.710 41.314 42.059 -0.058 0.000 0.891 23 L HN 0.348 nan 8.230 nan 0.000 0.431 24 F N -0.382 119.504 119.950 -0.106 0.000 2.325 24 F HA -0.073 4.455 4.527 0.001 0.000 0.299 24 F C 2.440 178.076 175.800 -0.273 0.000 1.090 24 F CA 0.967 58.844 58.000 -0.205 0.000 1.392 24 F CB -0.727 38.208 39.000 -0.109 0.000 1.053 24 F HN 0.209 nan 8.300 nan 0.000 0.521 25 N N -0.736 117.928 118.700 -0.061 0.000 2.188 25 N HA -0.226 4.515 4.740 0.001 0.000 0.184 25 N C 1.898 177.143 175.510 -0.443 0.000 1.018 25 N CA 1.114 54.083 53.050 -0.135 0.000 0.858 25 N CB -0.497 37.963 38.487 -0.044 0.000 0.989 25 N HN 0.347 nan 8.380 nan 0.000 0.426 26 Y N 1.748 121.522 120.300 -0.878 0.000 2.200 26 Y HA -0.104 4.447 4.550 0.001 0.000 0.290 26 Y C 2.363 177.979 175.900 -0.473 0.000 1.137 26 Y CA 1.703 59.292 58.100 -0.852 0.000 1.163 26 Y CB -0.321 37.721 38.460 -0.696 0.000 0.988 26 Y HN 0.028 nan 8.280 nan 0.000 0.518 27 A N 0.774 123.351 122.820 -0.405 0.000 1.902 27 A HA -0.235 4.086 4.320 0.001 0.000 0.217 27 A C 2.318 179.490 177.584 -0.686 0.000 1.181 27 A CA 1.459 53.103 52.037 -0.655 0.000 0.623 27 A CB -1.746 16.618 19.000 -1.061 0.000 0.818 27 A HN 0.870 nan 8.150 nan 0.000 0.443 28 W N 0.557 121.345 121.300 -0.852 0.000 2.363 28 W HA -0.148 4.513 4.660 0.001 0.000 0.296 28 W C 2.287 178.630 176.519 -0.293 0.000 1.212 28 W CA 1.395 58.433 57.345 -0.511 0.000 1.260 28 W CB -0.017 29.306 29.460 -0.228 0.000 1.131 28 W HN 0.441 nan 8.180 nan 0.000 0.530 29 A N 1.064 123.698 122.820 -0.310 0.000 1.855 29 A HA -0.194 4.127 4.320 0.001 0.000 0.215 29 A C 1.980 179.323 177.584 -0.401 0.000 1.191 29 A CA 1.405 53.245 52.037 -0.330 0.000 0.613 29 A CB -0.873 18.024 19.000 -0.172 0.000 0.829 29 A HN 0.133 nan 8.150 nan 0.000 0.442 30 R N -0.548 119.658 120.500 -0.491 0.000 2.096 30 R HA -0.097 4.243 4.340 0.001 0.000 0.235 30 R C 2.161 178.244 176.300 -0.362 0.000 1.127 30 R CA 1.623 57.452 56.100 -0.452 0.000 0.968 30 R CB -0.912 29.026 30.300 -0.603 0.000 0.861 30 R HN 0.538 nan 8.270 nan 0.000 0.440 31 R N 1.395 121.662 120.500 -0.388 0.000 2.127 31 R HA -0.018 4.322 4.340 0.001 0.000 0.238 31 R C 1.175 177.276 176.300 -0.331 0.000 1.134 31 R CA 1.454 57.369 56.100 -0.309 0.000 0.975 31 R CB -0.300 29.857 30.300 -0.237 0.000 0.865 31 R HN 0.212 nan 8.270 nan 0.000 0.447 32 N N -0.466 117.960 118.700 -0.456 0.000 2.270 32 N HA 0.091 4.832 4.740 0.001 0.000 0.198 32 N C 0.161 175.504 175.510 -0.279 0.000 1.117 32 N CA 0.835 53.633 53.050 -0.419 0.000 0.845 32 N CB 0.903 39.012 38.487 -0.629 0.000 0.980 32 N HN 0.430 nan 8.380 nan 0.000 0.486 33 G N 0.662 109.315 108.800 -0.245 0.000 2.225 33 G HA2 -0.239 3.722 3.960 0.001 0.000 0.267 33 G HA3 -0.239 3.722 3.960 0.001 0.000 0.267 33 G C 0.553 175.357 174.900 -0.160 0.000 1.024 33 G CA 0.473 45.467 45.100 -0.177 0.000 0.784 33 G HN 0.541 nan 8.290 nan 0.000 0.507 34 G N -1.049 107.635 108.800 -0.193 0.000 2.695 34 G HA2 0.739 4.700 3.960 0.001 0.000 0.213 34 G HA3 0.739 4.700 3.960 0.001 0.000 0.213 34 G C 0.061 174.907 174.900 -0.089 0.000 1.406 34 G CA -0.893 44.123 45.100 -0.140 0.000 1.049 34 G HN 0.528 nan 8.290 nan 0.000 0.573 35 R N -1.307 119.174 120.500 -0.033 0.000 2.803 35 R HA 0.518 4.859 4.340 0.001 0.000 0.276 35 R C -1.762 174.625 176.300 0.146 0.000 0.978 35 R CA -0.613 55.508 56.100 0.036 0.000 0.939 35 R CB 2.571 32.890 30.300 0.032 0.000 1.179 35 R HN 0.434 nan 8.270 nan 0.000 0.472 36 F N 4.476 124.427 119.950 0.003 0.000 2.499 36 F HA 0.525 5.053 4.527 0.001 0.000 0.333 36 F C -0.690 175.167 175.800 0.096 0.000 1.138 36 F CA -1.023 57.012 58.000 0.058 0.000 0.945 36 F CB 0.955 40.012 39.000 0.095 0.000 1.181 36 F HN 0.491 nan 8.300 nan 0.000 0.435 37 I N 4.275 124.695 120.570 -0.250 0.000 2.910 37 I HA 0.800 4.970 4.170 0.001 0.000 0.310 37 I C -1.711 174.097 176.117 -0.516 0.000 1.043 37 I CA -1.142 59.949 61.300 -0.349 0.000 1.053 37 I CB 2.126 40.073 38.000 -0.088 0.000 1.242 37 I HN 0.292 nan 8.210 nan 0.000 0.452 38 V N 3.744 123.372 119.914 -0.477 0.000 2.448 38 V HA 0.535 4.655 4.120 0.001 0.000 0.295 38 V C -0.206 175.793 176.094 -0.158 0.000 1.025 38 V CA -0.527 61.513 62.300 -0.434 0.000 0.859 38 V CB 1.481 32.841 31.823 -0.772 0.000 0.988 38 V HN 0.796 nan 8.190 nan 0.000 0.431 39 R N 5.031 125.503 120.500 -0.045 0.000 2.480 39 R HA 0.587 4.928 4.340 0.001 0.000 0.306 39 R C -1.335 174.982 176.300 0.028 0.000 0.958 39 R CA -0.743 55.397 56.100 0.066 0.000 0.861 39 R CB 1.294 31.643 30.300 0.081 0.000 1.171 39 R HN 0.546 nan 8.270 nan 0.000 0.445 40 I N 4.254 124.856 120.570 0.054 0.000 2.312 40 I HA 0.168 4.338 4.170 0.001 0.000 0.291 40 I C 0.067 176.224 176.117 0.067 0.000 1.031 40 I CA -0.170 61.161 61.300 0.051 0.000 1.293 40 I CB 1.417 39.457 38.000 0.066 0.000 1.403 40 I HN 0.657 nan 8.210 nan 0.000 0.484 41 E N 5.621 125.856 120.200 0.058 0.000 2.026 41 E HA 0.095 4.446 4.350 0.001 0.000 0.253 41 E C -0.394 176.257 176.600 0.085 0.000 1.056 41 E CA -0.177 56.259 56.400 0.060 0.000 0.927 41 E CB 0.473 30.197 29.700 0.039 0.000 1.172 41 E HN 0.461 nan 8.360 nan 0.000 0.445 42 D N 0.888 121.355 120.400 0.111 0.000 2.615 42 D HA -0.066 4.575 4.640 0.001 0.000 0.236 42 D C 1.153 177.551 176.300 0.164 0.000 1.233 42 D CA -0.227 53.865 54.000 0.154 0.000 0.829 42 D CB -0.011 40.905 40.800 0.193 0.000 1.024 42 D HN 0.206 nan 8.370 nan 0.000 0.490 43 T N -3.802 110.844 114.554 0.153 0.000 3.113 43 T HA -0.088 4.263 4.350 0.001 0.000 0.256 43 T C 0.658 175.488 174.700 0.216 0.000 1.131 43 T CA -0.204 62.035 62.100 0.231 0.000 1.074 43 T CB -0.134 68.865 68.868 0.219 0.000 0.944 43 T HN -0.030 nan 8.240 nan 0.000 0.516 44 D N 2.909 123.391 120.400 0.137 0.000 2.416 44 D HA 0.034 4.675 4.640 0.001 0.000 0.240 44 D C 1.415 177.762 176.300 0.080 0.000 1.250 44 D CA -0.509 53.540 54.000 0.080 0.000 0.967 44 D CB 0.446 41.292 40.800 0.077 0.000 1.059 44 D HN 0.523 nan 8.370 nan 0.000 0.512 45 R N 2.564 123.064 120.500 -0.001 0.000 2.346 45 R HA 0.097 4.438 4.340 0.001 0.000 0.199 45 R C 0.907 177.217 176.300 0.017 0.000 1.015 45 R CA 0.397 56.493 56.100 -0.008 0.000 1.058 45 R CB 0.026 30.246 30.300 -0.132 0.000 0.921 45 R HN 0.226 nan 8.270 nan 0.000 0.475 46 A N 1.221 124.055 122.820 0.024 0.000 2.108 46 A HA 0.183 4.504 4.320 0.001 0.000 0.206 46 A C 1.692 179.310 177.584 0.058 0.000 1.212 46 A CA -0.218 51.835 52.037 0.027 0.000 0.843 46 A CB 0.279 19.279 19.000 -0.001 0.000 0.902 46 A HN 0.225 nan 8.150 nan 0.000 0.477 47 R N -1.519 119.027 120.500 0.077 0.000 2.393 47 R HA 0.159 4.500 4.340 0.001 0.000 0.244 47 R C -0.514 175.842 176.300 0.094 0.000 0.920 47 R CA -0.345 55.797 56.100 0.071 0.000 1.076 47 R CB -0.028 30.306 30.300 0.057 0.000 1.119 47 R HN 0.544 nan 8.270 nan 0.000 0.524 48 Y N 1.203 121.517 120.300 0.024 0.000 2.465 48 Y HA 0.094 4.644 4.550 0.001 0.000 0.331 48 Y C -0.460 175.457 175.900 0.028 0.000 1.102 48 Y CA -0.013 58.106 58.100 0.031 0.000 1.358 48 Y CB 0.676 39.157 38.460 0.036 0.000 1.213 48 Y HN -0.296 nan 8.280 nan 0.000 0.525 49 V N 9.637 129.152 119.914 -0.664 0.000 2.409 49 V HA 0.279 4.399 4.120 0.001 0.000 0.290 49 V C -2.145 173.534 176.094 -0.692 0.000 1.017 49 V CA -2.037 59.974 62.300 -0.482 0.000 0.841 49 V CB 1.447 33.140 31.823 -0.217 0.000 1.003 49 V HN 0.758 nan 8.190 nan 0.000 0.426 50 P HA 0.080 nan 4.420 nan 0.000 0.261 50 P C 0.970 178.171 177.300 -0.166 0.000 1.173 50 P CA 1.563 64.498 63.100 -0.275 0.000 0.760 50 P CB 0.772 32.470 31.700 -0.003 0.000 0.783 51 G N 2.800 111.536 108.800 -0.107 0.000 2.217 51 G HA2 -0.333 3.628 3.960 0.001 0.000 0.246 51 G HA3 -0.333 3.628 3.960 0.001 0.000 0.246 51 G C 1.113 175.977 174.900 -0.060 0.000 0.990 51 G CA 0.578 45.646 45.100 -0.054 0.000 0.627 51 G HN 0.712 nan 8.290 nan 0.000 0.522 52 A N 0.529 123.280 122.820 -0.116 0.000 1.902 52 A HA 0.113 4.433 4.320 0.001 0.000 0.217 52 A C 1.996 179.567 177.584 -0.022 0.000 1.181 52 A CA 2.435 54.428 52.037 -0.074 0.000 0.623 52 A CB -0.473 18.460 19.000 -0.113 0.000 0.818 52 A HN 0.799 nan 8.150 nan 0.000 0.443 53 E N -0.149 120.043 120.200 -0.015 0.000 2.058 53 E HA -0.274 4.076 4.350 0.001 0.000 0.194 53 E C 1.814 178.434 176.600 0.032 0.000 0.997 53 E CA 1.670 58.087 56.400 0.028 0.000 0.801 53 E CB -0.161 29.577 29.700 0.063 0.000 0.746 53 E HN 0.599 nan 8.360 nan 0.000 0.450 54 E N 0.346 120.564 120.200 0.031 0.000 2.118 54 E HA -0.161 4.190 4.350 0.001 0.000 0.195 54 E C 2.157 178.780 176.600 0.039 0.000 0.992 54 E CA 1.225 57.648 56.400 0.039 0.000 0.804 54 E CB -0.083 29.636 29.700 0.032 0.000 0.741 54 E HN 0.241 nan 8.360 nan 0.000 0.458 55 R N -0.076 120.439 120.500 0.025 0.000 2.115 55 R HA -0.002 4.339 4.340 0.001 0.000 0.230 55 R C 2.270 178.603 176.300 0.055 0.000 1.111 55 R CA 1.019 57.135 56.100 0.026 0.000 0.976 55 R CB -0.264 30.042 30.300 0.011 0.000 0.870 55 R HN 0.219 nan 8.270 nan 0.000 0.445 56 I N 0.763 121.369 120.570 0.059 0.000 2.202 56 I HA -0.274 3.897 4.170 0.001 0.000 0.242 56 I C 2.140 178.313 176.117 0.093 0.000 1.091 56 I CA 1.279 62.627 61.300 0.081 0.000 1.368 56 I CB -0.240 37.797 38.000 0.062 0.000 1.058 56 I HN 0.124 nan 8.210 nan 0.000 0.410 57 L N 0.574 121.842 121.223 0.075 0.000 2.046 57 L HA -0.204 4.137 4.340 0.001 0.000 0.208 57 L C 2.856 179.834 176.870 0.180 0.000 1.077 57 L CA 1.372 56.282 54.840 0.117 0.000 0.747 57 L CB -0.816 41.312 42.059 0.115 0.000 0.896 57 L HN 0.247 nan 8.230 nan 0.000 0.432 58 A N 0.071 122.972 122.820 0.134 0.000 1.933 58 A HA -0.125 4.196 4.320 0.001 0.000 0.218 58 A C 2.540 180.239 177.584 0.191 0.000 1.175 58 A CA 1.643 53.760 52.037 0.134 0.000 0.628 58 A CB -0.623 18.421 19.000 0.072 0.000 0.814 58 A HN 0.395 nan 8.150 nan 0.000 0.444 59 A N -0.243 122.689 122.820 0.186 0.000 1.930 59 A HA 0.001 4.322 4.320 0.001 0.000 0.217 59 A C 2.151 179.938 177.584 0.338 0.000 1.175 59 A CA 1.386 53.596 52.037 0.288 0.000 0.627 59 A CB -0.566 18.571 19.000 0.228 0.000 0.815 59 A HN 0.469 nan 8.150 nan 0.000 0.443 60 L N -0.686 120.688 121.223 0.250 0.000 2.017 60 L HA -0.224 4.117 4.340 0.001 0.000 0.208 60 L C 2.579 179.565 176.870 0.194 0.000 1.073 60 L CA 1.868 56.843 54.840 0.225 0.000 0.745 60 L CB -0.448 41.764 42.059 0.254 0.000 0.894 60 L HN 0.350 nan 8.230 nan 0.000 0.432 61 K N -1.096 119.435 120.400 0.217 0.000 2.097 61 K HA -0.233 4.087 4.320 0.001 0.000 0.205 61 K C 1.896 178.588 176.600 0.154 0.000 1.050 61 K CA 1.626 58.001 56.287 0.147 0.000 0.938 61 K CB -0.356 32.225 32.500 0.134 0.000 0.718 61 K HN 0.290 nan 8.250 nan 0.000 0.442 62 W N 1.823 123.143 121.300 0.034 0.000 2.342 62 W HA -0.140 4.521 4.660 0.001 0.000 0.297 62 W C 1.168 177.691 176.519 0.007 0.000 1.213 62 W CA 1.198 58.558 57.345 0.025 0.000 1.251 62 W CB -0.188 29.298 29.460 0.044 0.000 1.136 62 W HN -0.071 nan 8.180 nan 0.000 0.526 63 L N 0.762 121.934 121.223 -0.084 0.000 2.610 63 L HA 0.140 4.481 4.340 0.001 0.000 0.232 63 L C 1.961 178.670 176.870 -0.269 0.000 1.149 63 L CA 0.953 55.606 54.840 -0.311 0.000 0.872 63 L CB -0.992 40.992 42.059 -0.125 0.000 0.992 63 L HN 0.360 nan 8.230 nan 0.000 0.447 64 G N -0.204 108.486 108.800 -0.184 0.000 2.157 64 G HA2 -0.243 3.717 3.960 0.001 0.000 0.239 64 G HA3 -0.243 3.717 3.960 0.001 0.000 0.239 64 G C 0.203 174.965 174.900 -0.229 0.000 0.982 64 G CA -0.224 44.771 45.100 -0.176 0.000 0.650 64 G HN 0.205 nan 8.290 nan 0.000 0.527 65 L N 0.311 121.394 121.223 -0.234 0.000 2.439 65 L HA 0.795 5.136 4.340 0.001 0.000 0.259 65 L C 0.710 177.521 176.870 -0.099 0.000 1.129 65 L CA -0.293 54.310 54.840 -0.395 0.000 0.803 65 L CB 1.744 43.650 42.059 -0.255 0.000 1.161 65 L HN 0.230 nan 8.230 nan 0.000 0.462 66 S N -0.268 115.455 115.700 0.039 0.000 2.556 66 S HA 0.698 5.169 4.470 0.001 0.000 0.271 66 S C -1.424 173.391 174.600 0.358 0.000 1.135 66 S CA -0.571 57.693 58.200 0.106 0.000 0.858 66 S CB 1.375 64.616 63.200 0.068 0.000 1.114 66 S HN 0.421 nan 8.310 nan 0.000 0.468 67 Y N 0.488 120.869 120.300 0.135 0.000 2.602 67 Y HA 0.688 5.239 4.550 0.001 0.000 0.342 67 Y C 0.112 175.979 175.900 -0.056 0.000 1.029 67 Y CA -1.082 57.017 58.100 -0.001 0.000 1.080 67 Y CB 0.616 38.859 38.460 -0.361 0.000 1.284 67 Y HN 0.434 nan 8.280 nan 0.000 0.485 68 D N -0.063 120.369 120.400 0.053 0.000 2.392 68 D HA 0.125 4.766 4.640 0.001 0.000 0.206 68 D C -0.526 175.724 176.300 -0.082 0.000 1.046 68 D CA 0.586 54.570 54.000 -0.027 0.000 0.865 68 D CB 0.736 41.536 40.800 0.001 0.000 0.969 68 D HN 0.726 nan 8.370 nan 0.000 0.509 69 E N -0.546 119.583 120.200 -0.119 0.000 2.343 69 E HA 0.631 4.982 4.350 0.001 0.000 0.278 69 E C -0.449 175.830 176.600 -0.536 0.000 0.910 69 E CA -0.842 55.323 56.400 -0.391 0.000 0.757 69 E CB 2.900 32.350 29.700 -0.416 0.000 1.218 69 E HN 0.067 nan 8.360 nan 0.000 0.435 70 G N 1.275 109.582 108.800 -0.821 0.000 2.320 70 G HA2 0.196 4.157 3.960 0.001 0.000 0.296 70 G HA3 0.196 4.157 3.960 0.001 0.000 0.296 70 G C -2.700 172.061 174.900 -0.232 0.000 1.306 70 G CA -0.825 43.955 45.100 -0.532 0.000 0.836 70 G HN 0.269 nan 8.290 nan 0.000 0.517 71 P HA -0.020 nan 4.420 nan 0.000 0.215 71 P C 1.193 178.543 177.300 0.082 0.000 1.153 71 P CA 2.039 65.198 63.100 0.098 0.000 0.853 71 P CB 0.170 31.916 31.700 0.078 0.000 0.788 72 D N -1.338 119.112 120.400 0.084 0.000 2.277 72 D HA -0.043 4.597 4.640 0.001 0.000 0.209 72 D C 1.896 178.227 176.300 0.052 0.000 0.970 72 D CA 0.552 54.600 54.000 0.080 0.000 0.874 72 D CB -1.238 39.621 40.800 0.098 0.000 0.982 72 D HN 0.061 nan 8.370 nan 0.000 0.504 73 V N -0.176 119.767 119.914 0.049 0.000 3.235 73 V HA 0.333 4.454 4.120 0.001 0.000 0.259 73 V C 1.140 177.211 176.094 -0.039 0.000 1.133 73 V CA 1.437 63.727 62.300 -0.017 0.000 1.128 73 V CB -0.729 31.055 31.823 -0.065 0.000 0.757 73 V HN 0.630 nan 8.190 nan 0.000 0.469 74 G N -0.554 108.219 108.800 -0.044 0.000 2.632 74 G HA2 0.356 4.317 3.960 0.001 0.000 0.224 74 G HA3 0.356 4.317 3.960 0.001 0.000 0.224 74 G C 0.272 175.117 174.900 -0.091 0.000 1.341 74 G CA -0.535 44.568 45.100 0.006 0.000 0.880 74 G HN 1.874 nan 8.290 nan 0.000 0.566 75 G N -2.334 106.520 108.800 0.089 0.000 2.328 75 G HA2 0.722 4.683 3.960 0.001 0.000 0.299 75 G HA3 0.722 4.683 3.960 0.001 0.000 0.299 75 G C -1.677 173.287 174.900 0.106 0.000 1.435 75 G CA 0.746 45.889 45.100 0.073 0.000 0.865 75 G HN 1.123 nan 8.290 nan 0.000 0.601 76 P HA 0.099 nan 4.420 nan 0.000 0.236 76 P C 0.028 177.069 177.300 -0.432 0.000 1.177 76 P CA 0.872 63.775 63.100 -0.330 0.000 0.773 76 P CB 0.194 31.573 31.700 -0.534 0.000 0.878 77 H N -0.593 118.526 119.070 0.081 0.000 2.562 77 H HA 0.399 4.956 4.556 0.001 0.000 0.249 77 H C 1.130 176.186 175.328 -0.452 0.000 1.195 77 H CA -0.493 55.488 56.048 -0.113 0.000 0.938 77 H CB 0.171 29.882 29.762 -0.085 0.000 1.891 77 H HN 0.066 nan 8.280 nan 0.000 0.595 78 G N 1.438 109.985 108.800 -0.423 0.000 2.588 78 G HA2 0.308 4.269 3.960 0.001 0.000 0.278 78 G HA3 0.308 4.269 3.960 0.001 0.000 0.278 78 G C -1.994 172.693 174.900 -0.356 0.000 1.307 78 G CA -0.939 43.710 45.100 -0.752 0.000 1.016 78 G HN 0.066 nan 8.290 nan 0.000 0.503 79 P HA 0.168 nan 4.420 nan 0.000 0.270 79 P C -0.730 176.333 177.300 -0.395 0.000 1.223 79 P CA 0.068 63.037 63.100 -0.219 0.000 0.785 79 P CB 0.374 32.014 31.700 -0.100 0.000 0.923 80 Y N -0.303 119.997 120.300 0.000 0.000 2.524 80 Y HA 0.244 4.795 4.550 0.001 0.000 0.266 80 Y C 0.979 176.882 175.900 0.004 0.000 1.180 80 Y CA 0.109 58.207 58.100 -0.004 0.000 1.244 80 Y CB 0.351 38.800 38.460 -0.018 0.000 1.125 80 Y HN 0.034 nan 8.280 nan 0.000 0.524 81 R N 0.476 121.025 120.500 0.082 0.000 2.480 81 R HA 0.221 4.562 4.340 0.001 0.000 0.306 81 R C 0.593 176.933 176.300 0.067 0.000 0.958 81 R CA -0.373 55.776 56.100 0.082 0.000 0.861 81 R CB 1.374 31.723 30.300 0.081 0.000 1.171 81 R HN 0.328 nan 8.270 nan 0.000 0.445 82 Q N 0.417 120.277 119.800 0.100 0.000 2.291 82 Q HA -0.124 4.217 4.340 0.001 0.000 0.205 82 Q C 1.587 177.679 176.000 0.152 0.000 0.970 82 Q CA 1.758 57.664 55.803 0.171 0.000 0.876 82 Q CB 0.180 29.009 28.738 0.152 0.000 0.935 82 Q HN 0.660 nan 8.270 nan 0.000 0.455 83 S N 0.382 116.135 115.700 0.089 0.000 2.474 83 S HA -0.120 4.351 4.470 0.001 0.000 0.235 83 S C 1.214 175.811 174.600 -0.005 0.000 0.997 83 S CA 0.825 59.052 58.200 0.044 0.000 0.949 83 S CB -0.019 63.206 63.200 0.041 0.000 0.766 83 S HN 0.371 nan 8.310 nan 0.000 0.517 84 E N 0.967 121.165 120.200 -0.004 0.000 2.481 84 E HA 0.132 4.483 4.350 0.001 0.000 0.198 84 E C 0.933 177.479 176.600 -0.090 0.000 1.027 84 E CA -0.137 56.238 56.400 -0.041 0.000 0.900 84 E CB 0.243 29.927 29.700 -0.026 0.000 0.993 84 E HN 0.666 nan 8.360 nan 0.000 0.482 85 R N 0.278 120.709 120.500 -0.116 0.000 2.616 85 R HA 0.259 4.600 4.340 0.001 0.000 0.427 85 R C 1.227 177.249 176.300 -0.464 0.000 1.030 85 R CA -0.145 55.789 56.100 -0.277 0.000 1.133 85 R CB -0.208 29.894 30.300 -0.330 0.000 1.444 85 R HN 0.046 nan 8.270 nan 0.000 0.578 86 L N 1.091 122.177 121.223 -0.227 0.000 2.081 86 L HA -0.120 4.221 4.340 0.001 0.000 0.212 86 L C -0.611 176.138 176.870 -0.201 0.000 1.080 86 L CA 1.725 56.468 54.840 -0.161 0.000 0.754 86 L CB -1.306 40.612 42.059 -0.235 0.000 0.893 86 L HN 0.108 nan 8.230 nan 0.000 0.433 87 P HA -0.148 nan 4.420 nan 0.000 0.218 87 P C 1.908 179.104 177.300 -0.174 0.000 1.149 87 P CA 1.139 64.149 63.100 -0.149 0.000 0.817 87 P CB 0.114 31.739 31.700 -0.125 0.000 0.785 88 L N -2.159 118.882 121.223 -0.303 0.000 1.994 88 L HA -0.224 4.117 4.340 0.001 0.000 0.208 88 L C 2.436 179.269 176.870 -0.062 0.000 1.071 88 L CA 1.729 56.429 54.840 -0.233 0.000 0.745 88 L CB -1.206 40.639 42.059 -0.357 0.000 0.892 88 L HN 0.009 nan 8.230 nan 0.000 0.431 89 Y N 0.255 120.616 120.300 0.101 0.000 2.207 89 Y HA -0.272 4.278 4.550 0.001 0.000 0.287 89 Y C 2.733 178.696 175.900 0.106 0.000 1.156 89 Y CA 0.952 59.119 58.100 0.112 0.000 1.182 89 Y CB -1.018 37.458 38.460 0.025 0.000 0.979 89 Y HN 0.275 nan 8.280 nan 0.000 0.521 90 Q N 0.318 120.204 119.800 0.143 0.000 2.079 90 Q HA -0.157 4.184 4.340 0.001 0.000 0.200 90 Q C 2.070 178.106 176.000 0.060 0.000 0.974 90 Q CA 1.412 57.267 55.803 0.087 0.000 0.840 90 Q CB -0.233 28.523 28.738 0.030 0.000 0.898 90 Q HN 0.492 nan 8.270 nan 0.000 0.430 91 K N -0.101 120.295 120.400 -0.006 0.000 2.097 91 K HA -0.137 4.184 4.320 0.001 0.000 0.205 91 K C 1.776 178.314 176.600 -0.103 0.000 1.050 91 K CA 1.202 57.432 56.287 -0.095 0.000 0.938 91 K CB -0.075 32.298 32.500 -0.211 0.000 0.718 91 K HN 0.228 nan 8.250 nan 0.000 0.442 92 Y N 0.593 120.945 120.300 0.085 0.000 2.314 92 Y HA -0.132 4.419 4.550 0.001 0.000 0.293 92 Y C 2.414 178.466 175.900 0.252 0.000 1.129 92 Y CA 0.812 59.013 58.100 0.168 0.000 1.201 92 Y CB -0.068 38.444 38.460 0.088 0.000 0.999 92 Y HN 0.084 nan 8.280 nan 0.000 0.541 93 A N 0.272 123.271 122.820 0.298 0.000 1.930 93 A HA -0.187 4.133 4.320 0.001 0.000 0.217 93 A C 1.986 179.649 177.584 0.133 0.000 1.175 93 A CA 1.720 53.875 52.037 0.196 0.000 0.627 93 A CB -0.469 18.615 19.000 0.140 0.000 0.815 93 A HN 0.489 nan 8.150 nan 0.000 0.443 94 E N -0.679 119.583 120.200 0.104 0.000 2.106 94 E HA -0.215 4.135 4.350 0.001 0.000 0.192 94 E C 1.994 178.638 176.600 0.074 0.000 0.984 94 E CA 1.181 57.624 56.400 0.071 0.000 0.806 94 E CB -0.109 29.614 29.700 0.039 0.000 0.750 94 E HN 0.671 nan 8.360 nan 0.000 0.458 95 E N 1.404 121.660 120.200 0.093 0.000 2.110 95 E HA -0.155 4.196 4.350 0.001 0.000 0.193 95 E C 1.940 178.600 176.600 0.100 0.000 0.988 95 E CA 0.956 57.420 56.400 0.107 0.000 0.804 95 E CB -0.200 29.605 29.700 0.175 0.000 0.745 95 E HN 0.215 nan 8.360 nan 0.000 0.458 96 L N -0.168 121.108 121.223 0.088 0.000 2.093 96 L HA -0.128 4.213 4.340 0.001 0.000 0.208 96 L C 2.515 179.434 176.870 0.081 0.000 1.085 96 L CA 0.765 55.608 54.840 0.005 0.000 0.755 96 L CB -0.402 41.608 42.059 -0.082 0.000 0.904 96 L HN 0.211 nan 8.230 nan 0.000 0.435 97 L N -0.402 120.869 121.223 0.080 0.000 2.046 97 L HA -0.219 4.121 4.340 0.001 0.000 0.208 97 L C 2.608 179.522 176.870 0.072 0.000 1.077 97 L CA 1.118 56.007 54.840 0.083 0.000 0.747 97 L CB -0.359 41.746 42.059 0.076 0.000 0.896 97 L HN 0.142 nan 8.230 nan 0.000 0.432 98 K N 0.128 120.567 120.400 0.066 0.000 2.147 98 K HA -0.111 4.210 4.320 0.001 0.000 0.205 98 K C 2.024 178.660 176.600 0.060 0.000 1.049 98 K CA 1.249 57.569 56.287 0.055 0.000 0.936 98 K CB -0.166 32.364 32.500 0.050 0.000 0.722 98 K HN 0.200 nan 8.250 nan 0.000 0.446 99 R N -1.128 119.424 120.500 0.086 0.000 2.299 99 R HA 0.103 4.444 4.340 0.001 0.000 0.197 99 R C 0.794 177.142 176.300 0.079 0.000 0.971 99 R CA 0.671 56.843 56.100 0.120 0.000 1.030 99 R CB 0.266 30.692 30.300 0.209 0.000 0.932 99 R HN 0.354 nan 8.270 nan 0.000 0.477 100 G N -0.239 108.589 108.800 0.047 0.000 2.143 100 G HA2 -0.243 3.718 3.960 0.001 0.000 0.249 100 G HA3 -0.243 3.718 3.960 0.001 0.000 0.249 100 G C 0.167 175.006 174.900 -0.102 0.000 0.981 100 G CA 0.056 45.131 45.100 -0.042 0.000 0.665 100 G HN 0.489 nan 8.290 nan 0.000 0.528 101 W N 0.732 122.003 121.300 -0.048 0.000 3.278 101 W HA 0.677 5.338 4.660 0.001 0.000 0.308 101 W C 1.078 177.577 176.519 -0.033 0.000 1.253 101 W CA 0.643 57.943 57.345 -0.074 0.000 1.759 101 W CB 0.587 29.934 29.460 -0.189 0.000 1.093 101 W HN 0.742 nan 8.180 nan 0.000 0.648 102 A N -0.108 122.837 122.820 0.207 0.000 2.609 102 A HA 0.752 5.073 4.320 0.001 0.000 0.291 102 A C -1.829 175.900 177.584 0.242 0.000 1.096 102 A CA -0.674 51.466 52.037 0.172 0.000 0.684 102 A CB 1.058 20.096 19.000 0.063 0.000 1.282 102 A HN 0.258 nan 8.150 nan 0.000 0.412 103 Y N -1.359 118.966 120.300 0.041 0.000 2.609 103 Y HA 0.780 5.330 4.550 0.001 0.000 0.336 103 Y C -0.536 175.373 175.900 0.016 0.000 1.129 103 Y CA -1.199 56.923 58.100 0.036 0.000 1.040 103 Y CB 1.081 39.568 38.460 0.046 0.000 1.310 103 Y HN 0.671 nan 8.280 nan 0.000 0.460 104 R N 1.790 122.337 120.500 0.078 0.000 2.308 104 R HA 0.780 5.120 4.340 0.001 0.000 0.305 104 R C -0.949 175.246 176.300 -0.175 0.000 1.053 104 R CA -0.529 55.479 56.100 -0.154 0.000 0.957 104 R CB 1.396 31.511 30.300 -0.308 0.000 1.022 104 R HN 0.835 nan 8.270 nan 0.000 0.461 105 A N 2.886 125.493 122.820 -0.356 0.000 2.330 105 A HA 0.503 4.824 4.320 0.001 0.000 0.313 105 A C -0.534 176.847 177.584 -0.339 0.000 1.124 105 A CA -0.695 51.248 52.037 -0.156 0.000 0.774 105 A CB 0.442 19.373 19.000 -0.114 0.000 1.198 105 A HN 0.756 nan 8.150 nan 0.000 0.465 106 F N 0.383 120.394 119.950 0.103 0.000 2.664 106 F HA 0.214 4.742 4.527 0.001 0.000 0.303 106 F C 0.588 176.424 175.800 0.060 0.000 1.092 106 F CA -0.203 57.853 58.000 0.093 0.000 1.305 106 F CB 0.005 39.051 39.000 0.076 0.000 1.054 106 F HN 0.536 nan 8.300 nan 0.000 0.565 107 E N 0.986 121.287 120.200 0.170 0.000 2.442 107 E HA 0.099 4.450 4.350 0.001 0.000 0.262 107 E C 0.813 177.454 176.600 0.068 0.000 1.004 107 E CA 0.149 56.620 56.400 0.118 0.000 0.928 107 E CB 0.299 30.055 29.700 0.093 0.000 0.937 107 E HN 0.186 nan 8.360 nan 0.000 0.446 108 T N 0.010 114.607 114.554 0.072 0.000 2.816 108 T HA 0.213 4.564 4.350 0.001 0.000 0.282 108 T C -1.816 172.903 174.700 0.030 0.000 0.993 108 T CA -1.725 60.404 62.100 0.049 0.000 0.994 108 T CB 1.043 69.941 68.868 0.051 0.000 1.025 108 T HN 0.135 nan 8.240 nan 0.000 0.529 109 P HA -0.049 nan 4.420 nan 0.000 0.216 109 P C 1.219 178.534 177.300 0.024 0.000 1.150 109 P CA 0.937 64.044 63.100 0.013 0.000 0.837 109 P CB 0.045 31.750 31.700 0.007 0.000 0.786 110 E N -0.230 119.987 120.200 0.029 0.000 2.077 110 E HA -0.180 4.171 4.350 0.001 0.000 0.193 110 E C 1.930 178.555 176.600 0.043 0.000 0.989 110 E CA 1.185 57.605 56.400 0.032 0.000 0.800 110 E CB -0.715 29.003 29.700 0.030 0.000 0.746 110 E HN 0.407 nan 8.360 nan 0.000 0.452 111 E N 0.205 120.437 120.200 0.053 0.000 2.077 111 E HA -0.132 4.219 4.350 0.001 0.000 0.193 111 E C 2.083 178.737 176.600 0.089 0.000 0.989 111 E CA 0.736 57.180 56.400 0.072 0.000 0.800 111 E CB -0.128 29.625 29.700 0.088 0.000 0.746 111 E HN 0.219 nan 8.360 nan 0.000 0.452 112 L N 0.796 122.065 121.223 0.078 0.000 2.083 112 L HA -0.206 4.135 4.340 0.001 0.000 0.209 112 L C 2.593 179.513 176.870 0.084 0.000 1.083 112 L CA 1.080 55.974 54.840 0.091 0.000 0.752 112 L CB -0.297 41.780 42.059 0.031 0.000 0.899 112 L HN 0.128 nan 8.230 nan 0.000 0.433 113 E N 0.068 120.302 120.200 0.057 0.000 2.072 113 E HA -0.260 4.091 4.350 0.001 0.000 0.191 113 E C 2.175 178.805 176.600 0.050 0.000 0.985 113 E CA 1.216 57.644 56.400 0.047 0.000 0.801 113 E CB -0.131 29.589 29.700 0.033 0.000 0.750 113 E HN 0.267 nan 8.360 nan 0.000 0.452 114 Q N 0.481 120.313 119.800 0.053 0.000 2.050 114 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 114 Q C 2.307 178.339 176.000 0.055 0.000 0.980 114 Q CA 1.672 57.503 55.803 0.048 0.000 0.840 114 Q CB -0.281 28.485 28.738 0.046 0.000 0.898 114 Q HN 0.487 nan 8.270 nan 0.000 0.424 115 I N 0.438 121.056 120.570 0.080 0.000 2.226 115 I HA -0.282 3.889 4.170 0.001 0.000 0.245 115 I C 2.807 178.968 176.117 0.073 0.000 1.100 115 I CA 1.411 62.762 61.300 0.086 0.000 1.374 115 I CB -0.381 37.713 38.000 0.157 0.000 1.057 115 I HN 0.192 nan 8.210 nan 0.000 0.413 116 R N 1.316 121.868 120.500 0.086 0.000 2.091 116 R HA -0.176 4.164 4.340 0.001 0.000 0.238 116 R C 2.206 178.533 176.300 0.044 0.000 1.136 116 R CA 1.377 57.519 56.100 0.070 0.000 0.959 116 R CB 0.012 30.354 30.300 0.069 0.000 0.856 116 R HN 0.110 nan 8.270 nan 0.000 0.437 117 K N 0.454 120.877 120.400 0.038 0.000 2.217 117 K HA -0.139 4.181 4.320 0.001 0.000 0.202 117 K C 1.783 178.396 176.600 0.021 0.000 1.051 117 K CA 1.319 57.622 56.287 0.026 0.000 0.952 117 K CB -0.001 32.513 32.500 0.024 0.000 0.736 117 K HN 0.461 nan 8.250 nan 0.000 0.453 118 E N 0.467 120.681 120.200 0.022 0.000 2.102 118 E HA -0.069 4.282 4.350 0.001 0.000 0.190 118 E C 1.230 177.834 176.600 0.007 0.000 0.971 118 E CA 0.706 57.114 56.400 0.013 0.000 0.821 118 E CB 0.403 30.111 29.700 0.013 0.000 0.777 118 E HN -0.056 nan 8.360 nan 0.000 0.460 119 K N -1.143 119.262 120.400 0.008 0.000 2.367 119 K HA 0.175 4.496 4.320 0.001 0.000 0.195 119 K C 1.055 177.659 176.600 0.007 0.000 1.060 119 K CA 0.807 57.093 56.287 -0.002 0.000 1.022 119 K CB 1.520 34.008 32.500 -0.020 0.000 0.894 119 K HN 0.284 nan 8.250 nan 0.000 0.540 120 G N 0.691 109.503 108.800 0.019 0.000 2.176 120 G HA2 -0.171 3.790 3.960 0.001 0.000 0.232 120 G HA3 -0.171 3.790 3.960 0.001 0.000 0.232 120 G C 0.380 175.302 174.900 0.036 0.000 0.986 120 G CA 0.175 45.289 45.100 0.023 0.000 0.643 120 G HN 0.687 nan 8.290 nan 0.000 0.522 121 G N -1.792 107.038 108.800 0.050 0.000 2.313 121 G HA2 0.533 4.494 3.960 0.001 0.000 0.296 121 G HA3 0.533 4.494 3.960 0.001 0.000 0.296 121 G C -0.980 173.993 174.900 0.122 0.000 1.356 121 G CA 0.016 45.167 45.100 0.085 0.000 0.833 121 G HN 1.344 nan 8.290 nan 0.000 0.552 122 Y N 1.708 122.030 120.300 0.037 0.000 2.526 122 Y HA 0.331 4.882 4.550 0.001 0.000 0.330 122 Y C 1.427 177.359 175.900 0.053 0.000 1.156 122 Y CA 0.454 58.584 58.100 0.051 0.000 1.419 122 Y CB 1.197 39.696 38.460 0.065 0.000 1.250 122 Y HN 0.555 nan 8.280 nan 0.000 0.540 123 D N 2.703 122.754 120.400 -0.582 0.000 2.340 123 D HA 0.120 4.760 4.640 0.001 0.000 0.217 123 D C 1.431 177.419 176.300 -0.520 0.000 1.081 123 D CA 0.437 54.183 54.000 -0.424 0.000 0.842 123 D CB -0.363 40.280 40.800 -0.261 0.000 0.934 123 D HN 0.888 nan 8.370 nan 0.000 0.511 124 G N 2.135 110.368 108.800 -0.946 0.000 2.160 124 G HA2 -0.442 3.519 3.960 0.001 0.000 0.251 124 G HA3 -0.442 3.519 3.960 0.001 0.000 0.251 124 G C 1.156 175.869 174.900 -0.312 0.000 1.008 124 G CA 0.542 45.413 45.100 -0.380 0.000 0.724 124 G HN 0.597 nan 8.290 nan 0.000 0.514 125 R N -0.497 119.786 120.500 -0.362 0.000 2.159 125 R HA 0.181 4.522 4.340 0.001 0.000 0.237 125 R C 2.562 178.864 176.300 0.002 0.000 1.131 125 R CA 1.824 57.846 56.100 -0.131 0.000 0.982 125 R CB -0.558 29.696 30.300 -0.077 0.000 0.868 125 R HN 0.868 nan 8.270 nan 0.000 0.453 126 A N 1.623 124.557 122.820 0.191 0.000 2.121 126 A HA -0.047 4.274 4.320 0.001 0.000 0.218 126 A C 1.957 179.545 177.584 0.008 0.000 1.154 126 A CA 0.821 53.015 52.037 0.263 0.000 0.679 126 A CB -0.372 18.971 19.000 0.570 0.000 0.795 126 A HN 0.365 nan 8.150 nan 0.000 0.458 127 R N 0.035 120.319 120.500 -0.361 0.000 2.241 127 R HA -0.040 4.301 4.340 0.001 0.000 0.224 127 R C 0.630 176.805 176.300 -0.207 0.000 1.101 127 R CA 1.060 56.851 56.100 -0.515 0.000 0.995 127 R CB -0.120 29.804 30.300 -0.628 0.000 0.870 127 R HN 0.446 nan 8.270 nan 0.000 0.463 128 N N 0.298 118.926 118.700 -0.119 0.000 2.336 128 N HA 0.076 4.817 4.740 0.001 0.000 0.189 128 N C 0.009 175.505 175.510 -0.023 0.000 1.113 128 N CA 0.358 53.367 53.050 -0.068 0.000 0.858 128 N CB 0.462 38.912 38.487 -0.061 0.000 0.970 128 N HN 0.168 nan 8.380 nan 0.000 0.471 129 I N 2.199 122.777 120.570 0.015 0.000 2.441 129 I HA 0.150 4.321 4.170 0.001 0.000 0.287 129 I C -2.006 174.126 176.117 0.026 0.000 1.049 129 I CA -1.799 59.524 61.300 0.039 0.000 1.381 129 I CB 0.783 38.850 38.000 0.112 0.000 1.409 129 I HN -0.318 nan 8.210 nan 0.000 0.523 130 P HA 0.041 nan 4.420 nan 0.000 0.263 130 P C -2.032 175.281 177.300 0.023 0.000 1.195 130 P CA -0.761 62.341 63.100 0.003 0.000 0.762 130 P CB 0.171 31.866 31.700 -0.008 0.000 0.799 131 P HA -0.270 nan 4.420 nan 0.000 0.216 131 P C 1.383 178.707 177.300 0.040 0.000 1.157 131 P CA 1.648 64.775 63.100 0.044 0.000 0.880 131 P CB -0.165 31.553 31.700 0.030 0.000 0.791 132 E N 0.023 120.235 120.200 0.021 0.000 2.153 132 E HA -0.244 4.107 4.350 0.001 0.000 0.194 132 E C 2.078 178.682 176.600 0.007 0.000 0.988 132 E CA 1.105 57.513 56.400 0.014 0.000 0.811 132 E CB -0.808 28.895 29.700 0.005 0.000 0.746 132 E HN 0.332 nan 8.360 nan 0.000 0.466 133 E N 1.042 121.241 120.200 -0.002 0.000 2.107 133 E HA -0.145 4.206 4.350 0.001 0.000 0.191 133 E C 2.094 178.672 176.600 -0.037 0.000 0.982 133 E CA 0.982 57.363 56.400 -0.031 0.000 0.809 133 E CB -0.143 29.531 29.700 -0.044 0.000 0.756 133 E HN 0.358 nan 8.360 nan 0.000 0.459 134 A N 1.340 124.182 122.820 0.036 0.000 1.902 134 A HA -0.185 4.135 4.320 0.001 0.000 0.217 134 A C 2.015 179.682 177.584 0.139 0.000 1.181 134 A CA 1.465 53.596 52.037 0.157 0.000 0.623 134 A CB -0.427 18.733 19.000 0.265 0.000 0.818 134 A HN 0.225 nan 8.150 nan 0.000 0.443 135 E N -0.329 119.915 120.200 0.073 0.000 2.106 135 E HA -0.188 4.163 4.350 0.001 0.000 0.192 135 E C 1.941 178.560 176.600 0.033 0.000 0.984 135 E CA 1.497 57.928 56.400 0.052 0.000 0.806 135 E CB -0.298 29.426 29.700 0.041 0.000 0.750 135 E HN 0.748 nan 8.360 nan 0.000 0.458 136 E N 1.333 121.538 120.200 0.007 0.000 2.072 136 E HA -0.119 4.232 4.350 0.001 0.000 0.191 136 E C 2.009 178.595 176.600 -0.023 0.000 0.985 136 E CA 1.140 57.534 56.400 -0.009 0.000 0.801 136 E CB -0.027 29.658 29.700 -0.024 0.000 0.750 136 E HN 0.093 nan 8.360 nan 0.000 0.452 137 R N -0.130 120.325 120.500 -0.076 0.000 2.096 137 R HA -0.032 4.309 4.340 0.001 0.000 0.235 137 R C 2.352 178.669 176.300 0.030 0.000 1.127 137 R CA 1.171 57.187 56.100 -0.140 0.000 0.968 137 R CB -0.379 29.601 30.300 -0.534 0.000 0.861 137 R HN 0.234 nan 8.270 nan 0.000 0.440 138 A N 1.003 123.876 122.820 0.087 0.000 1.898 138 A HA -0.141 4.180 4.320 0.001 0.000 0.216 138 A C 2.104 179.762 177.584 0.123 0.000 1.181 138 A CA 1.031 53.127 52.037 0.098 0.000 0.620 138 A CB -0.405 18.580 19.000 -0.024 0.000 0.819 138 A HN 0.169 nan 8.150 nan 0.000 0.442 139 R N -0.412 120.132 120.500 0.074 0.000 2.120 139 R HA -0.056 4.285 4.340 0.001 0.000 0.234 139 R C 1.891 178.225 176.300 0.057 0.000 1.123 139 R CA 1.215 57.352 56.100 0.062 0.000 0.975 139 R CB -0.155 30.168 30.300 0.038 0.000 0.866 139 R HN 0.470 nan 8.270 nan 0.000 0.446 140 R N -1.050 119.479 120.500 0.049 0.000 2.313 140 R HA 0.039 4.380 4.340 0.001 0.000 0.199 140 R C 0.877 177.215 176.300 0.062 0.000 0.958 140 R CA 0.605 56.729 56.100 0.039 0.000 1.047 140 R CB 0.429 30.736 30.300 0.012 0.000 0.955 140 R HN 0.458 nan 8.270 nan 0.000 0.481 141 G N 1.492 110.353 108.800 0.101 0.000 2.141 141 G HA2 -0.307 3.654 3.960 0.001 0.000 0.242 141 G HA3 -0.307 3.654 3.960 0.001 0.000 0.242 141 G C -0.165 174.831 174.900 0.159 0.000 0.982 141 G CA -0.109 45.064 45.100 0.122 0.000 0.662 141 G HN 0.439 nan 8.290 nan 0.000 0.527 142 E N 1.301 121.621 120.200 0.200 0.000 2.366 142 E HA 0.360 4.710 4.350 0.001 0.000 0.266 142 E C -2.010 174.841 176.600 0.418 0.000 1.015 142 E CA -1.658 54.896 56.400 0.257 0.000 0.906 142 E CB 0.692 30.517 29.700 0.209 0.000 0.979 142 E HN 0.178 nan 8.360 nan 0.000 0.443 143 P HA 0.009 nan 4.420 nan 0.000 0.268 143 P C -1.080 176.373 177.300 0.254 0.000 1.204 143 P CA 0.587 63.809 63.100 0.203 0.000 0.768 143 P CB 0.470 32.234 31.700 0.106 0.000 0.842 144 H N -0.111 118.919 119.070 -0.066 0.000 2.917 144 H HA 0.580 5.137 4.556 0.001 0.000 0.299 144 H C -1.428 173.758 175.328 -0.237 0.000 1.418 144 H CA -1.002 54.879 56.048 -0.280 0.000 1.138 144 H CB 0.327 29.611 29.762 -0.797 0.000 1.830 144 H HN 0.222 nan 8.280 nan 0.000 0.514 145 V N -1.011 118.737 119.914 -0.277 0.000 3.126 145 V HA 0.702 4.823 4.120 0.001 0.000 0.314 145 V C -0.233 175.741 176.094 -0.199 0.000 1.138 145 V CA -1.137 61.010 62.300 -0.254 0.000 1.034 145 V CB 2.104 33.801 31.823 -0.209 0.000 1.075 145 V HN 0.685 nan 8.190 nan 0.000 0.442 146 I N 1.679 122.145 120.570 -0.173 0.000 2.406 146 I HA 0.606 4.777 4.170 0.001 0.000 0.290 146 I C 0.083 176.052 176.117 -0.247 0.000 0.999 146 I CA -0.498 60.695 61.300 -0.179 0.000 1.124 146 I CB 1.742 39.701 38.000 -0.068 0.000 1.289 146 I HN 0.655 nan 8.210 nan 0.000 0.441 147 R N 4.205 124.426 120.500 -0.466 0.000 2.787 147 R HA 0.568 4.909 4.340 0.001 0.000 0.271 147 R C -0.942 175.187 176.300 -0.285 0.000 0.993 147 R CA -1.099 54.742 56.100 -0.431 0.000 0.993 147 R CB 2.159 32.076 30.300 -0.638 0.000 1.155 147 R HN 0.378 nan 8.270 nan 0.000 0.486 148 L N 1.630 122.812 121.223 -0.067 0.000 2.380 148 L HA 0.177 4.517 4.340 0.001 0.000 0.273 148 L C -0.211 176.793 176.870 0.224 0.000 1.138 148 L CA 0.355 55.237 54.840 0.070 0.000 0.832 148 L CB 0.525 42.616 42.059 0.053 0.000 1.124 148 L HN 0.456 nan 8.230 nan 0.000 0.454 149 K N 4.585 125.165 120.400 0.300 0.000 2.184 149 K HA 0.347 4.667 4.320 0.001 0.000 0.259 149 K C -1.116 175.573 176.600 0.147 0.000 1.119 149 K CA -0.530 55.923 56.287 0.278 0.000 0.991 149 K CB 0.128 32.730 32.500 0.170 0.000 1.522 149 K HN 0.580 nan 8.250 nan 0.000 0.405 150 V N 5.657 125.660 119.914 0.149 0.000 2.673 150 V HA 0.079 4.199 4.120 0.001 0.000 0.303 150 V C -1.985 174.113 176.094 0.007 0.000 1.046 150 V CA -1.390 60.977 62.300 0.113 0.000 1.126 150 V CB 0.624 32.497 31.823 0.084 0.000 0.934 150 V HN 0.712 nan 8.190 nan 0.000 0.487 151 P HA 0.320 nan 4.420 nan 0.000 0.271 151 P C -0.714 176.560 177.300 -0.043 0.000 1.226 151 P CA -0.182 62.867 63.100 -0.086 0.000 0.765 151 P CB 0.417 32.083 31.700 -0.057 0.000 0.835 152 R N 3.710 124.171 120.500 -0.065 0.000 2.476 152 R HA 0.501 4.842 4.340 0.001 0.000 0.305 152 R C -1.833 174.436 176.300 -0.053 0.000 0.965 152 R CA -1.505 54.566 56.100 -0.048 0.000 0.867 152 R CB 0.289 30.556 30.300 -0.055 0.000 1.176 152 R HN 0.441 nan 8.270 nan 0.000 0.447 153 P HA 0.804 nan 4.420 nan 0.000 0.281 153 P C -0.448 176.846 177.300 -0.011 0.000 1.281 153 P CA -0.617 62.471 63.100 -0.020 0.000 0.811 153 P CB 1.558 33.248 31.700 -0.017 0.000 1.154 154 G N -1.096 107.707 108.800 0.006 0.000 2.320 154 G HA2 0.522 4.483 3.960 0.001 0.000 0.296 154 G HA3 0.522 4.483 3.960 0.001 0.000 0.296 154 G C -1.464 173.458 174.900 0.036 0.000 1.306 154 G CA -0.130 44.982 45.100 0.019 0.000 0.836 154 G HN 0.853 nan 8.290 nan 0.000 0.517 155 T N -2.750 111.834 114.554 0.050 0.000 2.883 155 T HA 0.789 5.139 4.350 0.001 0.000 0.301 155 T C -0.929 173.823 174.700 0.085 0.000 1.158 155 T CA -0.606 61.534 62.100 0.068 0.000 1.007 155 T CB 2.168 71.068 68.868 0.054 0.000 1.186 155 T HN 0.846 nan 8.240 nan 0.000 0.499 156 T N 2.051 116.674 114.554 0.115 0.000 2.881 156 T HA 0.452 4.803 4.350 0.001 0.000 0.291 156 T C -0.934 173.866 174.700 0.167 0.000 0.990 156 T CA -0.748 61.423 62.100 0.118 0.000 0.976 156 T CB 1.409 70.324 68.868 0.079 0.000 0.970 156 T HN 0.705 nan 8.240 nan 0.000 0.438 157 E N 1.920 122.194 120.200 0.124 0.000 2.191 157 E HA 0.620 4.970 4.350 0.001 0.000 0.278 157 E C -0.867 175.808 176.600 0.126 0.000 0.972 157 E CA -0.875 55.596 56.400 0.118 0.000 0.804 157 E CB 2.041 31.783 29.700 0.070 0.000 1.110 157 E HN 0.236 nan 8.360 nan 0.000 0.394 158 V N 2.931 122.932 119.914 0.144 0.000 2.638 158 V HA 0.301 4.421 4.120 0.001 0.000 0.306 158 V C -0.356 175.792 176.094 0.091 0.000 1.052 158 V CA -0.911 61.463 62.300 0.123 0.000 0.885 158 V CB 1.945 33.857 31.823 0.148 0.000 0.999 158 V HN 0.554 nan 8.190 nan 0.000 0.424 159 K N 3.454 123.915 120.400 0.101 0.000 2.235 159 K HA 0.392 4.712 4.320 0.001 0.000 0.266 159 K C -1.083 175.569 176.600 0.086 0.000 0.980 159 K CA -0.503 55.824 56.287 0.067 0.000 0.849 159 K CB 1.320 33.844 32.500 0.040 0.000 1.098 159 K HN 0.863 nan 8.250 nan 0.000 0.445 160 D N 3.888 124.310 120.400 0.038 0.000 2.256 160 D HA 0.060 4.701 4.640 0.001 0.000 0.240 160 D C 0.395 176.623 176.300 -0.120 0.000 1.062 160 D CA -0.238 53.780 54.000 0.030 0.000 0.832 160 D CB 1.523 42.382 40.800 0.098 0.000 1.135 160 D HN 0.579 nan 8.370 nan 0.000 0.484 161 E N 2.904 122.896 120.200 -0.348 0.000 2.267 161 E HA -0.105 4.246 4.350 0.001 0.000 0.197 161 E C 1.582 178.016 176.600 -0.277 0.000 0.998 161 E CA 0.838 56.958 56.400 -0.467 0.000 0.830 161 E CB 0.325 29.361 29.700 -1.106 0.000 0.751 161 E HN 0.637 nan 8.360 nan 0.000 0.491 162 L N -0.907 120.206 121.223 -0.184 0.000 2.470 162 L HA 0.159 4.500 4.340 0.001 0.000 0.219 162 L C 2.192 179.059 176.870 -0.005 0.000 1.071 162 L CA 0.220 55.031 54.840 -0.049 0.000 0.850 162 L CB 0.036 42.108 42.059 0.022 0.000 1.040 162 L HN -0.074 nan 8.230 nan 0.000 0.475 163 R N 0.194 120.689 120.500 -0.007 0.000 2.254 163 R HA 0.348 4.689 4.340 0.001 0.000 0.193 163 R C 0.736 177.028 176.300 -0.014 0.000 0.929 163 R CA 0.499 56.600 56.100 0.002 0.000 1.038 163 R CB 0.702 31.010 30.300 0.014 0.000 1.009 163 R HN 0.322 nan 8.270 nan 0.000 0.512 164 G N 0.503 109.288 108.800 -0.025 0.000 2.549 164 G HA2 -0.203 3.758 3.960 0.001 0.000 0.404 164 G HA3 -0.203 3.758 3.960 0.001 0.000 0.404 164 G C -0.795 174.092 174.900 -0.021 0.000 1.292 164 G CA -0.793 44.291 45.100 -0.026 0.000 0.935 164 G HN -0.023 nan 8.290 nan 0.000 0.512 165 V N -0.116 119.785 119.914 -0.022 0.000 2.583 165 V HA 0.538 4.659 4.120 0.001 0.000 0.287 165 V C 0.665 176.730 176.094 -0.049 0.000 1.051 165 V CA -0.375 61.914 62.300 -0.018 0.000 1.010 165 V CB 1.314 33.131 31.823 -0.010 0.000 0.988 165 V HN 0.935 nan 8.190 nan 0.000 0.478 166 V N 5.225 125.101 119.914 -0.062 0.000 2.487 166 V HA 0.384 4.505 4.120 0.001 0.000 0.298 166 V C -0.261 175.726 176.094 -0.179 0.000 1.028 166 V CA -0.620 61.569 62.300 -0.185 0.000 0.860 166 V CB 2.054 33.694 31.823 -0.306 0.000 0.991 166 V HN 0.586 nan 8.190 nan 0.000 0.427 167 V N 5.844 125.639 119.914 -0.198 0.000 2.364 167 V HA 0.404 4.525 4.120 0.001 0.000 0.272 167 V C -0.742 175.253 176.094 -0.165 0.000 1.036 167 V CA -0.509 61.733 62.300 -0.096 0.000 0.880 167 V CB 0.770 32.562 31.823 -0.052 0.000 0.991 167 V HN 0.714 nan 8.190 nan 0.000 0.460 168 Y N 2.297 122.587 120.300 -0.016 0.000 2.361 168 Y HA 0.395 4.946 4.550 0.001 0.000 0.332 168 Y C 0.503 176.397 175.900 -0.010 0.000 1.101 168 Y CA -0.665 57.424 58.100 -0.018 0.000 1.137 168 Y CB 1.144 39.588 38.460 -0.027 0.000 1.207 168 Y HN 0.567 nan 8.280 nan 0.000 0.463 169 D N 1.631 122.119 120.400 0.147 0.000 2.308 169 D HA 0.042 4.682 4.640 0.001 0.000 0.251 169 D C 0.469 176.826 176.300 0.095 0.000 1.127 169 D CA 0.197 54.249 54.000 0.086 0.000 0.876 169 D CB 0.668 41.498 40.800 0.050 0.000 1.176 169 D HN 0.695 nan 8.370 nan 0.000 0.446 170 N N 1.897 120.636 118.700 0.065 0.000 2.430 170 N HA -0.187 4.553 4.740 0.001 0.000 0.186 170 N C 0.757 176.286 175.510 0.031 0.000 1.032 170 N CA 0.416 53.493 53.050 0.045 0.000 0.893 170 N CB 0.227 38.735 38.487 0.036 0.000 0.957 170 N HN 0.399 nan 8.380 nan 0.000 0.442 171 Q N 0.874 120.692 119.800 0.031 0.000 2.437 171 Q HA -0.067 4.273 4.340 0.001 0.000 0.210 171 Q C 0.942 176.958 176.000 0.027 0.000 0.972 171 Q CA 0.876 56.691 55.803 0.021 0.000 0.903 171 Q CB 0.017 28.764 28.738 0.014 0.000 0.967 171 Q HN 0.525 nan 8.270 nan 0.000 0.486 172 E N -0.549 119.677 120.200 0.044 0.000 2.442 172 E HA 0.099 4.450 4.350 0.001 0.000 0.195 172 E C -0.126 176.480 176.600 0.010 0.000 1.030 172 E CA 0.044 56.474 56.400 0.050 0.000 0.869 172 E CB 0.445 30.218 29.700 0.121 0.000 0.857 172 E HN 0.290 nan 8.360 nan 0.000 0.505 173 I N 3.931 124.495 120.570 -0.011 0.000 2.312 173 I HA 0.226 4.397 4.170 0.001 0.000 0.290 173 I C -2.152 173.957 176.117 -0.014 0.000 1.008 173 I CA -2.406 58.861 61.300 -0.054 0.000 1.226 173 I CB 0.959 38.909 38.000 -0.084 0.000 1.371 173 I HN -0.183 nan 8.210 nan 0.000 0.468 174 P HA 0.156 nan 4.420 nan 0.000 0.278 174 P C -0.917 176.419 177.300 0.061 0.000 1.258 174 P CA -0.488 62.638 63.100 0.042 0.000 0.811 174 P CB 0.992 32.725 31.700 0.055 0.000 1.063 175 D N 0.692 121.174 120.400 0.136 0.000 2.545 175 D HA 0.115 4.756 4.640 0.001 0.000 0.227 175 D C 0.289 176.653 176.300 0.108 0.000 1.150 175 D CA 0.030 54.136 54.000 0.177 0.000 1.046 175 D CB -0.812 40.206 40.800 0.363 0.000 1.098 175 D HN 0.104 nan 8.370 nan 0.000 0.502 176 V N -0.408 119.531 119.914 0.042 0.000 2.901 176 V HA 0.055 4.176 4.120 0.001 0.000 0.307 176 V C 0.796 176.896 176.094 0.011 0.000 1.084 176 V CA -0.774 61.545 62.300 0.032 0.000 1.184 176 V CB 0.648 32.473 31.823 0.004 0.000 0.941 176 V HN 0.025 nan 8.190 nan 0.000 0.493 177 V N 5.626 125.548 119.914 0.014 0.000 2.585 177 V HA 0.109 4.230 4.120 0.001 0.000 0.296 177 V C 1.096 177.205 176.094 0.025 0.000 1.035 177 V CA 0.328 62.609 62.300 -0.032 0.000 1.084 177 V CB 0.673 32.473 31.823 -0.038 0.000 0.953 177 V HN 0.892 nan 8.190 nan 0.000 0.483 178 L N 4.227 125.442 121.223 -0.013 0.000 2.467 178 L HA 0.365 4.705 4.340 0.001 0.000 0.213 178 L C 0.109 176.984 176.870 0.009 0.000 1.053 178 L CA 0.387 55.238 54.840 0.018 0.000 0.847 178 L CB 0.289 42.356 42.059 0.012 0.000 1.075 178 L HN 0.407 nan 8.230 nan 0.000 0.479 179 L N 0.742 121.956 121.223 -0.015 0.000 2.376 179 L HA 0.389 4.730 4.340 0.001 0.000 0.275 179 L C -0.284 176.558 176.870 -0.047 0.000 0.987 179 L CA -0.261 54.575 54.840 -0.007 0.000 0.828 179 L CB 1.464 43.527 42.059 0.006 0.000 1.249 179 L HN -0.073 nan 8.230 nan 0.000 0.409 180 K N 1.201 121.592 120.400 -0.016 0.000 2.120 180 K HA 0.217 4.538 4.320 0.001 0.000 0.245 180 K C 1.143 177.691 176.600 -0.087 0.000 1.024 180 K CA 0.445 56.706 56.287 -0.042 0.000 0.906 180 K CB 0.741 33.241 32.500 0.001 0.000 1.051 180 K HN 0.731 nan 8.250 nan 0.000 0.491 181 S N 0.097 115.728 115.700 -0.115 0.000 2.474 181 S HA -0.127 4.343 4.470 0.001 0.000 0.235 181 S C 0.964 175.511 174.600 -0.088 0.000 0.997 181 S CA 1.433 59.538 58.200 -0.157 0.000 0.949 181 S CB -0.333 62.793 63.200 -0.123 0.000 0.766 181 S HN 0.717 nan 8.310 nan 0.000 0.517 182 D N -0.087 120.300 120.400 -0.021 0.000 2.339 182 D HA 0.291 4.932 4.640 0.001 0.000 0.217 182 D C 1.395 177.795 176.300 0.166 0.000 1.050 182 D CA 0.493 54.519 54.000 0.042 0.000 0.856 182 D CB -0.530 40.260 40.800 -0.016 0.000 0.922 182 D HN 0.535 nan 8.370 nan 0.000 0.518 183 G N -0.670 108.195 108.800 0.109 0.000 2.175 183 G HA2 -0.294 3.666 3.960 0.001 0.000 0.244 183 G HA3 -0.294 3.666 3.960 0.001 0.000 0.244 183 G C -0.119 174.865 174.900 0.140 0.000 0.982 183 G CA -0.016 45.146 45.100 0.103 0.000 0.641 183 G HN 0.434 nan 8.290 nan 0.000 0.527 184 Y N 2.169 122.469 120.300 0.000 0.000 2.301 184 Y HA 0.484 5.034 4.550 0.001 0.000 0.325 184 Y C -1.344 174.553 175.900 -0.004 0.000 1.203 184 Y CA -1.742 56.369 58.100 0.018 0.000 1.255 184 Y CB 1.444 39.905 38.460 0.002 0.000 1.232 184 Y HN 0.041 nan 8.280 nan 0.000 0.501 185 P HA 0.121 nan 4.420 nan 0.000 0.278 185 P C -0.740 176.536 177.300 -0.041 0.000 1.258 185 P CA -0.437 62.632 63.100 -0.052 0.000 0.811 185 P CB 1.484 32.985 31.700 -0.332 0.000 1.063 186 T N -1.852 112.676 114.554 -0.044 0.000 2.912 186 T HA 0.145 4.496 4.350 0.001 0.000 0.280 186 T C 1.112 175.769 174.700 -0.072 0.000 0.989 186 T CA -0.365 61.729 62.100 -0.010 0.000 0.995 186 T CB 0.223 69.118 68.868 0.044 0.000 1.077 186 T HN 0.424 nan 8.240 nan 0.000 0.531 187 Y N 1.307 121.496 120.300 -0.186 0.000 2.114 187 Y HA -0.286 4.265 4.550 0.001 0.000 0.282 187 Y C 2.497 178.258 175.900 -0.233 0.000 1.165 187 Y CA 2.245 60.202 58.100 -0.238 0.000 1.148 187 Y CB -0.860 37.458 38.460 -0.236 0.000 0.972 187 Y HN 0.800 nan 8.280 nan 0.000 0.504 188 H N -0.458 118.446 119.070 -0.277 0.000 2.319 188 H HA -0.175 4.381 4.556 0.001 0.000 0.299 188 H C 2.306 177.433 175.328 -0.336 0.000 1.092 188 H CA 1.842 57.684 56.048 -0.343 0.000 1.302 188 H CB -0.834 28.941 29.762 0.021 0.000 1.373 188 H HN 0.451 nan 8.280 nan 0.000 0.497 189 L N 0.941 122.108 121.223 -0.093 0.000 2.005 189 L HA -0.012 4.329 4.340 0.001 0.000 0.207 189 L C 2.599 179.351 176.870 -0.197 0.000 1.072 189 L CA 1.926 56.718 54.840 -0.080 0.000 0.744 189 L CB -0.967 41.086 42.059 -0.011 0.000 0.895 189 L HN 0.180 nan 8.230 nan 0.000 0.433 190 A N -0.560 122.024 122.820 -0.394 0.000 1.902 190 A HA -0.254 4.066 4.320 0.001 0.000 0.217 190 A C 2.288 179.688 177.584 -0.308 0.000 1.181 190 A CA 1.868 53.564 52.037 -0.569 0.000 0.623 190 A CB -1.031 17.449 19.000 -0.867 0.000 0.818 190 A HN 0.684 nan 8.150 nan 0.000 0.443 191 N N 0.107 118.564 118.700 -0.405 0.000 2.120 191 N HA -0.136 4.605 4.740 0.001 0.000 0.188 191 N C 1.732 177.065 175.510 -0.295 0.000 1.024 191 N CA 1.859 54.677 53.050 -0.388 0.000 0.852 191 N CB -0.081 37.957 38.487 -0.747 0.000 1.003 191 N HN 0.247 nan 8.380 nan 0.000 0.424 192 V N 0.889 120.588 119.914 -0.358 0.000 2.323 192 V HA -0.146 3.975 4.120 0.001 0.000 0.244 192 V C 2.530 178.500 176.094 -0.206 0.000 1.041 192 V CA 0.945 63.047 62.300 -0.329 0.000 1.025 192 V CB -0.334 31.234 31.823 -0.425 0.000 0.656 192 V HN 0.100 nan 8.190 nan 0.000 0.451 193 V N 0.404 120.222 119.914 -0.160 0.000 2.287 193 V HA -0.283 3.838 4.120 0.001 0.000 0.248 193 V C 2.257 178.230 176.094 -0.201 0.000 1.053 193 V CA 2.383 64.554 62.300 -0.215 0.000 1.027 193 V CB -0.647 31.087 31.823 -0.148 0.000 0.646 193 V HN 0.573 nan 8.190 nan 0.000 0.447 194 D N -0.547 119.802 120.400 -0.085 0.000 2.149 194 D HA -0.113 4.528 4.640 0.001 0.000 0.201 194 D C 1.917 178.160 176.300 -0.095 0.000 0.972 194 D CA 0.999 54.953 54.000 -0.077 0.000 0.835 194 D CB -0.343 40.457 40.800 0.000 0.000 0.966 194 D HN 0.382 nan 8.370 nan 0.000 0.476 195 D N -0.441 119.927 120.400 -0.053 0.000 2.144 195 D HA -0.149 4.492 4.640 0.001 0.000 0.199 195 D C 1.875 178.148 176.300 -0.044 0.000 0.984 195 D CA 0.773 54.773 54.000 0.000 0.000 0.834 195 D CB -0.252 40.611 40.800 0.104 0.000 0.955 195 D HN 0.413 nan 8.370 nan 0.000 0.465 196 H N 0.588 119.544 119.070 -0.190 0.000 2.299 196 H HA -0.013 4.544 4.556 0.001 0.000 0.302 196 H C 2.190 177.222 175.328 -0.493 0.000 1.078 196 H CA 0.907 56.725 56.048 -0.383 0.000 1.323 196 H CB -0.181 29.055 29.762 -0.876 0.000 1.381 196 H HN 0.107 nan 8.280 nan 0.000 0.498 197 L N 0.283 121.158 121.223 -0.579 0.000 2.201 197 L HA -0.120 4.220 4.340 0.001 0.000 0.212 197 L C 2.459 179.037 176.870 -0.487 0.000 1.105 197 L CA 0.696 55.203 54.840 -0.554 0.000 0.775 197 L CB -0.156 41.696 42.059 -0.345 0.000 0.913 197 L HN 0.312 nan 8.230 nan 0.000 0.440 198 M N -0.814 118.590 119.600 -0.326 0.000 2.495 198 M HA 0.175 4.655 4.480 0.001 0.000 0.237 198 M C 1.184 177.366 176.300 -0.196 0.000 1.131 198 M CA 0.508 55.693 55.300 -0.192 0.000 1.032 198 M CB 0.313 32.903 32.600 -0.017 0.000 1.513 198 M HN 0.343 nan 8.290 nan 0.000 0.488 199 G N 1.449 110.061 108.800 -0.315 0.000 2.198 199 G HA2 -0.204 3.757 3.960 0.001 0.000 0.260 199 G HA3 -0.204 3.757 3.960 0.001 0.000 0.260 199 G C -0.037 174.800 174.900 -0.105 0.000 1.025 199 G CA -0.247 44.709 45.100 -0.240 0.000 0.769 199 G HN 0.330 nan 8.290 nan 0.000 0.507 200 V N 0.991 120.863 119.914 -0.069 0.000 2.529 200 V HA 0.374 4.494 4.120 0.001 0.000 0.292 200 V C 1.781 177.859 176.094 -0.026 0.000 1.028 200 V CA 1.254 63.550 62.300 -0.006 0.000 1.074 200 V CB 1.063 32.902 31.823 0.026 0.000 0.958 200 V HN 0.789 nan 8.190 nan 0.000 0.481 201 T N -0.200 114.355 114.554 0.001 0.000 2.990 201 T HA 0.194 4.545 4.350 0.001 0.000 0.249 201 T C 0.147 174.859 174.700 0.019 0.000 1.039 201 T CA -0.045 62.048 62.100 -0.011 0.000 1.036 201 T CB 0.152 69.031 68.868 0.018 0.000 0.994 201 T HN 0.596 nan 8.240 nan 0.000 0.489 202 D N 0.949 121.408 120.400 0.098 0.000 2.542 202 D HA 0.516 5.156 4.640 0.001 0.000 0.252 202 D C -1.426 174.963 176.300 0.148 0.000 1.222 202 D CA -0.432 53.690 54.000 0.204 0.000 0.895 202 D CB 2.268 43.324 40.800 0.428 0.000 1.207 202 D HN 0.039 nan 8.370 nan 0.000 0.558 203 V N 3.890 123.846 119.914 0.070 0.000 2.348 203 V HA 0.379 4.500 4.120 0.001 0.000 0.270 203 V C 0.030 176.221 176.094 0.162 0.000 1.037 203 V CA -0.402 61.962 62.300 0.107 0.000 0.872 203 V CB 0.516 32.408 31.823 0.116 0.000 1.002 203 V HN 0.502 nan 8.190 nan 0.000 0.464 204 I N 7.428 128.072 120.570 0.122 0.000 2.382 204 I HA 0.655 4.825 4.170 0.001 0.000 0.286 204 I C 0.194 176.356 176.117 0.075 0.000 1.002 204 I CA -0.403 60.946 61.300 0.081 0.000 1.135 204 I CB 1.007 39.065 38.000 0.096 0.000 1.288 204 I HN 0.708 nan 8.210 nan 0.000 0.448 205 R N 4.720 125.244 120.500 0.040 0.000 2.766 205 R HA 0.851 5.191 4.340 0.001 0.000 0.270 205 R C -1.113 175.348 176.300 0.267 0.000 1.035 205 R CA -1.054 55.128 56.100 0.137 0.000 0.911 205 R CB 1.227 31.601 30.300 0.124 0.000 1.243 205 R HN 0.441 nan 8.270 nan 0.000 0.460 206 A N 0.851 123.926 122.820 0.425 0.000 2.483 206 A HA 0.050 4.371 4.320 0.001 0.000 0.238 206 A C 1.118 178.987 177.584 0.474 0.000 1.070 206 A CA 0.215 52.500 52.037 0.414 0.000 0.770 206 A CB 0.020 19.244 19.000 0.373 0.000 1.008 206 A HN 0.951 nan 8.150 nan 0.000 0.497 207 E N 1.372 121.762 120.200 0.316 0.000 2.331 207 E HA -0.284 4.067 4.350 0.001 0.000 0.199 207 E C 1.203 177.846 176.600 0.071 0.000 1.008 207 E CA 1.432 57.969 56.400 0.230 0.000 0.843 207 E CB -0.335 29.449 29.700 0.141 0.000 0.761 207 E HN 0.917 nan 8.360 nan 0.000 0.507 208 E N 0.308 120.487 120.200 -0.035 0.000 2.409 208 E HA -0.177 4.173 4.350 0.001 0.000 0.198 208 E C 0.924 177.309 176.600 -0.358 0.000 1.024 208 E CA 0.791 57.033 56.400 -0.264 0.000 0.861 208 E CB -0.393 29.046 29.700 -0.434 0.000 0.788 208 E HN 0.527 nan 8.360 nan 0.000 0.521 209 W N 0.365 121.722 121.300 0.096 0.000 3.197 209 W HA 0.220 4.881 4.660 0.001 0.000 0.274 209 W C 1.679 178.199 176.519 0.002 0.000 1.297 209 W CA -0.716 56.710 57.345 0.136 0.000 1.662 209 W CB 0.102 29.743 29.460 0.300 0.000 1.106 209 W HN 0.097 nan 8.180 nan 0.000 0.663 210 L N 1.483 122.618 121.223 -0.148 0.000 2.013 210 L HA -0.235 4.105 4.340 0.001 0.000 0.212 210 L C 2.349 179.072 176.870 -0.245 0.000 1.073 210 L CA 2.341 56.808 54.840 -0.622 0.000 0.753 210 L CB -1.097 40.642 42.059 -0.533 0.000 0.890 210 L HN 0.058 nan 8.230 nan 0.000 0.432 211 V N -4.252 115.595 119.914 -0.112 0.000 3.078 211 V HA -0.084 4.037 4.120 0.001 0.000 0.265 211 V C 2.123 178.112 176.094 -0.174 0.000 1.122 211 V CA 1.655 63.906 62.300 -0.082 0.000 1.141 211 V CB -0.930 30.876 31.823 -0.028 0.000 0.735 211 V HN 0.447 nan 8.190 nan 0.000 0.498 212 S N 0.551 116.191 115.700 -0.100 0.000 2.496 212 S HA -0.046 4.425 4.470 0.001 0.000 0.224 212 S C 1.902 176.129 174.600 -0.622 0.000 0.996 212 S CA 1.249 59.351 58.200 -0.163 0.000 0.927 212 S CB -0.288 63.099 63.200 0.311 0.000 0.774 212 S HN 0.789 nan 8.310 nan 0.000 0.524 213 T N 3.198 117.468 114.554 -0.473 0.000 2.759 213 T HA -0.076 4.275 4.350 0.001 0.000 0.269 213 T C -0.650 173.783 174.700 -0.444 0.000 1.042 213 T CA 1.284 63.064 62.100 -0.534 0.000 1.140 213 T CB -1.414 67.183 68.868 -0.451 0.000 0.864 213 T HN 0.444 nan 8.240 nan 0.000 0.455 214 P HA 0.005 nan 4.420 nan 0.000 0.218 214 P C 1.524 178.660 177.300 -0.273 0.000 1.149 214 P CA 0.973 63.832 63.100 -0.402 0.000 0.817 214 P CB -0.232 30.990 31.700 -0.797 0.000 0.785 215 I N -0.400 119.963 120.570 -0.346 0.000 2.226 215 I HA -0.235 3.936 4.170 0.001 0.000 0.245 215 I C 2.687 178.778 176.117 -0.044 0.000 1.100 215 I CA 1.464 62.619 61.300 -0.242 0.000 1.374 215 I CB -0.900 36.847 38.000 -0.421 0.000 1.057 215 I HN 0.056 nan 8.210 nan 0.000 0.413 216 H N -0.609 118.421 119.070 -0.065 0.000 2.389 216 H HA -0.105 4.452 4.556 0.001 0.000 0.299 216 H C 2.409 177.855 175.328 0.198 0.000 1.081 216 H CA 0.950 57.033 56.048 0.059 0.000 1.345 216 H CB 0.057 29.905 29.762 0.144 0.000 1.393 216 H HN 0.107 nan 8.280 nan 0.000 0.520 217 V N 1.262 121.316 119.914 0.235 0.000 2.407 217 V HA -0.230 3.891 4.120 0.001 0.000 0.248 217 V C 2.391 178.551 176.094 0.109 0.000 1.055 217 V CA 1.394 63.833 62.300 0.231 0.000 1.049 217 V CB -0.406 31.482 31.823 0.108 0.000 0.662 217 V HN 0.362 nan 8.190 nan 0.000 0.455 218 L N -1.011 120.212 121.223 -0.001 0.000 2.093 218 L HA -0.158 4.183 4.340 0.001 0.000 0.208 218 L C 2.349 179.010 176.870 -0.348 0.000 1.085 218 L CA 1.352 56.114 54.840 -0.129 0.000 0.755 218 L CB -0.399 41.633 42.059 -0.046 0.000 0.904 218 L HN 0.309 nan 8.230 nan 0.000 0.435 219 L N -1.815 119.273 121.223 -0.224 0.000 2.056 219 L HA -0.240 4.101 4.340 0.001 0.000 0.207 219 L C 2.514 179.174 176.870 -0.349 0.000 1.078 219 L CA 1.437 56.053 54.840 -0.374 0.000 0.749 219 L CB -0.586 41.359 42.059 -0.190 0.000 0.901 219 L HN 0.142 nan 8.230 nan 0.000 0.433 220 Y N -0.300 119.965 120.300 -0.059 0.000 2.165 220 Y HA -0.289 4.261 4.550 0.001 0.000 0.286 220 Y C 2.918 178.719 175.900 -0.165 0.000 1.155 220 Y CA 1.487 59.610 58.100 0.038 0.000 1.164 220 Y CB -0.222 38.341 38.460 0.172 0.000 0.978 220 Y HN 0.071 nan 8.280 nan 0.000 0.513 221 R N 0.417 120.857 120.500 -0.101 0.000 2.073 221 R HA -0.199 4.142 4.340 0.001 0.000 0.234 221 R C 2.379 178.331 176.300 -0.580 0.000 1.134 221 R CA 1.275 57.233 56.100 -0.237 0.000 0.952 221 R CB -0.502 29.672 30.300 -0.209 0.000 0.850 221 R HN 0.330 nan 8.270 nan 0.000 0.433 222 A N 0.395 122.531 122.820 -1.140 0.000 1.908 222 A HA -0.167 4.153 4.320 0.001 0.000 0.218 222 A C 1.820 178.779 177.584 -1.043 0.000 1.181 222 A CA 1.386 52.371 52.037 -1.754 0.000 0.627 222 A CB -0.666 17.153 19.000 -1.969 0.000 0.818 222 A HN 0.398 nan 8.150 nan 0.000 0.445 223 F N -0.600 118.836 119.950 -0.857 0.000 2.780 223 F HA 0.299 4.827 4.527 0.001 0.000 0.299 223 F C 1.890 177.198 175.800 -0.820 0.000 1.146 223 F CA 0.429 57.786 58.000 -1.071 0.000 1.428 223 F CB -0.416 37.217 39.000 -2.279 0.000 1.115 223 F HN 0.383 nan 8.300 nan 0.000 0.583 224 G N -0.770 107.838 108.800 -0.320 0.000 2.198 224 G HA2 -0.260 3.701 3.960 0.001 0.000 0.257 224 G HA3 -0.260 3.701 3.960 0.001 0.000 0.257 224 G C -0.232 174.756 174.900 0.147 0.000 1.042 224 G CA -0.329 44.734 45.100 -0.061 0.000 0.791 224 G HN 0.154 nan 8.290 nan 0.000 0.502 225 W N 0.228 121.569 121.300 0.068 0.000 2.578 225 W HA 0.615 5.276 4.660 0.001 0.000 0.353 225 W C 0.525 177.127 176.519 0.138 0.000 1.088 225 W CA -1.789 55.606 57.345 0.084 0.000 1.235 225 W CB 0.666 30.103 29.460 -0.038 0.000 1.362 225 W HN 0.214 nan 8.180 nan 0.000 0.592 226 E N 1.261 121.661 120.200 0.333 0.000 2.289 226 E HA 0.454 4.805 4.350 0.001 0.000 0.278 226 E C -0.045 176.502 176.600 -0.089 0.000 1.032 226 E CA -0.309 56.161 56.400 0.116 0.000 0.854 226 E CB 1.013 30.755 29.700 0.069 0.000 1.046 226 E HN 0.355 nan 8.360 nan 0.000 0.409 227 A N 5.025 127.678 122.820 -0.278 0.000 2.340 227 A HA 0.395 4.716 4.320 0.001 0.000 0.268 227 A C -1.833 175.443 177.584 -0.514 0.000 1.100 227 A CA -1.122 50.467 52.037 -0.748 0.000 0.803 227 A CB 0.026 18.800 19.000 -0.377 0.000 1.043 227 A HN 0.472 nan 8.150 nan 0.000 0.488 228 P HA 0.375 nan 4.420 nan 0.000 0.282 228 P C -0.601 176.283 177.300 -0.693 0.000 1.287 228 P CA -0.655 62.132 63.100 -0.523 0.000 0.792 228 P CB 0.662 32.092 31.700 -0.451 0.000 1.163 229 R N -0.530 119.703 120.500 -0.446 0.000 2.490 229 R HA 0.434 4.775 4.340 0.001 0.000 0.280 229 R C -0.586 175.370 176.300 -0.573 0.000 1.077 229 R CA 0.127 55.984 56.100 -0.406 0.000 1.065 229 R CB -0.135 30.067 30.300 -0.163 0.000 1.003 229 R HN 0.325 nan 8.270 nan 0.000 0.470 230 F N 3.149 122.944 119.950 -0.258 0.000 2.482 230 F HA 0.384 4.912 4.527 0.001 0.000 0.331 230 F C -0.784 174.750 175.800 -0.444 0.000 1.115 230 F CA -0.565 57.327 58.000 -0.181 0.000 0.955 230 F CB 1.291 40.293 39.000 0.004 0.000 1.136 230 F HN 0.353 nan 8.300 nan 0.000 0.452 231 Y N 2.221 122.402 120.300 -0.198 0.000 2.329 231 Y HA 0.371 4.921 4.550 0.001 0.000 0.328 231 Y C -0.399 175.317 175.900 -0.307 0.000 0.992 231 Y CA -0.963 56.929 58.100 -0.347 0.000 1.151 231 Y CB 1.068 39.092 38.460 -0.726 0.000 1.150 231 Y HN 0.476 nan 8.280 nan 0.000 0.450 232 H N 4.713 123.862 119.070 0.133 0.000 2.581 232 H HA 0.351 4.908 4.556 0.001 0.000 0.308 232 H C -0.221 175.189 175.328 0.136 0.000 1.040 232 H CA -0.554 55.589 56.048 0.158 0.000 1.231 232 H CB 1.206 31.057 29.762 0.148 0.000 1.396 232 H HN 0.546 nan 8.280 nan 0.000 0.467 233 M N 3.973 123.689 119.600 0.194 0.000 2.242 233 M HA 0.206 4.687 4.480 0.001 0.000 0.344 233 M C -2.199 174.231 176.300 0.216 0.000 1.140 233 M CA -2.313 53.071 55.300 0.141 0.000 1.160 233 M CB 0.262 32.822 32.600 -0.068 0.000 1.491 233 M HN 0.246 nan 8.290 nan 0.000 0.459 234 P HA 0.196 nan 4.420 nan 0.000 0.269 234 P C -0.484 176.955 177.300 0.232 0.000 1.209 234 P CA -0.221 62.993 63.100 0.190 0.000 0.776 234 P CB 0.408 32.199 31.700 0.151 0.000 0.876 235 L N 2.459 123.773 121.223 0.151 0.000 2.439 235 L HA 0.162 4.503 4.340 0.001 0.000 0.269 235 L C 0.619 177.515 176.870 0.043 0.000 1.179 235 L CA -0.390 54.523 54.840 0.122 0.000 0.828 235 L CB -0.018 42.080 42.059 0.064 0.000 1.106 235 L HN 0.198 nan 8.230 nan 0.000 0.467 236 L N 3.882 125.091 121.223 -0.025 0.000 2.416 236 L HA 0.259 4.600 4.340 0.001 0.000 0.272 236 L C 0.080 176.955 176.870 0.008 0.000 1.161 236 L CA -0.304 54.489 54.840 -0.078 0.000 0.845 236 L CB 0.151 42.130 42.059 -0.133 0.000 1.119 236 L HN 0.554 nan 8.230 nan 0.000 0.464 237 R N 2.153 122.678 120.500 0.040 0.000 2.832 237 R HA 0.463 4.804 4.340 0.001 0.000 0.271 237 R C -0.645 175.705 176.300 0.085 0.000 0.996 237 R CA -1.051 55.080 56.100 0.051 0.000 0.977 237 R CB 0.866 31.191 30.300 0.042 0.000 1.168 237 R HN 0.501 nan 8.270 nan 0.000 0.482 238 N N 1.350 120.088 118.700 0.064 0.000 2.408 238 N HA 0.177 4.918 4.740 0.001 0.000 0.260 238 N C -1.714 173.839 175.510 0.072 0.000 1.242 238 N CA -1.542 51.553 53.050 0.075 0.000 0.959 238 N CB 0.522 39.034 38.487 0.043 0.000 1.201 238 N HN 0.108 nan 8.380 nan 0.000 0.511 239 P HA -0.158 nan 4.420 nan 0.000 0.217 239 P C 0.002 177.328 177.300 0.043 0.000 1.151 239 P CA 1.497 64.634 63.100 0.062 0.000 0.849 239 P CB 0.025 31.762 31.700 0.061 0.000 0.787 240 D N -1.855 118.566 120.400 0.035 0.000 2.358 240 D HA -0.022 4.619 4.640 0.001 0.000 0.241 240 D C 0.521 176.835 176.300 0.022 0.000 1.094 240 D CA 0.138 54.153 54.000 0.024 0.000 0.907 240 D CB -0.536 40.275 40.800 0.018 0.000 0.893 240 D HN -0.033 nan 8.370 nan 0.000 0.528 241 K N -1.877 118.540 120.400 0.028 0.000 3.547 241 K HA -0.196 4.125 4.320 0.001 0.000 0.309 241 K C 0.415 177.026 176.600 0.019 0.000 1.324 241 K CA 1.344 57.646 56.287 0.025 0.000 0.988 241 K CB -2.566 29.946 32.500 0.020 0.000 1.261 241 K HN 0.421 nan 8.250 nan 0.000 0.444 242 T N 0.472 115.036 114.554 0.016 0.000 2.868 242 T HA 0.218 4.569 4.350 0.001 0.000 0.292 242 T C -0.070 174.635 174.700 0.010 0.000 1.028 242 T CA -0.615 61.490 62.100 0.007 0.000 1.059 242 T CB 0.648 69.517 68.868 0.001 0.000 0.991 242 T HN 0.241 nan 8.240 nan 0.000 0.531 243 K N 4.113 124.513 120.400 0.001 0.000 2.412 243 K HA 0.137 4.458 4.320 0.001 0.000 0.281 243 K C 0.099 176.701 176.600 0.004 0.000 1.027 243 K CA -0.279 56.009 56.287 0.002 0.000 0.989 243 K CB 0.167 32.660 32.500 -0.012 0.000 0.935 243 K HN 0.578 nan 8.250 nan 0.000 0.475 244 I N 2.901 123.477 120.570 0.011 0.000 2.648 244 I HA -0.080 4.090 4.170 0.001 0.000 0.284 244 I C 0.435 176.568 176.117 0.026 0.000 1.153 244 I CA 0.536 61.837 61.300 0.002 0.000 1.426 244 I CB 1.099 39.086 38.000 -0.021 0.000 1.381 244 I HN 0.618 nan 8.210 nan 0.000 0.571 245 S N 5.130 120.833 115.700 0.005 0.000 2.540 245 S HA 0.270 4.740 4.470 0.001 0.000 0.275 245 S C 0.574 175.165 174.600 -0.015 0.000 1.123 245 S CA -0.999 57.221 58.200 0.033 0.000 0.907 245 S CB 1.578 64.778 63.200 -0.001 0.000 1.081 245 S HN 0.731 nan 8.310 nan 0.000 0.476 246 K N 2.983 123.403 120.400 0.035 0.000 2.360 246 K HA 0.006 4.326 4.320 0.001 0.000 0.201 246 K C 1.236 177.781 176.600 -0.093 0.000 1.046 246 K CA 0.867 57.111 56.287 -0.072 0.000 0.945 246 K CB -0.116 32.383 32.500 -0.002 0.000 0.750 246 K HN 0.539 nan 8.250 nan 0.000 0.464 247 R N 0.521 120.985 120.500 -0.060 0.000 2.297 247 R HA 0.075 4.416 4.340 0.001 0.000 0.197 247 R C 1.796 178.037 176.300 -0.099 0.000 0.943 247 R CA 0.649 56.706 56.100 -0.072 0.000 1.038 247 R CB 0.140 30.414 30.300 -0.043 0.000 0.957 247 R HN 0.201 nan 8.270 nan 0.000 0.484 248 K N 0.095 120.428 120.400 -0.112 0.000 2.435 248 K HA 0.074 4.395 4.320 0.001 0.000 0.199 248 K C -0.048 176.441 176.600 -0.184 0.000 1.153 248 K CA 0.342 56.556 56.287 -0.122 0.000 0.974 248 K CB 0.797 33.250 32.500 -0.078 0.000 0.997 248 K HN 0.089 nan 8.250 nan 0.000 0.547 249 S N -1.165 114.394 115.700 -0.235 0.000 2.776 249 S HA 0.351 4.822 4.470 0.001 0.000 0.292 249 S C -1.055 173.266 174.600 -0.466 0.000 1.187 249 S CA -1.034 56.964 58.200 -0.337 0.000 0.834 249 S CB 0.667 63.750 63.200 -0.194 0.000 1.199 249 S HN 0.094 nan 8.310 nan 0.000 0.514 250 H N 1.841 120.643 119.070 -0.447 0.000 3.015 250 H HA 0.342 4.898 4.556 0.001 0.000 0.268 250 H C 0.799 175.920 175.328 -0.345 0.000 1.113 250 H CA 0.925 56.577 56.048 -0.659 0.000 1.479 250 H CB 0.610 29.503 29.762 -1.449 0.000 1.493 250 H HN 0.887 nan 8.280 nan 0.000 0.486 251 T N -1.063 113.374 114.554 -0.195 0.000 3.003 251 T HA 0.034 4.385 4.350 0.001 0.000 0.261 251 T C 1.010 175.658 174.700 -0.087 0.000 1.003 251 T CA -0.456 61.500 62.100 -0.240 0.000 0.917 251 T CB 0.369 68.812 68.868 -0.710 0.000 1.084 251 T HN 0.308 nan 8.240 nan 0.000 0.522 252 S N 1.435 117.153 115.700 0.029 0.000 2.488 252 S HA 0.336 4.806 4.470 0.001 0.000 0.278 252 S C 1.216 176.034 174.600 0.363 0.000 1.259 252 S CA -0.653 57.632 58.200 0.141 0.000 1.061 252 S CB -0.127 63.149 63.200 0.127 0.000 0.910 252 S HN 0.442 nan 8.310 nan 0.000 0.491 253 L N 3.802 125.208 121.223 0.305 0.000 2.191 253 L HA -0.065 4.276 4.340 0.001 0.000 0.212 253 L C 1.777 178.770 176.870 0.205 0.000 1.103 253 L CA 0.904 55.964 54.840 0.366 0.000 0.769 253 L CB -0.315 41.916 42.059 0.287 0.000 0.908 253 L HN 0.564 nan 8.230 nan 0.000 0.438 254 D N -1.097 119.366 120.400 0.106 0.000 2.224 254 D HA -0.195 4.446 4.640 0.001 0.000 0.205 254 D C 1.700 178.021 176.300 0.035 0.000 0.965 254 D CA 0.750 54.735 54.000 -0.025 0.000 0.852 254 D CB -0.072 40.721 40.800 -0.012 0.000 0.947 254 D HN 0.398 nan 8.370 nan 0.000 0.494 255 W N 0.463 121.732 121.300 -0.050 0.000 2.407 255 W HA -0.187 4.473 4.660 0.001 0.000 0.305 255 W C 1.832 178.277 176.519 -0.125 0.000 1.196 255 W CA 1.186 58.449 57.345 -0.137 0.000 1.311 255 W CB -0.600 28.712 29.460 -0.247 0.000 1.135 255 W HN -0.062 nan 8.180 nan 0.000 0.514 256 Y N 0.845 121.276 120.300 0.218 0.000 2.165 256 Y HA -0.267 4.283 4.550 0.001 0.000 0.286 256 Y C 2.668 178.696 175.900 0.213 0.000 1.155 256 Y CA 2.394 60.604 58.100 0.183 0.000 1.164 256 Y CB -0.885 37.723 38.460 0.247 0.000 0.978 256 Y HN -0.047 nan 8.280 nan 0.000 0.513 257 K N 0.310 120.777 120.400 0.112 0.000 2.025 257 K HA -0.162 4.159 4.320 0.001 0.000 0.207 257 K C 2.265 178.885 176.600 0.033 0.000 1.049 257 K CA 1.204 57.423 56.287 -0.113 0.000 0.933 257 K CB -0.326 31.660 32.500 -0.858 0.000 0.714 257 K HN 0.236 nan 8.250 nan 0.000 0.438 258 A N 1.157 123.925 122.820 -0.088 0.000 2.015 258 A HA -0.100 4.220 4.320 0.001 0.000 0.219 258 A C 1.586 179.160 177.584 -0.016 0.000 1.163 258 A CA 1.264 53.266 52.037 -0.059 0.000 0.646 258 A CB -0.240 18.671 19.000 -0.148 0.000 0.806 258 A HN 0.340 nan 8.150 nan 0.000 0.448 259 E N -1.049 119.003 120.200 -0.247 0.000 2.502 259 E HA 0.140 4.491 4.350 0.001 0.000 0.194 259 E C 1.125 177.530 176.600 -0.325 0.000 1.062 259 E CA 0.653 56.829 56.400 -0.374 0.000 0.867 259 E CB -0.191 29.069 29.700 -0.734 0.000 0.888 259 E HN 0.783 nan 8.360 nan 0.000 0.510 260 G N 1.263 109.977 108.800 -0.144 0.000 2.132 260 G HA2 -0.269 3.692 3.960 0.001 0.000 0.228 260 G HA3 -0.269 3.692 3.960 0.001 0.000 0.228 260 G C -0.081 174.651 174.900 -0.280 0.000 1.000 260 G CA -0.258 44.584 45.100 -0.429 0.000 0.693 260 G HN 0.167 nan 8.290 nan 0.000 0.515 261 F N -0.038 119.955 119.950 0.072 0.000 2.412 261 F HA 0.608 5.135 4.527 0.001 0.000 0.348 261 F C 1.012 176.921 175.800 0.182 0.000 1.102 261 F CA -0.852 57.226 58.000 0.131 0.000 1.196 261 F CB 0.868 40.029 39.000 0.269 0.000 1.144 261 F HN -0.056 nan 8.300 nan 0.000 0.541 262 L N 6.594 127.902 121.223 0.142 0.000 2.380 262 L HA 0.188 4.528 4.340 0.001 0.000 0.273 262 L C -1.159 175.579 176.870 -0.220 0.000 1.138 262 L CA -1.412 53.419 54.840 -0.014 0.000 0.832 262 L CB 0.124 42.095 42.059 -0.146 0.000 1.124 262 L HN 0.372 nan 8.230 nan 0.000 0.454 263 P HA -0.188 nan 4.420 nan 0.000 0.215 263 P C 0.828 177.760 177.300 -0.613 0.000 1.153 263 P CA 1.332 63.831 63.100 -1.002 0.000 0.853 263 P CB 0.424 31.240 31.700 -1.474 0.000 0.788 264 E N 0.282 120.170 120.200 -0.520 0.000 2.153 264 E HA -0.102 4.249 4.350 0.001 0.000 0.194 264 E C 2.283 178.428 176.600 -0.758 0.000 0.988 264 E CA 1.565 57.654 56.400 -0.518 0.000 0.811 264 E CB -0.914 28.544 29.700 -0.403 0.000 0.746 264 E HN 0.267 nan 8.360 nan 0.000 0.466 265 A N 0.530 122.819 122.820 -0.884 0.000 1.874 265 A HA -0.059 4.262 4.320 0.001 0.000 0.214 265 A C 2.089 179.487 177.584 -0.311 0.000 1.189 265 A CA 0.852 52.408 52.037 -0.803 0.000 0.615 265 A CB -0.538 18.126 19.000 -0.560 0.000 0.830 265 A HN 0.259 nan 8.150 nan 0.000 0.443 266 L N 0.239 121.333 121.223 -0.214 0.000 2.046 266 L HA -0.118 4.223 4.340 0.001 0.000 0.208 266 L C 2.424 179.234 176.870 -0.100 0.000 1.077 266 L CA 2.333 57.118 54.840 -0.092 0.000 0.747 266 L CB -0.674 41.340 42.059 -0.074 0.000 0.896 266 L HN 0.474 nan 8.230 nan 0.000 0.432 267 R N -0.228 120.141 120.500 -0.218 0.000 2.073 267 R HA -0.238 4.103 4.340 0.001 0.000 0.234 267 R C 2.189 178.351 176.300 -0.230 0.000 1.134 267 R CA 2.084 58.055 56.100 -0.214 0.000 0.952 267 R CB -0.706 29.430 30.300 -0.274 0.000 0.850 267 R HN 0.667 nan 8.270 nan 0.000 0.433 268 N N -0.902 117.637 118.700 -0.268 0.000 2.166 268 N HA -0.240 4.500 4.740 0.001 0.000 0.186 268 N C 1.833 177.229 175.510 -0.191 0.000 1.019 268 N CA 1.082 53.928 53.050 -0.340 0.000 0.856 268 N CB -0.161 38.148 38.487 -0.298 0.000 0.993 268 N HN 0.247 nan 8.380 nan 0.000 0.426 269 Y N 1.319 121.503 120.300 -0.193 0.000 2.242 269 Y HA -0.004 4.547 4.550 0.001 0.000 0.291 269 Y C 1.841 177.706 175.900 -0.058 0.000 1.137 269 Y CA 1.098 59.123 58.100 -0.126 0.000 1.181 269 Y CB -0.268 38.084 38.460 -0.180 0.000 0.989 269 Y HN 0.082 nan 8.280 nan 0.000 0.527 270 L N -1.585 119.598 121.223 -0.067 0.000 2.131 270 L HA -0.278 4.063 4.340 0.001 0.000 0.210 270 L C 2.508 179.452 176.870 0.123 0.000 1.092 270 L CA 1.032 55.891 54.840 0.031 0.000 0.759 270 L CB -0.828 41.328 42.059 0.163 0.000 0.903 270 L HN 0.306 nan 8.230 nan 0.000 0.435 271 C N -0.045 119.207 119.300 -0.081 0.000 2.429 271 C HA -0.147 4.313 4.460 0.001 0.000 0.277 271 C C 2.612 177.795 174.990 0.321 0.000 1.262 271 C CA 0.483 59.400 59.018 -0.169 0.000 1.733 271 C CB -0.771 26.696 27.740 -0.455 0.000 2.010 271 C HN 0.447 nan 8.230 nan 0.000 0.483 272 L N 0.052 121.394 121.223 0.198 0.000 2.465 272 L HA -0.104 4.237 4.340 0.001 0.000 0.224 272 L C 2.521 179.452 176.870 0.102 0.000 1.145 272 L CA 0.589 55.555 54.840 0.210 0.000 0.834 272 L CB -0.493 41.621 42.059 0.091 0.000 0.944 272 L HN 0.370 nan 8.230 nan 0.000 0.451 273 M N -0.633 119.001 119.600 0.057 0.000 2.156 273 M HA 0.004 4.485 4.480 0.001 0.000 0.264 273 M C 1.752 178.170 176.300 0.197 0.000 1.067 273 M CA 1.350 56.648 55.300 -0.002 0.000 1.131 273 M CB -0.988 31.502 32.600 -0.183 0.000 1.368 273 M HN 0.245 nan 8.290 nan 0.000 0.416 274 G N -1.656 107.417 108.800 0.455 0.000 3.993 274 G HA2 0.372 4.333 3.960 0.001 0.000 0.294 274 G HA3 0.372 4.333 3.960 0.001 0.000 0.294 274 G C -0.650 174.611 174.900 0.603 0.000 1.043 274 G CA -0.088 45.220 45.100 0.346 0.000 0.839 274 G HN 0.284 nan 8.290 nan 0.000 0.516 275 F N 1.090 121.303 119.950 0.438 0.000 2.725 275 F HA 0.574 5.102 4.527 0.002 0.000 0.309 275 F C -1.182 174.786 175.800 0.279 0.000 1.132 275 F CA -0.874 57.371 58.000 0.408 0.000 0.957 275 F CB 1.511 40.932 39.000 0.702 0.000 1.286 275 F HN 0.143 nan 8.300 nan 0.000 0.440 276 S N 4.673 119.930 115.700 -0.739 0.000 2.541 276 S HA 0.719 5.190 4.470 0.001 0.000 0.280 276 S C -1.069 173.039 174.600 -0.820 0.000 1.112 276 S CA -0.836 57.093 58.200 -0.451 0.000 0.925 276 S CB 1.916 64.980 63.200 -0.227 0.000 1.067 276 S HN 0.829 nan 8.310 nan 0.000 0.479 277 M N 2.794 122.207 119.600 -0.311 0.000 2.242 277 M HA 0.420 4.900 4.480 0.001 0.000 0.344 277 M C -1.886 174.305 176.300 -0.182 0.000 1.140 277 M CA -1.855 53.312 55.300 -0.223 0.000 1.160 277 M CB 0.542 33.051 32.600 -0.152 0.000 1.491 277 M HN 0.481 nan 8.290 nan 0.000 0.459 278 P HA -0.175 nan 4.420 nan 0.000 0.216 278 P C 0.257 177.523 177.300 -0.057 0.000 1.153 278 P CA 1.407 64.449 63.100 -0.096 0.000 0.858 278 P CB -0.090 31.573 31.700 -0.062 0.000 0.789 279 D N -2.372 118.006 120.400 -0.036 0.000 2.355 279 D HA 0.066 4.706 4.640 0.001 0.000 0.218 279 D C 1.462 177.765 176.300 0.006 0.000 1.004 279 D CA 0.899 54.893 54.000 -0.009 0.000 0.880 279 D CB -0.894 39.909 40.800 0.005 0.000 0.911 279 D HN 0.259 nan 8.370 nan 0.000 0.528 280 G N 0.282 109.083 108.800 0.002 0.000 2.195 280 G HA2 -0.322 3.639 3.960 0.001 0.000 0.246 280 G HA3 -0.322 3.639 3.960 0.001 0.000 0.246 280 G C 0.275 175.233 174.900 0.097 0.000 0.984 280 G CA -0.097 45.023 45.100 0.033 0.000 0.633 280 G HN 0.442 nan 8.290 nan 0.000 0.525 281 R N 0.538 121.109 120.500 0.117 0.000 2.638 281 R HA 0.271 4.612 4.340 0.001 0.000 0.268 281 R C 1.061 177.583 176.300 0.371 0.000 1.006 281 R CA 0.853 57.079 56.100 0.211 0.000 1.088 281 R CB 0.345 30.775 30.300 0.217 0.000 0.950 281 R HN 0.540 nan 8.270 nan 0.000 0.419 282 E N 1.407 121.826 120.200 0.364 0.000 2.389 282 E HA 0.088 4.439 4.350 0.001 0.000 0.199 282 E C 0.072 176.817 176.600 0.242 0.000 0.978 282 E CA 0.268 56.905 56.400 0.396 0.000 0.912 282 E CB 0.526 30.425 29.700 0.332 0.000 0.907 282 E HN 0.356 nan 8.360 nan 0.000 0.494 283 I N 2.328 123.024 120.570 0.211 0.000 2.330 283 I HA 0.294 4.465 4.170 0.001 0.000 0.289 283 I C -0.522 175.672 176.117 0.130 0.000 1.001 283 I CA -0.403 60.892 61.300 -0.008 0.000 1.193 283 I CB -0.318 37.616 38.000 -0.110 0.000 1.345 283 I HN -0.073 nan 8.210 nan 0.000 0.461 284 F N 2.332 122.348 119.950 0.111 0.000 2.713 284 F HA 0.652 5.180 4.527 0.001 0.000 0.311 284 F C 0.093 175.967 175.800 0.124 0.000 1.141 284 F CA -1.172 56.890 58.000 0.104 0.000 0.939 284 F CB 0.873 39.955 39.000 0.136 0.000 1.325 284 F HN 0.358 nan 8.300 nan 0.000 0.453 285 T N -0.695 114.053 114.554 0.323 0.000 2.847 285 T HA 0.323 4.673 4.350 0.001 0.000 0.279 285 T C 0.702 175.565 174.700 0.273 0.000 0.984 285 T CA -0.372 61.854 62.100 0.210 0.000 0.988 285 T CB 1.341 70.296 68.868 0.146 0.000 1.040 285 T HN 0.925 nan 8.240 nan 0.000 0.528 286 L N 0.343 121.660 121.223 0.157 0.000 2.083 286 L HA 0.075 4.416 4.340 0.001 0.000 0.209 286 L C 2.538 179.543 176.870 0.226 0.000 1.083 286 L CA 1.998 56.947 54.840 0.181 0.000 0.752 286 L CB -1.197 40.906 42.059 0.073 0.000 0.899 286 L HN 0.922 nan 8.230 nan 0.000 0.433 287 E N 0.157 120.450 120.200 0.156 0.000 2.077 287 E HA -0.233 4.118 4.350 0.001 0.000 0.193 287 E C 2.050 178.709 176.600 0.099 0.000 0.989 287 E CA 1.793 58.256 56.400 0.105 0.000 0.800 287 E CB -0.183 29.560 29.700 0.072 0.000 0.746 287 E HN 0.643 nan 8.360 nan 0.000 0.452 288 E N -0.826 119.465 120.200 0.152 0.000 2.110 288 E HA -0.158 4.193 4.350 0.001 0.000 0.193 288 E C 1.824 178.481 176.600 0.095 0.000 0.988 288 E CA 0.909 57.382 56.400 0.122 0.000 0.804 288 E CB -0.307 29.500 29.700 0.178 0.000 0.745 288 E HN 0.308 nan 8.360 nan 0.000 0.458 289 F N 1.616 121.584 119.950 0.030 0.000 2.102 289 F HA -0.189 4.339 4.527 0.001 0.000 0.298 289 F C 1.932 177.628 175.800 -0.173 0.000 1.105 289 F CA 1.340 59.278 58.000 -0.103 0.000 1.239 289 F CB -0.256 38.761 39.000 0.030 0.000 0.991 289 F HN -0.100 nan 8.300 nan 0.000 0.474 290 I N 0.234 120.670 120.570 -0.224 0.000 2.226 290 I HA -0.338 3.833 4.170 0.001 0.000 0.245 290 I C 2.401 178.377 176.117 -0.236 0.000 1.100 290 I CA 1.596 62.687 61.300 -0.347 0.000 1.374 290 I CB -0.684 37.203 38.000 -0.187 0.000 1.057 290 I HN 0.257 nan 8.210 nan 0.000 0.413 291 Q N 0.477 120.199 119.800 -0.129 0.000 2.124 291 Q HA -0.145 4.196 4.340 0.001 0.000 0.202 291 Q C 2.142 178.094 176.000 -0.080 0.000 0.977 291 Q CA 1.679 57.431 55.803 -0.085 0.000 0.850 291 Q CB -0.218 28.495 28.738 -0.042 0.000 0.901 291 Q HN 0.581 nan 8.270 nan 0.000 0.429 292 A N -0.081 122.680 122.820 -0.099 0.000 2.238 292 A HA 0.087 4.407 4.320 0.001 0.000 0.210 292 A C 0.295 177.843 177.584 -0.059 0.000 1.179 292 A CA -0.518 51.497 52.037 -0.037 0.000 0.827 292 A CB -0.099 18.920 19.000 0.032 0.000 0.856 292 A HN 0.304 nan 8.150 nan 0.000 0.488 293 F N 1.353 121.021 119.950 -0.471 0.000 2.608 293 F HA 0.404 4.931 4.527 0.001 0.000 0.380 293 F C 0.542 176.188 175.800 -0.258 0.000 1.083 293 F CA 1.487 59.087 58.000 -0.667 0.000 1.266 293 F CB 0.535 38.938 39.000 -0.995 0.000 1.076 293 F HN 0.015 nan 8.300 nan 0.000 0.574 294 T N 5.204 119.082 114.554 -1.127 0.000 3.159 294 T HA 0.129 4.480 4.350 0.001 0.000 0.343 294 T C -0.002 174.198 174.700 -0.834 0.000 1.364 294 T CA -0.660 61.015 62.100 -0.708 0.000 1.102 294 T CB 0.088 68.846 68.868 -0.182 0.000 1.263 294 T HN 0.671 nan 8.240 nan 0.000 0.477 295 W N 1.867 122.905 121.300 -0.437 0.000 2.421 295 W HA 0.062 4.723 4.660 0.001 0.000 0.270 295 W C 1.989 178.447 176.519 -0.101 0.000 1.233 295 W CA 0.599 57.794 57.345 -0.250 0.000 1.226 295 W CB 0.064 29.435 29.460 -0.148 0.000 1.121 295 W HN 0.789 nan 8.180 nan 0.000 0.579 296 E N 0.218 120.469 120.200 0.084 0.000 2.265 296 E HA -0.124 4.226 4.350 0.001 0.000 0.196 296 E C 1.524 178.130 176.600 0.011 0.000 0.996 296 E CA 0.717 57.152 56.400 0.058 0.000 0.832 296 E CB -0.229 29.490 29.700 0.031 0.000 0.756 296 E HN 0.363 nan 8.360 nan 0.000 0.491 297 R N 0.696 121.176 120.500 -0.033 0.000 2.507 297 R HA 0.176 4.516 4.340 0.001 0.000 0.298 297 R C -0.523 175.763 176.300 -0.023 0.000 0.999 297 R CA -0.111 55.915 56.100 -0.122 0.000 1.082 297 R CB 1.022 31.096 30.300 -0.376 0.000 1.246 297 R HN -0.073 nan 8.270 nan 0.000 0.553 298 V N 1.529 121.524 119.914 0.135 0.000 2.348 298 V HA 0.089 4.210 4.120 0.001 0.000 0.270 298 V C 0.546 176.747 176.094 0.178 0.000 1.037 298 V CA -0.270 62.183 62.300 0.255 0.000 0.872 298 V CB 1.308 33.369 31.823 0.397 0.000 1.002 298 V HN 0.150 nan 8.190 nan 0.000 0.464 299 S N 4.245 120.030 115.700 0.143 0.000 2.585 299 S HA 0.360 4.830 4.470 0.001 0.000 0.273 299 S C 0.891 175.561 174.600 0.117 0.000 1.339 299 S CA -0.389 57.872 58.200 0.103 0.000 1.028 299 S CB 0.580 63.828 63.200 0.079 0.000 0.906 299 S HN 0.619 nan 8.310 nan 0.000 0.528 300 L N 3.168 124.446 121.223 0.092 0.000 2.590 300 L HA 0.316 4.657 4.340 0.001 0.000 0.227 300 L C 1.555 178.470 176.870 0.075 0.000 1.099 300 L CA -0.134 54.761 54.840 0.091 0.000 0.872 300 L CB -0.642 41.462 42.059 0.075 0.000 1.088 300 L HN 0.730 nan 8.230 nan 0.000 0.479 301 G N -0.069 108.768 108.800 0.063 0.000 2.606 301 G HA2 0.324 4.285 3.960 0.001 0.000 0.252 301 G HA3 0.324 4.285 3.960 0.001 0.000 0.252 301 G C 0.226 175.160 174.900 0.056 0.000 1.206 301 G CA -0.059 45.072 45.100 0.050 0.000 0.861 301 G HN 0.170 nan 8.290 nan 0.000 0.561 302 G N 0.552 109.380 108.800 0.045 0.000 2.367 302 G HA2 0.466 4.427 3.960 0.001 0.000 0.280 302 G HA3 0.466 4.427 3.960 0.001 0.000 0.280 302 G C -2.449 172.474 174.900 0.038 0.000 1.175 302 G CA -0.601 44.526 45.100 0.044 0.000 1.001 302 G HN 0.415 nan 8.290 nan 0.000 0.437 303 P HA 0.208 nan 4.420 nan 0.000 0.276 303 P C -0.182 177.131 177.300 0.022 0.000 1.243 303 P CA -0.427 62.681 63.100 0.013 0.000 0.768 303 P CB 1.508 33.195 31.700 -0.021 0.000 0.856 304 V N 5.196 125.134 119.914 0.041 0.000 2.406 304 V HA 0.155 4.275 4.120 0.001 0.000 0.272 304 V C 0.085 176.263 176.094 0.139 0.000 1.043 304 V CA -0.311 62.042 62.300 0.089 0.000 0.915 304 V CB -0.031 31.841 31.823 0.082 0.000 0.988 304 V HN 0.428 nan 8.190 nan 0.000 0.466 305 F N 5.080 125.067 119.950 0.061 0.000 2.405 305 F HA 0.350 4.878 4.527 0.001 0.000 0.358 305 F C 0.333 176.265 175.800 0.219 0.000 1.151 305 F CA -0.727 57.372 58.000 0.166 0.000 1.161 305 F CB 0.398 39.455 39.000 0.095 0.000 1.245 305 F HN 0.517 nan 8.300 nan 0.000 0.545 306 D N 6.114 126.626 120.400 0.186 0.000 2.396 306 D HA 0.057 4.698 4.640 0.001 0.000 0.225 306 D C 1.006 177.301 176.300 -0.008 0.000 1.121 306 D CA -0.293 53.785 54.000 0.130 0.000 0.853 306 D CB 1.017 41.875 40.800 0.097 0.000 1.043 306 D HN 0.604 nan 8.370 nan 0.000 0.500 307 L N 4.353 125.685 121.223 0.181 0.000 2.081 307 L HA -0.159 4.182 4.340 0.001 0.000 0.212 307 L C 1.579 178.525 176.870 0.127 0.000 1.080 307 L CA 1.955 56.921 54.840 0.210 0.000 0.754 307 L CB -0.243 42.015 42.059 0.332 0.000 0.893 307 L HN 0.349 nan 8.230 nan 0.000 0.433 308 E N -0.449 119.816 120.200 0.109 0.000 2.106 308 E HA -0.218 4.133 4.350 0.001 0.000 0.192 308 E C 2.133 178.779 176.600 0.076 0.000 0.984 308 E CA 1.094 57.559 56.400 0.108 0.000 0.806 308 E CB -0.196 29.557 29.700 0.088 0.000 0.750 308 E HN 0.342 nan 8.360 nan 0.000 0.458 309 K N 0.548 120.932 120.400 -0.027 0.000 2.103 309 K HA 0.012 4.333 4.320 0.001 0.000 0.204 309 K C 1.877 178.371 176.600 -0.176 0.000 1.052 309 K CA 0.709 56.962 56.287 -0.056 0.000 0.945 309 K CB -0.339 32.112 32.500 -0.081 0.000 0.722 309 K HN 0.162 nan 8.250 nan 0.000 0.443 310 L N 0.439 121.361 121.223 -0.502 0.000 2.056 310 L HA -0.162 4.178 4.340 0.001 0.000 0.207 310 L C 2.101 179.003 176.870 0.053 0.000 1.078 310 L CA 1.524 56.045 54.840 -0.533 0.000 0.749 310 L CB -0.193 41.532 42.059 -0.557 0.000 0.901 310 L HN 0.251 nan 8.230 nan 0.000 0.433 311 R N -1.202 119.432 120.500 0.222 0.000 2.096 311 R HA -0.245 4.096 4.340 0.001 0.000 0.235 311 R C 1.973 178.357 176.300 0.140 0.000 1.127 311 R CA 1.947 58.204 56.100 0.261 0.000 0.968 311 R CB -0.572 29.871 30.300 0.238 0.000 0.861 311 R HN 0.509 nan 8.270 nan 0.000 0.440 312 W N 1.478 122.774 121.300 -0.008 0.000 2.355 312 W HA -0.169 4.492 4.660 0.002 0.000 0.309 312 W C 2.146 178.661 176.519 -0.006 0.000 1.206 312 W CA 1.376 58.711 57.345 -0.018 0.000 1.284 312 W CB -0.223 29.223 29.460 -0.025 0.000 1.145 312 W HN -0.055 nan 8.180 nan 0.000 0.502 313 M N 0.685 120.276 119.600 -0.016 0.000 2.132 313 M HA -0.212 4.269 4.480 0.001 0.000 0.263 313 M C 1.916 178.157 176.300 -0.097 0.000 1.065 313 M CA 2.323 57.513 55.300 -0.183 0.000 1.122 313 M CB -0.611 32.042 32.600 0.090 0.000 1.365 313 M HN 0.080 nan 8.290 nan 0.000 0.411 314 N N 0.076 118.754 118.700 -0.037 0.000 2.069 314 N HA -0.104 4.637 4.740 0.001 0.000 0.191 314 N C 1.635 177.076 175.510 -0.114 0.000 1.031 314 N CA 1.984 55.013 53.050 -0.036 0.000 0.852 314 N CB -0.560 37.923 38.487 -0.006 0.000 1.018 314 N HN 0.465 nan 8.380 nan 0.000 0.423 315 G N 0.205 108.885 108.800 -0.199 0.000 2.422 315 G HA2 -0.291 3.670 3.960 0.001 0.000 0.218 315 G HA3 -0.291 3.670 3.960 0.001 0.000 0.218 315 G C 1.514 176.211 174.900 -0.338 0.000 1.146 315 G CA 0.985 45.920 45.100 -0.275 0.000 0.769 315 G HN 0.398 nan 8.290 nan 0.000 0.547 316 K N -0.899 119.220 120.400 -0.468 0.000 2.148 316 K HA -0.034 4.287 4.320 0.001 0.000 0.204 316 K C 2.070 178.462 176.600 -0.346 0.000 1.050 316 K CA 0.758 56.740 56.287 -0.508 0.000 0.942 316 K CB -0.297 31.708 32.500 -0.825 0.000 0.724 316 K HN 0.404 nan 8.250 nan 0.000 0.446 317 Y N 0.709 120.822 120.300 -0.312 0.000 2.220 317 Y HA -0.083 4.468 4.550 0.001 0.000 0.291 317 Y C 1.957 177.734 175.900 -0.206 0.000 1.129 317 Y CA 1.350 59.316 58.100 -0.223 0.000 1.161 317 Y CB 0.070 38.419 38.460 -0.185 0.000 0.997 317 Y HN -0.008 nan 8.280 nan 0.000 0.522 318 I N 0.292 120.817 120.570 -0.076 0.000 2.286 318 I HA -0.312 3.858 4.170 0.001 0.000 0.248 318 I C 1.976 177.966 176.117 -0.212 0.000 1.115 318 I CA 1.807 63.014 61.300 -0.156 0.000 1.392 318 I CB -0.234 37.611 38.000 -0.259 0.000 1.065 318 I HN 0.294 nan 8.210 nan 0.000 0.418 319 R N -0.030 120.324 120.500 -0.243 0.000 2.335 319 R HA 0.189 4.530 4.340 0.001 0.000 0.210 319 R C 1.114 177.303 176.300 -0.184 0.000 0.892 319 R CA 0.178 56.145 56.100 -0.222 0.000 1.048 319 R CB 0.062 30.215 30.300 -0.244 0.000 1.067 319 R HN 0.300 nan 8.270 nan 0.000 0.524 320 E N 0.537 120.613 120.200 -0.207 0.000 2.508 320 E HA 0.100 4.451 4.350 0.001 0.000 0.217 320 E C 1.184 177.659 176.600 -0.208 0.000 0.896 320 E CA 0.068 56.351 56.400 -0.195 0.000 1.118 320 E CB 1.172 30.745 29.700 -0.212 0.000 1.133 320 E HN 0.030 nan 8.360 nan 0.000 0.526 321 V N 0.871 120.637 119.914 -0.247 0.000 2.627 321 V HA 0.051 4.171 4.120 0.001 0.000 0.239 321 V C 0.785 176.810 176.094 -0.115 0.000 1.077 321 V CA 0.497 62.649 62.300 -0.247 0.000 1.103 321 V CB 0.085 31.619 31.823 -0.481 0.000 0.802 321 V HN 0.039 nan 8.190 nan 0.000 0.482 322 L N 0.969 122.151 121.223 -0.069 0.000 2.456 322 L HA 0.379 4.720 4.340 0.001 0.000 0.257 322 L C 0.751 177.585 176.870 -0.061 0.000 1.162 322 L CA 0.663 55.480 54.840 -0.039 0.000 0.808 322 L CB 0.762 42.810 42.059 -0.018 0.000 1.136 322 L HN 0.400 nan 8.230 nan 0.000 0.466 323 S N 0.348 116.018 115.700 -0.049 0.000 2.652 323 S HA 0.301 4.771 4.470 0.001 0.000 0.270 323 S C 1.078 175.642 174.600 -0.061 0.000 1.243 323 S CA -0.640 57.529 58.200 -0.052 0.000 0.999 323 S CB 0.535 63.712 63.200 -0.039 0.000 0.973 323 S HN 0.655 nan 8.310 nan 0.000 0.544 324 L N 0.341 121.527 121.223 -0.061 0.000 2.042 324 L HA -0.133 4.208 4.340 0.001 0.000 0.210 324 L C 2.421 179.247 176.870 -0.072 0.000 1.076 324 L CA 1.835 56.633 54.840 -0.069 0.000 0.749 324 L CB -0.533 41.491 42.059 -0.058 0.000 0.893 324 L HN 0.784 nan 8.230 nan 0.000 0.432 325 E N 0.099 120.266 120.200 -0.055 0.000 2.110 325 E HA -0.238 4.113 4.350 0.001 0.000 0.193 325 E C 2.026 178.591 176.600 -0.058 0.000 0.988 325 E CA 1.368 57.737 56.400 -0.051 0.000 0.804 325 E CB -0.064 29.618 29.700 -0.030 0.000 0.745 325 E HN 0.530 nan 8.360 nan 0.000 0.458 326 E N -0.170 120.000 120.200 -0.050 0.000 2.072 326 E HA -0.140 4.211 4.350 0.001 0.000 0.191 326 E C 2.073 178.637 176.600 -0.060 0.000 0.985 326 E CA 1.194 57.568 56.400 -0.043 0.000 0.801 326 E CB 0.021 29.703 29.700 -0.030 0.000 0.750 326 E HN 0.076 nan 8.360 nan 0.000 0.452 327 V N 1.428 121.295 119.914 -0.077 0.000 2.295 327 V HA -0.275 3.846 4.120 0.001 0.000 0.246 327 V C 2.353 178.344 176.094 -0.172 0.000 1.049 327 V CA 1.841 64.082 62.300 -0.098 0.000 1.024 327 V CB -0.753 31.016 31.823 -0.090 0.000 0.648 327 V HN 0.315 nan 8.190 nan 0.000 0.447 328 A N -0.536 122.169 122.820 -0.192 0.000 1.940 328 A HA -0.218 4.103 4.320 0.001 0.000 0.219 328 A C 2.215 179.645 177.584 -0.256 0.000 1.176 328 A CA 1.731 53.605 52.037 -0.271 0.000 0.631 328 A CB -0.414 18.459 19.000 -0.211 0.000 0.814 328 A HN 0.513 nan 8.150 nan 0.000 0.446 329 E N 0.025 120.134 120.200 -0.152 0.000 2.072 329 E HA -0.142 4.209 4.350 0.001 0.000 0.191 329 E C 2.195 178.745 176.600 -0.083 0.000 0.985 329 E CA 1.035 57.372 56.400 -0.105 0.000 0.801 329 E CB -0.350 29.322 29.700 -0.046 0.000 0.750 329 E HN 0.648 nan 8.360 nan 0.000 0.452 330 R N 0.638 121.103 120.500 -0.058 0.000 2.189 330 R HA -0.055 4.286 4.340 0.001 0.000 0.223 330 R C 2.360 178.698 176.300 0.063 0.000 1.092 330 R CA 1.144 57.255 56.100 0.020 0.000 0.989 330 R CB -0.289 30.031 30.300 0.034 0.000 0.876 330 R HN 0.147 nan 8.270 nan 0.000 0.457 331 V N -1.589 118.267 119.914 -0.096 0.000 3.306 331 V HA -0.015 4.105 4.120 0.001 0.000 0.264 331 V C 1.685 177.748 176.094 -0.053 0.000 1.149 331 V CA 0.847 63.093 62.300 -0.090 0.000 1.143 331 V CB -0.311 31.250 31.823 -0.437 0.000 0.767 331 V HN 0.082 nan 8.190 nan 0.000 0.476 332 K N 1.234 121.527 120.400 -0.179 0.000 2.009 332 K HA -0.096 4.225 4.320 0.001 0.000 0.210 332 K C 0.037 176.621 176.600 -0.026 0.000 1.049 332 K CA 2.189 58.338 56.287 -0.230 0.000 0.929 332 K CB -1.571 30.822 32.500 -0.180 0.000 0.714 332 K HN 0.455 nan 8.250 nan 0.000 0.440 333 P HA -0.152 nan 4.420 nan 0.000 0.218 333 P C 0.924 178.058 177.300 -0.277 0.000 1.148 333 P CA 1.317 64.309 63.100 -0.180 0.000 0.822 333 P CB -0.013 31.497 31.700 -0.318 0.000 0.784 334 F N -1.586 118.327 119.950 -0.063 0.000 2.293 334 F HA -0.027 4.501 4.527 0.002 0.000 0.297 334 F C 2.235 177.998 175.800 -0.061 0.000 1.089 334 F CA 0.862 58.820 58.000 -0.069 0.000 1.377 334 F CB -1.091 37.855 39.000 -0.090 0.000 1.051 334 F HN -0.198 nan 8.300 nan 0.000 0.511 335 L N -0.286 120.990 121.223 0.088 0.000 2.027 335 L HA -0.190 4.150 4.340 0.001 0.000 0.206 335 L C 2.553 179.463 176.870 0.066 0.000 1.074 335 L CA 1.412 56.263 54.840 0.019 0.000 0.745 335 L CB -0.544 41.475 42.059 -0.066 0.000 0.898 335 L HN 0.009 nan 8.230 nan 0.000 0.433 336 R N -0.204 120.359 120.500 0.104 0.000 2.091 336 R HA -0.222 4.119 4.340 0.001 0.000 0.238 336 R C 2.203 178.506 176.300 0.006 0.000 1.136 336 R CA 1.596 57.737 56.100 0.068 0.000 0.959 336 R CB -0.350 29.989 30.300 0.064 0.000 0.856 336 R HN 0.401 nan 8.270 nan 0.000 0.437 337 E N 0.649 120.832 120.200 -0.029 0.000 2.153 337 E HA -0.140 4.211 4.350 0.001 0.000 0.194 337 E C 1.373 177.966 176.600 -0.011 0.000 0.988 337 E CA 1.052 57.424 56.400 -0.047 0.000 0.811 337 E CB 0.051 29.690 29.700 -0.102 0.000 0.746 337 E HN 0.391 nan 8.360 nan 0.000 0.466 338 A N 0.071 122.897 122.820 0.011 0.000 2.251 338 A HA 0.265 4.586 4.320 0.001 0.000 0.209 338 A C 1.455 179.051 177.584 0.020 0.000 1.187 338 A CA 0.749 52.797 52.037 0.018 0.000 0.823 338 A CB -0.283 18.729 19.000 0.020 0.000 0.846 338 A HN 0.398 nan 8.150 nan 0.000 0.486 339 G N -0.766 108.044 108.800 0.017 0.000 2.225 339 G HA2 -0.193 3.767 3.960 0.001 0.000 0.264 339 G HA3 -0.193 3.767 3.960 0.001 0.000 0.264 339 G C -0.198 174.722 174.900 0.033 0.000 1.060 339 G CA 0.465 45.575 45.100 0.017 0.000 0.833 339 G HN 0.503 nan 8.290 nan 0.000 0.498 340 L N -0.144 121.105 121.223 0.043 0.000 2.362 340 L HA 0.824 5.165 4.340 0.001 0.000 0.271 340 L C 0.338 177.263 176.870 0.091 0.000 1.002 340 L CA -0.819 54.060 54.840 0.065 0.000 0.818 340 L CB 2.196 44.274 42.059 0.031 0.000 1.298 340 L HN 0.221 nan 8.230 nan 0.000 0.420 341 S N 1.111 116.866 115.700 0.091 0.000 2.715 341 S HA 0.764 5.235 4.470 0.001 0.000 0.307 341 S C -1.916 172.833 174.600 0.248 0.000 1.119 341 S CA -0.542 57.647 58.200 -0.018 0.000 0.937 341 S CB 1.367 64.445 63.200 -0.204 0.000 1.150 341 S HN 0.506 nan 8.310 nan 0.000 0.521 342 W N 1.309 122.654 121.300 0.074 0.000 2.839 342 W HA 0.633 5.294 4.660 0.002 0.000 0.334 342 W C 0.344 176.951 176.519 0.147 0.000 1.064 342 W CA -0.802 56.686 57.345 0.239 0.000 1.236 342 W CB 0.311 29.939 29.460 0.282 0.000 1.405 342 W HN 0.703 nan 8.180 nan 0.000 0.478 343 E N 1.853 122.165 120.200 0.186 0.000 2.114 343 E HA -0.203 4.148 4.350 0.001 0.000 0.199 343 E C 0.648 177.303 176.600 0.092 0.000 1.008 343 E CA 2.028 58.441 56.400 0.021 0.000 0.810 343 E CB 0.036 29.666 29.700 -0.118 0.000 0.739 343 E HN 0.522 nan 8.360 nan 0.000 0.456 344 S N -1.695 114.181 115.700 0.294 0.000 2.615 344 S HA 0.220 4.691 4.470 0.001 0.000 0.269 344 S C 0.271 175.159 174.600 0.480 0.000 1.161 344 S CA -0.988 57.395 58.200 0.306 0.000 0.817 344 S CB 1.640 64.963 63.200 0.204 0.000 1.131 344 S HN -0.139 nan 8.310 nan 0.000 0.467 345 E N 0.913 121.325 120.200 0.355 0.000 2.106 345 E HA -0.032 4.319 4.350 0.001 0.000 0.192 345 E C 2.210 178.928 176.600 0.196 0.000 0.984 345 E CA 1.565 58.132 56.400 0.277 0.000 0.806 345 E CB -0.752 29.060 29.700 0.188 0.000 0.750 345 E HN 0.749 nan 8.360 nan 0.000 0.458 346 A N 0.586 123.522 122.820 0.192 0.000 1.902 346 A HA -0.211 4.110 4.320 0.001 0.000 0.217 346 A C 2.148 179.843 177.584 0.184 0.000 1.181 346 A CA 1.427 53.555 52.037 0.153 0.000 0.623 346 A CB -0.772 18.312 19.000 0.140 0.000 0.818 346 A HN 0.320 nan 8.150 nan 0.000 0.443 347 Y N -0.066 120.322 120.300 0.146 0.000 2.109 347 Y HA -0.149 4.402 4.550 0.001 0.000 0.285 347 Y C 2.082 178.093 175.900 0.184 0.000 1.131 347 Y CA 1.818 60.012 58.100 0.156 0.000 1.121 347 Y CB -0.532 38.044 38.460 0.195 0.000 0.987 347 Y HN 0.241 nan 8.280 nan 0.000 0.495 348 L N 1.182 122.585 121.223 0.300 0.000 1.997 348 L HA -0.265 4.076 4.340 0.001 0.000 0.216 348 L C 2.619 179.485 176.870 -0.006 0.000 1.074 348 L CA 2.341 57.275 54.840 0.156 0.000 0.763 348 L CB -1.000 40.995 42.059 -0.108 0.000 0.890 348 L HN 0.302 nan 8.230 nan 0.000 0.434 349 R N -1.072 119.418 120.500 -0.016 0.000 2.117 349 R HA -0.197 4.144 4.340 0.001 0.000 0.243 349 R C 2.487 178.757 176.300 -0.049 0.000 1.143 349 R CA 1.370 57.443 56.100 -0.045 0.000 0.968 349 R CB -0.251 30.042 30.300 -0.012 0.000 0.863 349 R HN 0.302 nan 8.270 nan 0.000 0.444 350 R N 0.203 120.665 120.500 -0.065 0.000 2.075 350 R HA -0.023 4.318 4.340 0.001 0.000 0.232 350 R C 2.013 178.243 176.300 -0.117 0.000 1.126 350 R CA 1.488 57.532 56.100 -0.092 0.000 0.963 350 R CB -0.532 29.699 30.300 -0.116 0.000 0.858 350 R HN 0.333 nan 8.270 nan 0.000 0.435 351 A N 0.126 122.836 122.820 -0.183 0.000 1.902 351 A HA -0.109 4.212 4.320 0.001 0.000 0.217 351 A C 2.405 180.105 177.584 0.194 0.000 1.181 351 A CA 1.614 53.608 52.037 -0.072 0.000 0.623 351 A CB -0.585 18.393 19.000 -0.036 0.000 0.818 351 A HN 0.151 nan 8.150 nan 0.000 0.443 352 V N 0.072 120.045 119.914 0.099 0.000 2.343 352 V HA -0.267 3.854 4.120 0.001 0.000 0.247 352 V C 2.518 178.647 176.094 0.058 0.000 1.051 352 V CA 2.281 64.561 62.300 -0.034 0.000 1.036 352 V CB -0.719 30.950 31.823 -0.257 0.000 0.654 352 V HN 0.801 nan 8.190 nan 0.000 0.451 353 E N 0.086 120.291 120.200 0.008 0.000 2.077 353 E HA -0.218 4.132 4.350 0.001 0.000 0.193 353 E C 2.201 178.816 176.600 0.024 0.000 0.989 353 E CA 1.378 57.776 56.400 -0.003 0.000 0.800 353 E CB -0.115 29.574 29.700 -0.018 0.000 0.746 353 E HN 0.573 nan 8.360 nan 0.000 0.452 354 L N -0.049 121.202 121.223 0.047 0.000 2.156 354 L HA -0.101 4.240 4.340 0.001 0.000 0.208 354 L C 2.448 179.382 176.870 0.107 0.000 1.095 354 L CA 0.527 55.399 54.840 0.055 0.000 0.770 354 L CB -0.148 41.930 42.059 0.032 0.000 0.914 354 L HN 0.306 nan 8.230 nan 0.000 0.439 355 M N -1.231 118.502 119.600 0.221 0.000 2.476 355 M HA -0.033 4.448 4.480 0.001 0.000 0.262 355 M C 2.102 178.603 176.300 0.334 0.000 1.111 355 M CA 0.813 56.334 55.300 0.369 0.000 1.127 355 M CB -0.794 32.184 32.600 0.629 0.000 1.376 355 M HN 0.153 nan 8.290 nan 0.000 0.465 356 R N 1.036 121.616 120.500 0.132 0.000 2.140 356 R HA -0.189 4.152 4.340 0.001 0.000 0.250 356 R C -1.033 175.018 176.300 -0.414 0.000 1.150 356 R CA 1.902 57.817 56.100 -0.308 0.000 0.966 356 R CB -1.108 29.076 30.300 -0.193 0.000 0.869 356 R HN 0.211 nan 8.270 nan 0.000 0.445 357 P HA 0.004 nan 4.420 nan 0.000 0.245 357 P C -0.115 177.122 177.300 -0.104 0.000 1.212 357 P CA 0.951 63.962 63.100 -0.148 0.000 0.774 357 P CB 0.233 31.890 31.700 -0.071 0.000 0.999 358 R N -1.059 119.410 120.500 -0.051 0.000 2.437 358 R HA 0.273 4.613 4.340 0.001 0.000 0.257 358 R C 0.031 176.415 176.300 0.140 0.000 0.927 358 R CA -0.031 56.103 56.100 0.058 0.000 1.078 358 R CB 0.144 30.522 30.300 0.129 0.000 1.161 358 R HN 0.249 nan 8.270 nan 0.000 0.529 359 F N -1.919 118.023 119.950 -0.013 0.000 2.556 359 F HA 0.525 5.053 4.527 0.001 0.000 0.314 359 F C -0.053 175.692 175.800 -0.091 0.000 1.106 359 F CA -1.239 56.737 58.000 -0.040 0.000 0.911 359 F CB 1.482 40.477 39.000 -0.009 0.000 1.190 359 F HN -0.296 nan 8.300 nan 0.000 0.448 360 D N 0.931 121.350 120.400 0.032 0.000 2.389 360 D HA 0.067 4.708 4.640 0.001 0.000 0.206 360 D C 0.405 176.618 176.300 -0.144 0.000 1.055 360 D CA 0.956 54.898 54.000 -0.097 0.000 0.856 360 D CB 0.846 41.604 40.800 -0.068 0.000 0.957 360 D HN 0.702 nan 8.370 nan 0.000 0.509 361 T N -2.638 111.854 114.554 -0.102 0.000 2.900 361 T HA 0.423 4.774 4.350 0.001 0.000 0.295 361 T C 1.282 175.840 174.700 -0.236 0.000 1.044 361 T CA -0.713 61.186 62.100 -0.335 0.000 0.995 361 T CB 1.595 70.088 68.868 -0.625 0.000 1.072 361 T HN -0.205 nan 8.240 nan 0.000 0.473 362 L N 0.906 121.860 121.223 -0.449 0.000 2.127 362 L HA -0.028 4.313 4.340 0.001 0.000 0.211 362 L C 2.839 179.153 176.870 -0.928 0.000 1.089 362 L CA 1.369 55.797 54.840 -0.687 0.000 0.757 362 L CB -0.447 41.060 42.059 -0.921 0.000 0.899 362 L HN 0.787 nan 8.230 nan 0.000 0.434 363 K N 0.576 120.415 120.400 -0.935 0.000 2.211 363 K HA -0.160 4.161 4.320 0.001 0.000 0.203 363 K C 1.764 178.190 176.600 -0.290 0.000 1.050 363 K CA 1.071 57.027 56.287 -0.552 0.000 0.945 363 K CB 0.119 32.420 32.500 -0.331 0.000 0.732 363 K HN 0.383 nan 8.250 nan 0.000 0.451 364 E N -0.317 119.718 120.200 -0.274 0.000 2.347 364 E HA -0.162 4.188 4.350 0.001 0.000 0.196 364 E C 1.527 177.995 176.600 -0.220 0.000 1.008 364 E CA 0.465 56.768 56.400 -0.162 0.000 0.852 364 E CB -0.098 29.573 29.700 -0.048 0.000 0.783 364 E HN 0.276 nan 8.360 nan 0.000 0.505 365 F N 2.271 121.853 119.950 -0.613 0.000 2.075 365 F HA -0.073 4.454 4.527 0.001 0.000 0.297 365 F C -0.983 174.615 175.800 -0.337 0.000 1.113 365 F CA 0.992 58.547 58.000 -0.740 0.000 1.218 365 F CB -1.012 37.330 39.000 -1.097 0.000 0.984 365 F HN -0.042 nan 8.300 nan 0.000 0.472 366 P HA -0.131 nan 4.420 nan 0.000 0.220 366 P C 1.127 178.305 177.300 -0.202 0.000 1.148 366 P CA 1.841 64.776 63.100 -0.276 0.000 0.803 366 P CB -0.078 31.572 31.700 -0.083 0.000 0.782 367 E N -0.256 119.849 120.200 -0.158 0.000 2.107 367 E HA -0.097 4.254 4.350 0.001 0.000 0.191 367 E C 1.628 178.180 176.600 -0.079 0.000 0.982 367 E CA 0.943 57.292 56.400 -0.085 0.000 0.809 367 E CB -0.178 29.488 29.700 -0.056 0.000 0.756 367 E HN 0.310 nan 8.360 nan 0.000 0.459 368 K N -0.322 119.998 120.400 -0.133 0.000 2.356 368 K HA 0.180 4.500 4.320 0.001 0.000 0.195 368 K C 1.079 177.575 176.600 -0.172 0.000 1.037 368 K CA 0.489 56.734 56.287 -0.070 0.000 1.014 368 K CB 0.848 33.338 32.500 -0.016 0.000 0.815 368 K HN -0.050 nan 8.250 nan 0.000 0.507 369 A N 0.926 123.472 122.820 -0.456 0.000 2.606 369 A HA 0.159 4.480 4.320 0.001 0.000 0.290 369 A C 1.408 178.538 177.584 -0.756 0.000 1.174 369 A CA -0.344 51.185 52.037 -0.846 0.000 0.958 369 A CB -0.052 18.386 19.000 -0.937 0.000 1.194 369 A HN 0.095 nan 8.150 nan 0.000 0.526 370 R N -0.079 120.204 120.500 -0.362 0.000 2.117 370 R HA -0.242 4.099 4.340 0.001 0.000 0.243 370 R C 1.705 177.950 176.300 -0.092 0.000 1.143 370 R CA 2.528 58.577 56.100 -0.085 0.000 0.968 370 R CB -0.530 29.801 30.300 0.053 0.000 0.863 370 R HN 0.790 nan 8.270 nan 0.000 0.444 371 Y N -1.256 118.980 120.300 -0.106 0.000 2.569 371 Y HA -0.026 4.524 4.550 0.001 0.000 0.293 371 Y C 1.380 177.116 175.900 -0.273 0.000 1.144 371 Y CA 0.413 58.326 58.100 -0.311 0.000 1.321 371 Y CB -0.372 37.652 38.460 -0.727 0.000 0.982 371 Y HN 0.022 nan 8.280 nan 0.000 0.558 372 L N -1.445 119.395 121.223 -0.638 0.000 2.567 372 L HA 0.123 4.464 4.340 0.001 0.000 0.225 372 L C 0.528 177.030 176.870 -0.612 0.000 1.119 372 L CA 0.314 54.778 54.840 -0.626 0.000 0.871 372 L CB -0.109 41.335 42.059 -1.025 0.000 1.036 372 L HN 0.217 nan 8.230 nan 0.000 0.459 373 F N -1.882 118.093 119.950 0.042 0.000 2.746 373 F HA 0.261 4.788 4.527 0.001 0.000 0.320 373 F C 0.724 176.576 175.800 0.086 0.000 1.097 373 F CA -0.180 57.887 58.000 0.111 0.000 1.195 373 F CB 0.796 39.865 39.000 0.116 0.000 1.056 373 F HN -0.211 nan 8.300 nan 0.000 0.562 374 T N -1.126 113.559 114.554 0.219 0.000 2.830 374 T HA 0.224 4.575 4.350 0.001 0.000 0.322 374 T C 0.168 175.038 174.700 0.283 0.000 1.501 374 T CA -0.394 61.829 62.100 0.205 0.000 1.036 374 T CB 1.468 70.448 68.868 0.186 0.000 1.379 374 T HN -0.101 nan 8.240 nan 0.000 0.493 375 E N 1.014 121.345 120.200 0.218 0.000 2.442 375 E HA 0.048 4.399 4.350 0.001 0.000 0.195 375 E C 0.414 177.047 176.600 0.055 0.000 1.030 375 E CA 0.253 56.797 56.400 0.241 0.000 0.869 375 E CB 0.212 29.979 29.700 0.110 0.000 0.857 375 E HN 0.599 nan 8.360 nan 0.000 0.505 376 D N 0.996 121.438 120.400 0.071 0.000 3.057 376 D HA -0.001 4.640 4.640 0.001 0.000 0.246 376 D C -0.680 175.637 176.300 0.028 0.000 1.238 376 D CA -0.313 53.670 54.000 -0.028 0.000 0.949 376 D CB -0.470 40.335 40.800 0.008 0.000 1.086 376 D HN 0.031 nan 8.370 nan 0.000 0.487 377 Y N -0.187 120.151 120.300 0.062 0.000 2.352 377 Y HA 0.649 5.199 4.550 0.001 0.000 0.326 377 Y C -2.233 173.701 175.900 0.056 0.000 1.166 377 Y CA -2.715 55.433 58.100 0.079 0.000 1.182 377 Y CB -0.365 38.178 38.460 0.139 0.000 1.216 377 Y HN -0.050 nan 8.280 nan 0.000 0.474 378 P HA 0.223 nan 4.420 nan 0.000 0.274 378 P C -1.119 176.265 177.300 0.140 0.000 1.231 378 P CA -0.398 62.757 63.100 0.092 0.000 0.790 378 P CB 2.018 33.770 31.700 0.087 0.000 0.951 379 V N 2.074 122.026 119.914 0.063 0.000 2.350 379 V HA 0.166 4.286 4.120 0.001 0.000 0.285 379 V C 0.938 177.057 176.094 0.042 0.000 1.014 379 V CA -0.580 61.761 62.300 0.069 0.000 0.831 379 V CB 0.898 32.740 31.823 0.032 0.000 1.000 379 V HN 0.803 nan 8.190 nan 0.000 0.433 380 S N 2.999 118.725 115.700 0.044 0.000 2.576 380 S HA 0.105 4.576 4.470 0.001 0.000 0.272 380 S C 1.001 175.613 174.600 0.019 0.000 1.352 380 S CA -0.199 58.019 58.200 0.030 0.000 1.021 380 S CB 0.967 64.183 63.200 0.027 0.000 0.887 380 S HN 0.716 nan 8.310 nan 0.000 0.542 381 E N 1.365 121.574 120.200 0.016 0.000 2.077 381 E HA -0.127 4.224 4.350 0.001 0.000 0.193 381 E C 1.883 178.489 176.600 0.009 0.000 0.989 381 E CA 1.510 57.917 56.400 0.011 0.000 0.800 381 E CB -0.232 29.475 29.700 0.011 0.000 0.746 381 E HN 0.799 nan 8.360 nan 0.000 0.452 382 K N 0.432 120.838 120.400 0.010 0.000 2.057 382 K HA -0.069 4.252 4.320 0.001 0.000 0.207 382 K C 2.099 178.701 176.600 0.003 0.000 1.049 382 K CA 1.205 57.496 56.287 0.007 0.000 0.931 382 K CB -0.149 32.355 32.500 0.007 0.000 0.714 382 K HN 0.163 nan 8.250 nan 0.000 0.440 383 A N 0.869 123.690 122.820 0.003 0.000 1.933 383 A HA -0.211 4.110 4.320 0.001 0.000 0.218 383 A C 2.065 179.650 177.584 0.002 0.000 1.175 383 A CA 1.639 53.675 52.037 -0.002 0.000 0.628 383 A CB -0.601 18.398 19.000 -0.002 0.000 0.814 383 A HN 0.426 nan 8.150 nan 0.000 0.444 384 Q N 0.172 119.976 119.800 0.007 0.000 2.050 384 Q HA -0.120 4.221 4.340 0.001 0.000 0.202 384 Q C 2.139 178.141 176.000 0.004 0.000 0.980 384 Q CA 2.003 57.809 55.803 0.005 0.000 0.840 384 Q CB -0.347 28.393 28.738 0.004 0.000 0.898 384 Q HN 0.660 nan 8.270 nan 0.000 0.424 385 R N -0.427 120.075 120.500 0.004 0.000 2.092 385 R HA -0.104 4.237 4.340 0.001 0.000 0.231 385 R C 2.147 178.450 176.300 0.004 0.000 1.119 385 R CA 1.398 57.500 56.100 0.004 0.000 0.970 385 R CB -0.129 30.173 30.300 0.005 0.000 0.864 385 R HN 0.039 nan 8.270 nan 0.000 0.440 386 K N 0.996 121.397 120.400 0.003 0.000 2.097 386 K HA -0.106 4.215 4.320 0.001 0.000 0.205 386 K C 1.810 178.412 176.600 0.004 0.000 1.050 386 K CA 0.878 57.166 56.287 0.002 0.000 0.938 386 K CB -0.349 32.149 32.500 -0.004 0.000 0.718 386 K HN 0.015 nan 8.250 nan 0.000 0.442 387 L N 1.164 122.389 121.223 0.002 0.000 2.017 387 L HA -0.094 4.246 4.340 0.001 0.000 0.208 387 L C 2.057 178.932 176.870 0.008 0.000 1.073 387 L CA 2.020 56.863 54.840 0.004 0.000 0.745 387 L CB -0.820 41.241 42.059 0.005 0.000 0.894 387 L HN 0.308 nan 8.230 nan 0.000 0.432 388 E N -0.146 120.058 120.200 0.006 0.000 2.085 388 E HA -0.296 4.054 4.350 0.001 0.000 0.194 388 E C 2.192 178.799 176.600 0.011 0.000 0.994 388 E CA 1.714 58.118 56.400 0.007 0.000 0.801 388 E CB -0.287 29.416 29.700 0.005 0.000 0.743 388 E HN 0.652 nan 8.360 nan 0.000 0.453 389 E N -1.077 119.131 120.200 0.012 0.000 2.110 389 E HA -0.133 4.218 4.350 0.001 0.000 0.193 389 E C 1.480 178.095 176.600 0.024 0.000 0.988 389 E CA 1.260 57.670 56.400 0.016 0.000 0.804 389 E CB -0.305 29.404 29.700 0.014 0.000 0.745 389 E HN 0.336 nan 8.360 nan 0.000 0.458 390 G N 0.435 109.251 108.800 0.026 0.000 3.337 390 G HA2 0.064 4.025 3.960 0.001 0.000 0.246 390 G HA3 0.064 4.025 3.960 0.001 0.000 0.246 390 G C 1.277 176.203 174.900 0.044 0.000 1.131 390 G CA -0.416 44.709 45.100 0.040 0.000 0.773 390 G HN 0.156 nan 8.290 nan 0.000 0.544 391 L N 1.226 122.468 121.223 0.031 0.000 2.013 391 L HA -0.085 4.256 4.340 0.001 0.000 0.212 391 L C 0.384 177.279 176.870 0.042 0.000 1.073 391 L CA 1.805 56.661 54.840 0.027 0.000 0.753 391 L CB -0.665 41.402 42.059 0.015 0.000 0.890 391 L HN 0.174 nan 8.230 nan 0.000 0.432 392 P HA -0.195 nan 4.420 nan 0.000 0.218 392 P C 1.930 179.295 177.300 0.109 0.000 1.148 392 P CA 1.479 64.618 63.100 0.065 0.000 0.822 392 P CB 0.061 31.794 31.700 0.054 0.000 0.784 393 L N -1.003 120.297 121.223 0.128 0.000 2.056 393 L HA -0.104 4.237 4.340 0.001 0.000 0.207 393 L C 2.829 179.802 176.870 0.171 0.000 1.078 393 L CA 1.140 56.118 54.840 0.230 0.000 0.749 393 L CB -0.772 41.425 42.059 0.230 0.000 0.901 393 L HN -0.109 nan 8.230 nan 0.000 0.433 394 L N -0.543 120.728 121.223 0.079 0.000 2.083 394 L HA -0.212 4.128 4.340 0.001 0.000 0.209 394 L C 2.727 179.624 176.870 0.044 0.000 1.083 394 L CA 0.928 55.781 54.840 0.022 0.000 0.752 394 L CB -0.625 41.450 42.059 0.026 0.000 0.899 394 L HN 0.238 nan 8.230 nan 0.000 0.433 395 K N 0.837 121.274 120.400 0.063 0.000 2.057 395 K HA -0.235 4.086 4.320 0.001 0.000 0.207 395 K C 1.896 178.566 176.600 0.117 0.000 1.049 395 K CA 1.636 57.965 56.287 0.070 0.000 0.931 395 K CB -0.056 32.472 32.500 0.047 0.000 0.714 395 K HN 0.334 nan 8.250 nan 0.000 0.440 396 E N 0.088 120.371 120.200 0.139 0.000 2.274 396 E HA -0.142 4.208 4.350 0.001 0.000 0.194 396 E C 1.888 178.543 176.600 0.092 0.000 0.996 396 E CA 0.322 56.839 56.400 0.194 0.000 0.840 396 E CB 0.082 29.980 29.700 0.330 0.000 0.772 396 E HN 0.108 nan 8.360 nan 0.000 0.491 397 L N 0.107 121.244 121.223 -0.143 0.000 2.179 397 L HA -0.083 4.258 4.340 0.001 0.000 0.208 397 L C 1.975 178.752 176.870 -0.155 0.000 1.096 397 L CA 1.322 55.865 54.840 -0.494 0.000 0.779 397 L CB -0.720 40.934 42.059 -0.675 0.000 0.922 397 L HN 0.173 nan 8.230 nan 0.000 0.443 398 Y N 1.515 121.750 120.300 -0.108 0.000 2.062 398 Y HA -0.269 4.282 4.550 0.001 0.000 0.276 398 Y C -0.590 175.306 175.900 -0.008 0.000 1.189 398 Y CA 2.612 60.692 58.100 -0.034 0.000 1.130 398 Y CB -1.865 36.590 38.460 -0.008 0.000 0.959 398 Y HN 0.233 nan 8.280 nan 0.000 0.499 399 P HA -0.215 nan 4.420 nan 0.000 0.215 399 P C 1.448 178.672 177.300 -0.128 0.000 1.157 399 P CA 2.335 65.370 63.100 -0.108 0.000 0.874 399 P CB -0.073 31.649 31.700 0.037 0.000 0.790 400 R N -0.947 119.505 120.500 -0.080 0.000 2.083 400 R HA -0.099 4.242 4.340 0.001 0.000 0.237 400 R C 2.182 178.442 176.300 -0.066 0.000 1.137 400 R CA 1.209 57.274 56.100 -0.058 0.000 0.951 400 R CB -1.958 28.306 30.300 -0.061 0.000 0.851 400 R HN 0.247 nan 8.270 nan 0.000 0.434 401 L N 0.784 121.950 121.223 -0.094 0.000 2.046 401 L HA -0.073 4.268 4.340 0.001 0.000 0.208 401 L C 2.660 179.567 176.870 0.061 0.000 1.077 401 L CA 1.573 56.426 54.840 0.022 0.000 0.747 401 L CB -0.681 41.416 42.059 0.064 0.000 0.896 401 L HN 0.122 nan 8.230 nan 0.000 0.432 402 R N -0.743 119.641 120.500 -0.194 0.000 2.120 402 R HA -0.120 4.221 4.340 0.001 0.000 0.234 402 R C 2.033 178.287 176.300 -0.077 0.000 1.123 402 R CA 1.242 57.213 56.100 -0.216 0.000 0.975 402 R CB -0.128 29.912 30.300 -0.434 0.000 0.866 402 R HN 0.363 nan 8.270 nan 0.000 0.446 403 A N 0.058 122.847 122.820 -0.052 0.000 2.123 403 A HA -0.032 4.289 4.320 0.001 0.000 0.214 403 A C 0.846 178.450 177.584 0.033 0.000 1.152 403 A CA -0.049 51.981 52.037 -0.011 0.000 0.728 403 A CB -0.023 18.969 19.000 -0.014 0.000 0.814 403 A HN 0.291 nan 8.150 nan 0.000 0.464 404 Q N 0.804 120.649 119.800 0.075 0.000 2.244 404 Q HA 0.016 4.357 4.340 0.001 0.000 0.278 404 Q C 0.851 176.952 176.000 0.168 0.000 1.093 404 Q CA 0.408 56.280 55.803 0.115 0.000 0.916 404 Q CB 0.481 29.302 28.738 0.138 0.000 1.159 404 Q HN 0.484 nan 8.270 nan 0.000 0.384 405 E N 3.819 124.083 120.200 0.107 0.000 2.102 405 E HA -0.073 4.278 4.350 0.001 0.000 0.190 405 E C -0.511 176.171 176.600 0.137 0.000 0.971 405 E CA 0.361 56.823 56.400 0.103 0.000 0.821 405 E CB 0.356 30.089 29.700 0.055 0.000 0.777 405 E HN 0.795 nan 8.360 nan 0.000 0.460 406 E N 0.905 121.167 120.200 0.104 0.000 1.932 406 E HA -0.049 4.302 4.350 0.001 0.000 0.275 406 E C -0.798 175.873 176.600 0.119 0.000 1.159 406 E CA -0.324 56.130 56.400 0.090 0.000 0.905 406 E CB -0.012 29.702 29.700 0.023 0.000 1.059 406 E HN 0.215 nan 8.360 nan 0.000 0.400 407 W N 7.410 128.708 121.300 -0.003 0.000 1.714 407 W HA 0.106 4.767 4.660 0.002 0.000 0.363 407 W C -0.700 175.828 176.519 0.015 0.000 0.724 407 W CA -0.242 57.107 57.345 0.005 0.000 1.804 407 W CB 0.321 29.786 29.460 0.008 0.000 1.900 407 W HN 0.457 nan 8.180 nan 0.000 0.296 408 T N -1.584 112.924 114.554 -0.075 0.000 2.926 408 T HA 0.203 4.553 4.350 0.001 0.000 0.289 408 T C 1.294 175.914 174.700 -0.134 0.000 1.054 408 T CA -0.485 61.587 62.100 -0.047 0.000 1.015 408 T CB 2.100 70.957 68.868 -0.018 0.000 1.167 408 T HN 0.271 nan 8.240 nan 0.000 0.526 409 E N 1.397 121.561 120.200 -0.060 0.000 2.051 409 E HA -0.167 4.183 4.350 0.001 0.000 0.192 409 E C 2.135 178.629 176.600 -0.176 0.000 0.991 409 E CA 1.757 58.130 56.400 -0.046 0.000 0.799 409 E CB -1.217 28.503 29.700 0.033 0.000 0.748 409 E HN 0.770 nan 8.360 nan 0.000 0.449 410 A N 1.848 124.577 122.820 -0.151 0.000 1.930 410 A HA 0.109 4.429 4.320 0.001 0.000 0.217 410 A C 2.521 179.968 177.584 -0.228 0.000 1.175 410 A CA 2.330 54.252 52.037 -0.192 0.000 0.627 410 A CB -0.720 18.211 19.000 -0.115 0.000 0.815 410 A HN 0.439 nan 8.150 nan 0.000 0.443 411 A N -0.208 122.498 122.820 -0.189 0.000 1.873 411 A HA 0.019 4.339 4.320 0.001 0.000 0.215 411 A C 2.144 179.576 177.584 -0.253 0.000 1.186 411 A CA 1.396 53.324 52.037 -0.182 0.000 0.616 411 A CB -0.596 18.325 19.000 -0.131 0.000 0.823 411 A HN 0.451 nan 8.150 nan 0.000 0.442 412 L N -0.695 120.330 121.223 -0.331 0.000 2.083 412 L HA -0.188 4.152 4.340 0.001 0.000 0.209 412 L C 2.638 179.272 176.870 -0.393 0.000 1.083 412 L CA 1.732 56.357 54.840 -0.358 0.000 0.752 412 L CB -0.462 41.367 42.059 -0.384 0.000 0.899 412 L HN 0.602 nan 8.230 nan 0.000 0.433 413 E N 0.553 120.304 120.200 -0.747 0.000 2.077 413 E HA -0.242 4.108 4.350 0.001 0.000 0.193 413 E C 2.217 178.506 176.600 -0.517 0.000 0.989 413 E CA 1.192 56.848 56.400 -1.241 0.000 0.800 413 E CB 0.028 28.910 29.700 -1.364 0.000 0.746 413 E HN 0.459 nan 8.360 nan 0.000 0.452 414 A N 1.361 123.978 122.820 -0.339 0.000 1.930 414 A HA -0.118 4.202 4.320 0.001 0.000 0.217 414 A C 2.194 179.709 177.584 -0.115 0.000 1.175 414 A CA 0.897 52.823 52.037 -0.185 0.000 0.627 414 A CB -0.611 18.303 19.000 -0.144 0.000 0.815 414 A HN 0.423 nan 8.150 nan 0.000 0.443 415 L N -1.006 120.141 121.223 -0.127 0.000 2.017 415 L HA -0.159 4.182 4.340 0.001 0.000 0.208 415 L C 2.310 179.188 176.870 0.013 0.000 1.073 415 L CA 1.346 56.151 54.840 -0.060 0.000 0.745 415 L CB -0.225 41.772 42.059 -0.104 0.000 0.894 415 L HN 0.331 nan 8.230 nan 0.000 0.432 416 L N -0.163 121.063 121.223 0.005 0.000 2.141 416 L HA -0.184 4.156 4.340 0.001 0.000 0.209 416 L C 2.671 179.627 176.870 0.144 0.000 1.094 416 L CA 1.548 56.457 54.840 0.116 0.000 0.763 416 L CB -0.766 41.409 42.059 0.193 0.000 0.908 416 L HN 0.244 nan 8.230 nan 0.000 0.437 417 R N -0.453 120.077 120.500 0.050 0.000 2.070 417 R HA -0.141 4.200 4.340 0.001 0.000 0.233 417 R C 2.252 178.582 176.300 0.050 0.000 1.137 417 R CA 1.578 57.700 56.100 0.037 0.000 0.945 417 R CB -0.728 29.556 30.300 -0.027 0.000 0.845 417 R HN 0.385 nan 8.270 nan 0.000 0.430 418 G N 0.056 108.884 108.800 0.047 0.000 2.418 418 G HA2 -0.313 3.648 3.960 0.001 0.000 0.217 418 G HA3 -0.313 3.648 3.960 0.001 0.000 0.217 418 G C 1.318 176.265 174.900 0.078 0.000 1.158 418 G CA 0.656 45.784 45.100 0.046 0.000 0.771 418 G HN 0.425 nan 8.290 nan 0.000 0.545 419 F N 2.307 122.253 119.950 -0.007 0.000 2.134 419 F HA 0.032 4.560 4.527 0.001 0.000 0.299 419 F C 2.809 178.615 175.800 0.010 0.000 1.097 419 F CA 1.499 59.502 58.000 0.005 0.000 1.264 419 F CB -0.097 38.910 39.000 0.011 0.000 1.001 419 F HN 0.228 nan 8.300 nan 0.000 0.479 420 A N 0.376 123.253 122.820 0.094 0.000 1.902 420 A HA -0.099 4.221 4.320 0.001 0.000 0.217 420 A C 2.379 179.914 177.584 -0.083 0.000 1.181 420 A CA 1.786 53.826 52.037 0.004 0.000 0.623 420 A CB -1.544 17.507 19.000 0.085 0.000 0.818 420 A HN 0.508 nan 8.150 nan 0.000 0.443 421 A N -0.538 122.250 122.820 -0.053 0.000 1.898 421 A HA -0.165 4.156 4.320 0.001 0.000 0.216 421 A C 2.016 179.539 177.584 -0.101 0.000 1.181 421 A CA 1.742 53.744 52.037 -0.058 0.000 0.620 421 A CB -0.547 18.434 19.000 -0.032 0.000 0.819 421 A HN 0.653 nan 8.150 nan 0.000 0.442 422 E N -0.338 119.776 120.200 -0.144 0.000 2.118 422 E HA -0.202 4.148 4.350 0.001 0.000 0.195 422 E C 1.291 177.751 176.600 -0.232 0.000 0.992 422 E CA 1.224 57.518 56.400 -0.176 0.000 0.804 422 E CB 0.039 29.619 29.700 -0.201 0.000 0.741 422 E HN 0.308 nan 8.360 nan 0.000 0.458 423 K N -0.864 119.329 120.400 -0.345 0.000 2.426 423 K HA 0.070 4.390 4.320 0.001 0.000 0.193 423 K C 0.928 177.432 176.600 -0.158 0.000 1.028 423 K CA 0.773 56.880 56.287 -0.300 0.000 1.047 423 K CB 0.727 32.958 32.500 -0.448 0.000 0.821 423 K HN 0.293 nan 8.250 nan 0.000 0.513 424 G N 1.819 110.545 108.800 -0.123 0.000 2.198 424 G HA2 -0.238 3.723 3.960 0.001 0.000 0.257 424 G HA3 -0.238 3.723 3.960 0.001 0.000 0.257 424 G C 0.141 175.011 174.900 -0.050 0.000 1.042 424 G CA 0.487 45.544 45.100 -0.071 0.000 0.791 424 G HN 0.237 nan 8.290 nan 0.000 0.502 425 V N -4.432 115.452 119.914 -0.050 0.000 3.074 425 V HA 0.874 4.995 4.120 0.001 0.000 0.314 425 V C 0.321 176.416 176.094 0.001 0.000 1.117 425 V CA -1.861 60.429 62.300 -0.017 0.000 1.014 425 V CB 1.643 33.463 31.823 -0.005 0.000 1.057 425 V HN 0.290 nan 8.190 nan 0.000 0.438 426 K N 0.937 121.347 120.400 0.015 0.000 2.202 426 K HA 0.337 4.658 4.320 0.001 0.000 0.264 426 K C 0.717 177.346 176.600 0.048 0.000 1.010 426 K CA -0.402 55.900 56.287 0.025 0.000 0.940 426 K CB 1.162 33.675 32.500 0.022 0.000 0.983 426 K HN 0.679 nan 8.250 nan 0.000 0.475 427 L N 2.871 124.130 121.223 0.059 0.000 2.051 427 L HA -0.182 4.158 4.340 0.001 0.000 0.214 427 L C 1.934 178.856 176.870 0.086 0.000 1.076 427 L CA 2.361 57.256 54.840 0.092 0.000 0.758 427 L CB -0.942 41.180 42.059 0.105 0.000 0.890 427 L HN 0.947 nan 8.230 nan 0.000 0.433 428 G N -1.665 107.169 108.800 0.057 0.000 2.432 428 G HA2 -0.269 3.692 3.960 0.001 0.000 0.219 428 G HA3 -0.269 3.692 3.960 0.001 0.000 0.219 428 G C 1.428 176.347 174.900 0.032 0.000 1.135 428 G CA 0.723 45.844 45.100 0.035 0.000 0.767 428 G HN 0.595 nan 8.290 nan 0.000 0.550 429 Q N -0.407 119.419 119.800 0.044 0.000 2.291 429 Q HA -0.000 4.340 4.340 0.001 0.000 0.205 429 Q C 2.539 178.579 176.000 0.066 0.000 0.970 429 Q CA 0.902 56.733 55.803 0.046 0.000 0.876 429 Q CB 0.051 28.816 28.738 0.045 0.000 0.935 429 Q HN 0.470 nan 8.270 nan 0.000 0.455 430 V N -0.263 119.706 119.914 0.091 0.000 2.795 430 V HA -0.000 4.120 4.120 0.001 0.000 0.243 430 V C 2.043 178.167 176.094 0.051 0.000 1.069 430 V CA 1.207 63.576 62.300 0.116 0.000 1.089 430 V CB -0.337 31.612 31.823 0.210 0.000 0.756 430 V HN 0.287 nan 8.190 nan 0.000 0.471 431 A N -0.376 122.462 122.820 0.030 0.000 1.902 431 A HA -0.255 4.065 4.320 0.001 0.000 0.217 431 A C 2.133 179.672 177.584 -0.074 0.000 1.181 431 A CA 2.014 54.022 52.037 -0.048 0.000 0.623 431 A CB -0.492 18.463 19.000 -0.075 0.000 0.818 431 A HN 0.471 nan 8.150 nan 0.000 0.443 432 Q N -0.071 119.704 119.800 -0.043 0.000 2.030 432 Q HA -0.080 4.261 4.340 0.001 0.000 0.204 432 Q C -0.535 175.440 176.000 -0.042 0.000 0.986 432 Q CA 2.430 58.205 55.803 -0.047 0.000 0.843 432 Q CB -1.265 27.458 28.738 -0.025 0.000 0.904 432 Q HN 0.477 nan 8.270 nan 0.000 0.420 433 P HA -0.149 nan 4.420 nan 0.000 0.215 433 P C 1.158 178.444 177.300 -0.022 0.000 1.153 433 P CA 0.834 63.928 63.100 -0.010 0.000 0.853 433 P CB -0.054 31.654 31.700 0.013 0.000 0.788 434 L N -0.250 120.955 121.223 -0.031 0.000 2.046 434 L HA -0.113 4.228 4.340 0.001 0.000 0.208 434 L C 2.480 179.306 176.870 -0.073 0.000 1.077 434 L CA 1.807 56.623 54.840 -0.040 0.000 0.747 434 L CB -0.926 41.104 42.059 -0.048 0.000 0.896 434 L HN -0.208 nan 8.230 nan 0.000 0.432 435 R N -0.715 119.719 120.500 -0.110 0.000 2.081 435 R HA -0.165 4.176 4.340 0.001 0.000 0.235 435 R C 2.150 178.357 176.300 -0.155 0.000 1.131 435 R CA 1.399 57.404 56.100 -0.158 0.000 0.960 435 R CB -0.367 29.832 30.300 -0.168 0.000 0.856 435 R HN 0.494 nan 8.270 nan 0.000 0.436 436 A N 0.732 123.493 122.820 -0.098 0.000 1.908 436 A HA -0.130 4.191 4.320 0.001 0.000 0.218 436 A C 2.342 179.908 177.584 -0.031 0.000 1.181 436 A CA 1.786 53.783 52.037 -0.067 0.000 0.627 436 A CB -0.743 18.238 19.000 -0.032 0.000 0.818 436 A HN 0.539 nan 8.150 nan 0.000 0.445 437 A N -0.619 122.191 122.820 -0.016 0.000 1.930 437 A HA 0.034 4.355 4.320 0.001 0.000 0.217 437 A C 2.077 179.685 177.584 0.040 0.000 1.175 437 A CA 1.462 53.515 52.037 0.027 0.000 0.627 437 A CB -0.464 18.551 19.000 0.025 0.000 0.815 437 A HN 0.468 nan 8.150 nan 0.000 0.443 438 L N -0.839 120.358 121.223 -0.044 0.000 2.446 438 L HA 0.007 4.347 4.340 0.001 0.000 0.219 438 L C 2.199 178.873 176.870 -0.327 0.000 1.116 438 L CA 1.472 56.256 54.840 -0.093 0.000 0.844 438 L CB 0.072 42.084 42.059 -0.078 0.000 0.970 438 L HN 0.649 nan 8.230 nan 0.000 0.457 439 T N -6.313 107.966 114.554 -0.458 0.000 3.046 439 T HA 0.230 4.581 4.350 0.001 0.000 0.270 439 T C 1.340 175.715 174.700 -0.542 0.000 0.920 439 T CA 0.479 62.004 62.100 -0.958 0.000 0.874 439 T CB 0.902 68.897 68.868 -1.455 0.000 1.214 439 T HN 0.224 nan 8.240 nan 0.000 0.536 440 G N 0.868 109.617 108.800 -0.084 0.000 2.155 440 G HA2 -0.185 3.776 3.960 0.001 0.000 0.257 440 G HA3 -0.185 3.776 3.960 0.001 0.000 0.257 440 G C 0.062 174.962 174.900 -0.001 0.000 0.983 440 G CA 0.549 45.725 45.100 0.127 0.000 0.676 440 G HN 1.216 nan 8.290 nan 0.000 0.528 441 S N -1.770 113.849 115.700 -0.135 0.000 2.588 441 S HA 0.741 5.212 4.470 0.001 0.000 0.275 441 S C 0.736 175.265 174.600 -0.119 0.000 1.130 441 S CA -0.556 57.580 58.200 -0.106 0.000 0.855 441 S CB 1.361 64.493 63.200 -0.112 0.000 1.116 441 S HN 0.437 nan 8.310 nan 0.000 0.472 442 L N 1.250 122.432 121.223 -0.069 0.000 2.664 442 L HA 0.470 4.811 4.340 0.001 0.000 0.233 442 L C 0.480 177.316 176.870 -0.056 0.000 1.113 442 L CA 0.228 55.030 54.840 -0.064 0.000 0.896 442 L CB 0.322 42.359 42.059 -0.036 0.000 1.163 442 L HN 0.631 nan 8.230 nan 0.000 0.497 443 E N 1.367 121.541 120.200 -0.043 0.000 2.255 443 E HA 0.284 4.635 4.350 0.001 0.000 0.245 443 E C -0.560 176.039 176.600 -0.003 0.000 0.909 443 E CA -0.150 56.240 56.400 -0.016 0.000 0.747 443 E CB 0.970 30.675 29.700 0.009 0.000 1.215 443 E HN 0.143 nan 8.360 nan 0.000 0.424 444 T N 0.500 115.044 114.554 -0.017 0.000 2.754 444 T HA 0.613 4.963 4.350 0.001 0.000 0.296 444 T C -2.677 172.034 174.700 0.018 0.000 1.205 444 T CA -1.551 60.565 62.100 0.025 0.000 1.009 444 T CB 1.507 70.348 68.868 -0.045 0.000 1.368 444 T HN 0.102 nan 8.240 nan 0.000 0.509 445 P HA 0.334 nan 4.420 nan 0.000 0.307 445 P C 0.556 177.846 177.300 -0.018 0.000 1.306 445 P CA -0.163 62.952 63.100 0.025 0.000 0.742 445 P CB -0.350 31.380 31.700 0.050 0.000 1.349 446 G N 0.262 109.054 108.800 -0.013 0.000 2.093 446 G HA2 -0.087 3.874 3.960 0.001 0.000 0.257 446 G HA3 -0.087 3.874 3.960 0.001 0.000 0.257 446 G C 0.990 175.822 174.900 -0.114 0.000 1.004 446 G CA -0.165 44.911 45.100 -0.040 0.000 0.949 446 G HN 0.532 nan 8.290 nan 0.000 0.400 447 L N 3.925 124.980 121.223 -0.279 0.000 2.013 447 L HA -0.097 4.244 4.340 0.001 0.000 0.212 447 L C 2.392 179.034 176.870 -0.380 0.000 1.073 447 L CA 1.974 56.566 54.840 -0.414 0.000 0.753 447 L CB -0.561 41.092 42.059 -0.678 0.000 0.890 447 L HN 0.526 nan 8.230 nan 0.000 0.432 448 F N 0.215 120.136 119.950 -0.048 0.000 2.234 448 F HA -0.097 4.430 4.527 0.001 0.000 0.299 448 F C 2.439 178.210 175.800 -0.048 0.000 1.087 448 F CA 1.306 59.262 58.000 -0.074 0.000 1.340 448 F CB -0.876 38.073 39.000 -0.085 0.000 1.031 448 F HN 0.229 nan 8.300 nan 0.000 0.500 449 E N 0.312 120.577 120.200 0.108 0.000 2.107 449 E HA -0.132 4.218 4.350 0.001 0.000 0.191 449 E C 2.280 178.921 176.600 0.069 0.000 0.982 449 E CA 1.156 57.604 56.400 0.080 0.000 0.809 449 E CB -0.243 29.491 29.700 0.057 0.000 0.756 449 E HN 0.417 nan 8.360 nan 0.000 0.459 450 I N 0.964 121.558 120.570 0.039 0.000 2.500 450 I HA -0.195 3.976 4.170 0.001 0.000 0.252 450 I C 2.415 178.589 176.117 0.094 0.000 1.142 450 I CA 0.541 61.874 61.300 0.055 0.000 1.451 450 I CB -0.053 37.958 38.000 0.019 0.000 1.093 450 I HN 0.117 nan 8.210 nan 0.000 0.430 451 L N 0.633 121.903 121.223 0.078 0.000 2.083 451 L HA -0.203 4.137 4.340 0.001 0.000 0.209 451 L C 2.573 179.662 176.870 0.365 0.000 1.083 451 L CA 1.590 56.523 54.840 0.154 0.000 0.752 451 L CB -0.208 41.873 42.059 0.036 0.000 0.899 451 L HN 0.257 nan 8.230 nan 0.000 0.433 452 A N -1.267 121.712 122.820 0.264 0.000 2.095 452 A HA -0.062 4.259 4.320 0.001 0.000 0.212 452 A C 1.941 179.725 177.584 0.333 0.000 1.162 452 A CA 0.283 52.567 52.037 0.413 0.000 0.753 452 A CB -0.281 18.837 19.000 0.198 0.000 0.840 452 A HN 0.330 nan 8.150 nan 0.000 0.468 453 L N 0.126 121.482 121.223 0.222 0.000 2.042 453 L HA -0.120 4.220 4.340 0.001 0.000 0.210 453 L C 1.982 178.993 176.870 0.235 0.000 1.076 453 L CA 1.904 56.858 54.840 0.190 0.000 0.749 453 L CB -0.455 41.674 42.059 0.117 0.000 0.893 453 L HN 0.403 nan 8.230 nan 0.000 0.432 454 L N -0.600 120.750 121.223 0.213 0.000 2.478 454 L HA 0.267 4.607 4.340 0.001 0.000 0.223 454 L C 1.099 178.002 176.870 0.056 0.000 1.140 454 L CA 0.254 55.182 54.840 0.147 0.000 0.842 454 L CB -1.111 41.017 42.059 0.114 0.000 0.953 454 L HN 0.514 nan 8.230 nan 0.000 0.452 455 G N 0.459 109.297 108.800 0.064 0.000 2.690 455 G HA2 -0.235 3.726 3.960 0.001 0.000 0.686 455 G HA3 -0.235 3.726 3.960 0.001 0.000 0.686 455 G C 0.179 174.763 174.900 -0.528 0.000 1.277 455 G CA 0.025 45.040 45.100 -0.142 0.000 0.799 455 G HN 0.093 nan 8.290 nan 0.000 0.613 456 K N 0.024 119.785 120.400 -1.065 0.000 1.991 456 K HA -0.128 4.192 4.320 0.001 0.000 0.212 456 K C 2.310 178.425 176.600 -0.807 0.000 1.049 456 K CA 2.100 57.373 56.287 -1.689 0.000 0.932 456 K CB -0.223 31.466 32.500 -1.352 0.000 0.717 456 K HN 0.512 nan 8.250 nan 0.000 0.441 457 E N 0.751 120.675 120.200 -0.459 0.000 2.049 457 E HA -0.218 4.133 4.350 0.001 0.000 0.198 457 E C 2.175 178.677 176.600 -0.162 0.000 1.007 457 E CA 1.454 57.705 56.400 -0.248 0.000 0.809 457 E CB -0.237 29.364 29.700 -0.165 0.000 0.749 457 E HN 0.364 nan 8.360 nan 0.000 0.450 458 R N 0.277 120.692 120.500 -0.143 0.000 2.115 458 R HA -0.020 4.321 4.340 0.001 0.000 0.230 458 R C 2.318 178.605 176.300 -0.022 0.000 1.111 458 R CA 1.037 57.100 56.100 -0.061 0.000 0.976 458 R CB -0.255 30.018 30.300 -0.045 0.000 0.870 458 R HN 0.126 nan 8.270 nan 0.000 0.445 459 A N 1.281 124.070 122.820 -0.051 0.000 1.873 459 A HA -0.097 4.223 4.320 0.001 0.000 0.215 459 A C 2.149 179.784 177.584 0.085 0.000 1.186 459 A CA 0.981 53.057 52.037 0.066 0.000 0.616 459 A CB -0.492 18.634 19.000 0.209 0.000 0.823 459 A HN 0.159 nan 8.150 nan 0.000 0.442 460 L N -1.373 119.858 121.223 0.013 0.000 2.083 460 L HA -0.194 4.146 4.340 0.001 0.000 0.209 460 L C 2.796 179.747 176.870 0.134 0.000 1.083 460 L CA 1.443 56.352 54.840 0.116 0.000 0.752 460 L CB -0.436 41.646 42.059 0.040 0.000 0.899 460 L HN 0.279 nan 8.230 nan 0.000 0.433 461 R N 0.229 120.766 120.500 0.061 0.000 2.091 461 R HA -0.139 4.201 4.340 0.001 0.000 0.238 461 R C 2.407 178.744 176.300 0.063 0.000 1.136 461 R CA 1.546 57.676 56.100 0.051 0.000 0.959 461 R CB -0.226 30.090 30.300 0.027 0.000 0.856 461 R HN 0.270 nan 8.270 nan 0.000 0.437 462 R N -0.422 120.129 120.500 0.085 0.000 2.090 462 R HA -0.024 4.317 4.340 0.001 0.000 0.228 462 R C 2.286 178.637 176.300 0.085 0.000 1.110 462 R CA 0.966 57.129 56.100 0.105 0.000 0.973 462 R CB -0.386 29.999 30.300 0.141 0.000 0.869 462 R HN 0.245 nan 8.270 nan 0.000 0.440 463 L N 1.217 122.501 121.223 0.101 0.000 2.056 463 L HA -0.181 4.160 4.340 0.001 0.000 0.207 463 L C 1.921 178.793 176.870 0.002 0.000 1.078 463 L CA 1.574 56.469 54.840 0.091 0.000 0.749 463 L CB -0.139 42.038 42.059 0.197 0.000 0.901 463 L HN 0.246 nan 8.230 nan 0.000 0.433 464 E N -0.503 119.688 120.200 -0.016 0.000 2.085 464 E HA -0.307 4.044 4.350 0.001 0.000 0.194 464 E C 2.206 178.754 176.600 -0.087 0.000 0.994 464 E CA 1.287 57.607 56.400 -0.134 0.000 0.801 464 E CB -0.128 29.527 29.700 -0.075 0.000 0.743 464 E HN 0.353 nan 8.360 nan 0.000 0.453 465 R N 0.527 121.009 120.500 -0.031 0.000 2.096 465 R HA -0.098 4.242 4.340 0.001 0.000 0.235 465 R C 2.120 178.402 176.300 -0.029 0.000 1.127 465 R CA 1.235 57.319 56.100 -0.026 0.000 0.968 465 R CB -0.120 30.176 30.300 -0.006 0.000 0.861 465 R HN 0.144 nan 8.270 nan 0.000 0.440 466 A N 0.176 122.987 122.820 -0.016 0.000 2.066 466 A HA 0.008 4.328 4.320 0.001 0.000 0.218 466 A C 1.845 179.409 177.584 -0.033 0.000 1.157 466 A CA 0.718 52.747 52.037 -0.013 0.000 0.670 466 A CB -0.059 18.947 19.000 0.010 0.000 0.804 466 A HN 0.335 nan 8.150 nan 0.000 0.453 467 L N -1.107 120.077 121.223 -0.064 0.000 2.554 467 L HA 0.244 4.585 4.340 0.001 0.000 0.225 467 L C 1.572 178.392 176.870 -0.084 0.000 1.104 467 L CA 0.019 54.807 54.840 -0.086 0.000 0.866 467 L CB -0.228 41.737 42.059 -0.157 0.000 1.047 467 L HN 0.377 nan 8.230 nan 0.000 0.468 468 A N 0.000 122.775 122.820 -0.075 0.000 2.254 468 A HA 0.000 4.321 4.320 0.001 0.000 0.244 468 A CA 0.000 52.000 52.037 -0.062 0.000 0.836 468 A CB 0.000 18.967 19.000 -0.055 0.000 0.831 468 A HN 0.000 nan 8.150 nan 0.000 0.486