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 2nrp_1_B DATA FIRST_RESID 7 DATA SEQUENCE LMSLDTALNE MLSRVTPLTA QETLPLVQCF GRILASDVVS PLDVPGFDNS DATA SEQUENCE AMDGYAVRLA DIASGQPLPV AGKSFAGQPY HGEWPAGTCI RIMTGAPVPE DATA SEQUENCE GCEAVVMQEQ TEQMDNGVRF TAEVRSGQNI RRRGEDISAG AVVFPAGTRL DATA SEQUENCE TTAELPVIAS LGIAEVPVIR KVRVALFSTG DELQLPGQPL GDGQIYDTNR DATA SEQUENCE LAVHLMLEQL GCEVINLGII RDDPHALRAA FIEADSQADV VISSGGVSVG DATA SEQUENCE EADYTKTILE ELGEIAFWKL AIKPGKPFAF GKLSNSWFCG LPGNPVSATL DATA SEQUENCE TFYQLVQPLL AKLSGNTASG LPARQRVRTA SRLKKTPGRL DFQAGVLQRN DATA SEQUENCE ADGELEVTTT GHQGSHIFSS FSLGNCFIVL ERDRGNVEVG EWVEVEPFNA DATA SEQUENCE LFGGL 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.857 176.870 -0.022 0.000 1.165 7 L CA 0.000 54.846 54.840 0.009 0.000 0.813 7 L CB 0.000 42.072 42.059 0.021 0.000 0.961 8 M N 2.045 121.621 119.600 -0.041 0.000 2.180 8 M HA 0.316 4.799 4.480 0.005 0.000 0.358 8 M C 0.441 176.676 176.300 -0.108 0.000 1.233 8 M CA -0.160 55.072 55.300 -0.114 0.000 1.114 8 M CB 1.358 33.827 32.600 -0.219 0.000 1.594 8 M HN 0.244 nan 8.290 nan 0.000 0.467 9 S N 4.800 120.430 115.700 -0.117 0.000 2.580 9 S HA 0.150 4.622 4.470 0.005 0.000 0.274 9 S C 1.120 175.646 174.600 -0.122 0.000 1.329 9 S CA -0.883 57.261 58.200 -0.092 0.000 1.036 9 S CB 1.014 64.166 63.200 -0.080 0.000 0.919 9 S HN 0.961 nan 8.310 nan 0.000 0.515 10 L N 0.928 122.104 121.223 -0.078 0.000 2.051 10 L HA -0.195 4.148 4.340 0.005 0.000 0.214 10 L C 2.359 179.152 176.870 -0.129 0.000 1.076 10 L CA 2.617 57.401 54.840 -0.093 0.000 0.758 10 L CB -0.740 41.316 42.059 -0.004 0.000 0.890 10 L HN 0.979 nan 8.230 nan 0.000 0.433 11 D N -1.052 119.288 120.400 -0.101 0.000 2.097 11 D HA -0.191 4.452 4.640 0.005 0.000 0.195 11 D C 1.923 178.135 176.300 -0.148 0.000 0.989 11 D CA 1.949 55.885 54.000 -0.108 0.000 0.827 11 D CB 0.088 40.840 40.800 -0.079 0.000 0.966 11 D HN 0.184 nan 8.370 nan 0.000 0.456 12 T N -0.279 114.176 114.554 -0.165 0.000 2.699 12 T HA -0.184 4.169 4.350 0.005 0.000 0.268 12 T C 1.888 176.408 174.700 -0.301 0.000 1.036 12 T CA 1.839 63.816 62.100 -0.205 0.000 1.147 12 T CB -0.614 68.126 68.868 -0.214 0.000 0.862 12 T HN 0.318 nan 8.240 nan 0.000 0.446 13 A N 0.955 123.544 122.820 -0.385 0.000 1.873 13 A HA 0.036 4.359 4.320 0.005 0.000 0.215 13 A C 2.324 179.710 177.584 -0.329 0.000 1.186 13 A CA 1.155 52.858 52.037 -0.556 0.000 0.616 13 A CB -0.986 17.721 19.000 -0.488 0.000 0.823 13 A HN 0.464 nan 8.150 nan 0.000 0.442 14 L N -0.239 120.828 121.223 -0.260 0.000 1.997 14 L HA -0.340 4.003 4.340 0.005 0.000 0.216 14 L C 2.394 179.141 176.870 -0.204 0.000 1.074 14 L CA 2.340 57.042 54.840 -0.229 0.000 0.763 14 L CB -0.581 41.365 42.059 -0.189 0.000 0.890 14 L HN 0.572 nan 8.230 nan 0.000 0.434 15 N N -0.886 117.711 118.700 -0.172 0.000 2.058 15 N HA -0.253 4.489 4.740 0.005 0.000 0.191 15 N C 1.680 177.125 175.510 -0.109 0.000 1.037 15 N CA 1.202 54.175 53.050 -0.128 0.000 0.848 15 N CB -0.122 38.303 38.487 -0.104 0.000 1.021 15 N HN 0.236 nan 8.380 nan 0.000 0.422 16 E N 0.839 120.974 120.200 -0.108 0.000 2.086 16 E HA -0.227 4.126 4.350 0.005 0.000 0.200 16 E C 1.858 178.456 176.600 -0.004 0.000 1.012 16 E CA 1.538 57.937 56.400 -0.002 0.000 0.812 16 E CB -0.011 29.732 29.700 0.070 0.000 0.743 16 E HN 0.315 nan 8.360 nan 0.000 0.453 17 M N -0.565 118.932 119.600 -0.171 0.000 2.066 17 M HA -0.187 4.296 4.480 0.005 0.000 0.259 17 M C 2.311 178.418 176.300 -0.321 0.000 1.074 17 M CA 1.533 56.536 55.300 -0.495 0.000 1.114 17 M CB -0.426 31.682 32.600 -0.820 0.000 1.306 17 M HN 0.139 nan 8.290 nan 0.000 0.411 18 L N -0.135 120.936 121.223 -0.253 0.000 2.046 18 L HA -0.197 4.146 4.340 0.005 0.000 0.208 18 L C 2.817 179.630 176.870 -0.096 0.000 1.077 18 L CA 1.520 56.250 54.840 -0.184 0.000 0.747 18 L CB -1.132 40.835 42.059 -0.153 0.000 0.896 18 L HN 0.447 nan 8.230 nan 0.000 0.432 19 S N 0.178 115.843 115.700 -0.057 0.000 2.402 19 S HA -0.211 4.262 4.470 0.005 0.000 0.233 19 S C 2.069 176.701 174.600 0.054 0.000 1.030 19 S CA 0.955 59.155 58.200 0.001 0.000 1.003 19 S CB -0.438 62.770 63.200 0.012 0.000 0.813 19 S HN 0.394 nan 8.310 nan 0.000 0.477 20 R N 0.585 121.131 120.500 0.077 0.000 2.189 20 R HA 0.232 4.575 4.340 0.005 0.000 0.218 20 R C 0.274 176.728 176.300 0.258 0.000 1.074 20 R CA 0.344 56.571 56.100 0.211 0.000 0.991 20 R CB -0.517 29.989 30.300 0.343 0.000 0.883 20 R HN 0.361 nan 8.270 nan 0.000 0.457 21 V N 1.117 121.074 119.914 0.071 0.000 2.617 21 V HA 0.188 4.311 4.120 0.005 0.000 0.298 21 V C 0.211 176.393 176.094 0.148 0.000 1.048 21 V CA -0.148 62.209 62.300 0.096 0.000 0.964 21 V CB 1.972 33.667 31.823 -0.213 0.000 1.004 21 V HN 0.003 nan 8.190 nan 0.000 0.466 22 T N 5.801 120.495 114.554 0.233 0.000 2.864 22 T HA 0.433 4.786 4.350 0.005 0.000 0.299 22 T C -2.620 172.160 174.700 0.134 0.000 1.011 22 T CA -0.966 61.231 62.100 0.161 0.000 0.975 22 T CB 1.549 70.519 68.868 0.170 0.000 0.962 22 T HN 0.450 nan 8.240 nan 0.000 0.448 23 P HA 0.138 nan 4.420 nan 0.000 0.267 23 P C -0.390 176.947 177.300 0.063 0.000 1.200 23 P CA -0.714 62.422 63.100 0.060 0.000 0.772 23 P CB 0.396 32.115 31.700 0.032 0.000 0.855 24 L N 2.512 123.770 121.223 0.058 0.000 2.490 24 L HA 0.048 4.391 4.340 0.005 0.000 0.274 24 L C 1.706 178.597 176.870 0.034 0.000 1.201 24 L CA 1.211 56.080 54.840 0.049 0.000 0.869 24 L CB -0.472 41.613 42.059 0.044 0.000 1.123 24 L HN 0.584 nan 8.230 nan 0.000 0.484 25 T N -0.976 113.596 114.554 0.031 0.000 2.955 25 T HA 0.334 4.687 4.350 0.005 0.000 0.251 25 T C 0.769 175.480 174.700 0.019 0.000 1.002 25 T CA 0.262 62.376 62.100 0.023 0.000 0.970 25 T CB 0.029 68.911 68.868 0.023 0.000 1.091 25 T HN 0.602 nan 8.240 nan 0.000 0.495 26 A N 2.658 125.491 122.820 0.021 0.000 2.598 26 A HA 0.369 4.692 4.320 0.005 0.000 0.239 26 A C 0.362 177.955 177.584 0.016 0.000 1.032 26 A CA 0.006 52.054 52.037 0.017 0.000 0.760 26 A CB -0.244 18.767 19.000 0.018 0.000 0.946 26 A HN 0.768 nan 8.150 nan 0.000 0.512 27 Q N 1.567 121.375 119.800 0.013 0.000 2.445 27 Q HA 0.761 5.104 4.340 0.005 0.000 0.281 27 Q C -0.647 175.360 176.000 0.012 0.000 1.101 27 Q CA -0.954 54.856 55.803 0.012 0.000 0.833 27 Q CB 1.711 30.456 28.738 0.011 0.000 1.416 27 Q HN 0.840 nan 8.270 nan 0.000 0.451 28 E N -0.192 120.015 120.200 0.011 0.000 2.429 28 E HA 0.598 4.951 4.350 0.005 0.000 0.276 28 E C -1.300 175.306 176.600 0.011 0.000 0.953 28 E CA -1.008 55.399 56.400 0.011 0.000 0.787 28 E CB 2.126 31.833 29.700 0.012 0.000 1.307 28 E HN 0.481 nan 8.360 nan 0.000 0.458 29 T N 1.696 116.257 114.554 0.012 0.000 2.812 29 T HA 0.528 4.881 4.350 0.005 0.000 0.282 29 T C -0.409 174.299 174.700 0.013 0.000 0.990 29 T CA -0.602 61.505 62.100 0.012 0.000 0.960 29 T CB 0.473 69.349 68.868 0.013 0.000 0.948 29 T HN 0.318 nan 8.240 nan 0.000 0.438 30 L N 4.151 125.382 121.223 0.014 0.000 2.371 30 L HA 0.604 4.947 4.340 0.005 0.000 0.262 30 L C -2.340 174.540 176.870 0.017 0.000 1.006 30 L CA -2.905 51.944 54.840 0.016 0.000 0.818 30 L CB 2.617 44.686 42.059 0.016 0.000 1.354 30 L HN 0.341 nan 8.230 nan 0.000 0.415 31 P HA 0.115 nan 4.420 nan 0.000 0.271 31 P C 0.894 178.208 177.300 0.024 0.000 1.218 31 P CA -0.335 62.777 63.100 0.021 0.000 0.780 31 P CB 0.991 32.703 31.700 0.020 0.000 0.901 32 L N 2.393 123.631 121.223 0.025 0.000 2.089 32 L HA -0.189 4.154 4.340 0.005 0.000 0.213 32 L C 2.482 179.375 176.870 0.037 0.000 1.079 32 L CA 1.509 56.365 54.840 0.027 0.000 0.758 32 L CB -0.958 41.119 42.059 0.029 0.000 0.891 32 L HN 0.252 nan 8.230 nan 0.000 0.433 33 V N -0.277 119.659 119.914 0.038 0.000 2.809 33 V HA -0.211 3.912 4.120 0.005 0.000 0.256 33 V C 1.866 177.991 176.094 0.052 0.000 1.080 33 V CA 1.423 63.750 62.300 0.045 0.000 1.102 33 V CB -0.223 31.619 31.823 0.031 0.000 0.705 33 V HN 0.538 nan 8.190 nan 0.000 0.475 34 Q N -1.671 118.156 119.800 0.044 0.000 2.253 34 Q HA 0.099 4.442 4.340 0.005 0.000 0.210 34 Q C 1.232 177.265 176.000 0.056 0.000 0.907 34 Q CA 0.106 55.938 55.803 0.048 0.000 0.948 34 Q CB 0.057 28.815 28.738 0.033 0.000 1.033 34 Q HN 0.614 nan 8.270 nan 0.000 0.471 35 C N 0.146 119.484 119.300 0.063 0.000 3.000 35 C HA 0.242 4.705 4.460 0.005 0.000 0.286 35 C C 0.417 175.424 174.990 0.029 0.000 1.343 35 C CA -0.855 58.182 59.018 0.032 0.000 1.742 35 C CB -1.055 26.683 27.740 -0.003 0.000 2.200 35 C HN 0.456 nan 8.230 nan 0.000 0.621 36 F N 1.443 121.379 119.950 -0.025 0.000 2.578 36 F HA 0.428 4.958 4.527 0.005 0.000 0.376 36 F C 1.412 177.195 175.800 -0.028 0.000 1.085 36 F CA 1.947 59.929 58.000 -0.029 0.000 1.260 36 F CB 0.510 39.496 39.000 -0.022 0.000 1.095 36 F HN 0.454 nan 8.300 nan 0.000 0.573 37 G N 3.934 112.394 108.800 -0.567 0.000 2.160 37 G HA2 -0.257 3.706 3.960 0.005 0.000 0.251 37 G HA3 -0.257 3.706 3.960 0.005 0.000 0.251 37 G C 0.144 174.958 174.900 -0.144 0.000 1.008 37 G CA -0.261 44.664 45.100 -0.291 0.000 0.724 37 G HN 0.590 nan 8.290 nan 0.000 0.514 38 R N -0.421 119.991 120.500 -0.147 0.000 2.589 38 R HA 0.573 4.916 4.340 0.005 0.000 0.293 38 R C 0.220 176.467 176.300 -0.089 0.000 0.963 38 R CA -1.064 54.989 56.100 -0.079 0.000 0.905 38 R CB 1.148 31.421 30.300 -0.045 0.000 1.144 38 R HN 0.123 nan 8.270 nan 0.000 0.459 39 I N 3.233 123.769 120.570 -0.057 0.000 2.395 39 I HA 0.209 4.382 4.170 0.005 0.000 0.289 39 I C 0.936 177.030 176.117 -0.038 0.000 1.023 39 I CA -0.820 60.449 61.300 -0.053 0.000 1.350 39 I CB 0.276 38.255 38.000 -0.035 0.000 1.409 39 I HN 0.353 nan 8.210 nan 0.000 0.507 40 L N 5.182 126.382 121.223 -0.039 0.000 2.462 40 L HA 0.108 4.451 4.340 0.005 0.000 0.272 40 L C 1.350 178.219 176.870 -0.001 0.000 1.166 40 L CA -0.056 54.775 54.840 -0.016 0.000 0.880 40 L CB 1.270 43.328 42.059 -0.002 0.000 1.142 40 L HN 0.838 nan 8.230 nan 0.000 0.473 41 A N 2.839 125.662 122.820 0.005 0.000 1.935 41 A HA 0.087 4.410 4.320 0.005 0.000 0.214 41 A C 0.806 178.399 177.584 0.015 0.000 1.178 41 A CA 0.561 52.604 52.037 0.009 0.000 0.640 41 A CB 0.139 19.145 19.000 0.010 0.000 0.825 41 A HN 0.626 nan 8.150 nan 0.000 0.447 42 S N 0.909 116.621 115.700 0.020 0.000 2.557 42 S HA 0.403 4.876 4.470 0.005 0.000 0.291 42 S C -1.584 173.036 174.600 0.034 0.000 1.116 42 S CA -0.905 57.309 58.200 0.023 0.000 0.992 42 S CB 1.369 64.581 63.200 0.020 0.000 1.028 42 S HN 0.322 nan 8.310 nan 0.000 0.484 43 D N 1.948 122.367 120.400 0.031 0.000 2.752 43 D HA -0.003 4.640 4.640 0.005 0.000 0.225 43 D C -0.150 176.176 176.300 0.043 0.000 1.104 43 D CA 0.580 54.603 54.000 0.038 0.000 0.832 43 D CB 0.279 41.091 40.800 0.019 0.000 1.161 43 D HN 0.162 nan 8.370 nan 0.000 0.505 44 V N 4.121 124.077 119.914 0.071 0.000 2.439 44 V HA 0.071 4.194 4.120 0.005 0.000 0.271 44 V C 0.493 176.597 176.094 0.017 0.000 1.040 44 V CA -0.276 62.065 62.300 0.069 0.000 1.002 44 V CB 1.187 33.103 31.823 0.155 0.000 1.000 44 V HN 0.212 nan 8.190 nan 0.000 0.477 45 V N 5.001 124.920 119.914 0.009 0.000 2.398 45 V HA 0.299 4.422 4.120 0.005 0.000 0.286 45 V C 0.476 176.562 176.094 -0.013 0.000 1.026 45 V CA -0.313 61.980 62.300 -0.011 0.000 0.868 45 V CB 2.070 33.889 31.823 -0.007 0.000 0.982 45 V HN 0.883 nan 8.190 nan 0.000 0.443 46 S N 7.704 123.386 115.700 -0.030 0.000 2.430 46 S HA 0.241 4.714 4.470 0.005 0.000 0.282 46 S C -1.033 173.554 174.600 -0.022 0.000 1.186 46 S CA -0.959 57.224 58.200 -0.028 0.000 1.060 46 S CB 0.761 63.933 63.200 -0.047 0.000 0.966 46 S HN 0.682 nan 8.310 nan 0.000 0.501 47 P HA 0.156 nan 4.420 nan 0.000 0.245 47 P C -0.165 177.123 177.300 -0.020 0.000 1.212 47 P CA 0.160 63.253 63.100 -0.012 0.000 0.774 47 P CB -0.266 31.433 31.700 -0.002 0.000 0.999 48 L N -4.395 116.813 121.223 -0.025 0.000 2.502 48 L HA 0.746 5.089 4.340 0.005 0.000 0.253 48 L C -1.264 175.578 176.870 -0.047 0.000 1.070 48 L CA -1.156 53.661 54.840 -0.039 0.000 0.871 48 L CB 0.314 42.354 42.059 -0.031 0.000 1.487 48 L HN -0.461 nan 8.230 nan 0.000 0.408 49 D N 0.724 121.083 120.400 -0.068 0.000 2.198 49 D HA 0.576 5.219 4.640 0.005 0.000 0.245 49 D C -0.874 175.395 176.300 -0.051 0.000 1.079 49 D CA 0.049 54.008 54.000 -0.067 0.000 0.854 49 D CB 2.231 42.976 40.800 -0.092 0.000 1.148 49 D HN 0.454 nan 8.370 nan 0.000 0.456 50 V N 5.317 125.210 119.914 -0.035 0.000 2.350 50 V HA 0.317 4.440 4.120 0.005 0.000 0.285 50 V C -2.085 174.001 176.094 -0.013 0.000 1.014 50 V CA -1.508 60.783 62.300 -0.016 0.000 0.831 50 V CB 1.682 33.500 31.823 -0.008 0.000 1.000 50 V HN 0.412 nan 8.190 nan 0.000 0.433 51 P HA 0.254 nan 4.420 nan 0.000 0.276 51 P C 0.737 178.026 177.300 -0.018 0.000 1.252 51 P CA -0.177 62.929 63.100 0.011 0.000 0.802 51 P CB 1.577 33.297 31.700 0.033 0.000 1.035 52 G N -0.563 108.235 108.800 -0.002 0.000 2.838 52 G HA2 0.181 4.144 3.960 0.005 0.000 0.210 52 G HA3 0.181 4.144 3.960 0.005 0.000 0.210 52 G C -0.280 174.412 174.900 -0.347 0.000 1.153 52 G CA 0.193 45.217 45.100 -0.127 0.000 0.778 52 G HN 0.398 nan 8.290 nan 0.000 0.539 53 F N -0.122 119.841 119.950 0.022 0.000 2.596 53 F HA 0.308 4.838 4.527 0.005 0.000 0.311 53 F C -1.100 174.712 175.800 0.019 0.000 1.116 53 F CA -1.383 56.632 58.000 0.025 0.000 0.957 53 F CB 1.716 40.736 39.000 0.034 0.000 1.250 53 F HN -0.251 nan 8.300 nan 0.000 0.444 54 D N 3.301 123.808 120.400 0.178 0.000 2.570 54 D HA 0.005 4.648 4.640 0.005 0.000 0.243 54 D C -0.141 176.217 176.300 0.097 0.000 1.171 54 D CA 0.677 54.741 54.000 0.107 0.000 0.879 54 D CB 0.177 41.032 40.800 0.091 0.000 1.143 54 D HN 0.564 nan 8.370 nan 0.000 0.511 55 N N 0.161 118.901 118.700 0.066 0.000 2.741 55 N HA 0.380 5.123 4.740 0.005 0.000 0.310 55 N C -0.632 174.887 175.510 0.016 0.000 1.295 55 N CA -0.826 52.248 53.050 0.040 0.000 0.893 55 N CB 1.254 39.766 38.487 0.042 0.000 1.247 55 N HN 0.230 nan 8.380 nan 0.000 0.596 56 S N -1.680 114.015 115.700 -0.008 0.000 2.578 56 S HA 0.533 5.006 4.470 0.005 0.000 0.283 56 S C 0.715 175.305 174.600 -0.017 0.000 1.195 56 S CA -0.275 57.913 58.200 -0.020 0.000 1.050 56 S CB 1.185 64.351 63.200 -0.056 0.000 1.012 56 S HN 0.707 nan 8.310 nan 0.000 0.511 57 A N 4.284 127.097 122.820 -0.011 0.000 1.935 57 A HA 0.396 4.719 4.320 0.005 0.000 0.214 57 A C 0.774 178.346 177.584 -0.019 0.000 1.178 57 A CA 0.588 52.620 52.037 -0.008 0.000 0.640 57 A CB -0.246 18.755 19.000 0.001 0.000 0.825 57 A HN 0.772 nan 8.150 nan 0.000 0.447 58 M N -0.162 119.420 119.600 -0.030 0.000 2.644 58 M HA 0.293 4.775 4.480 0.005 0.000 0.304 58 M C -1.464 174.788 176.300 -0.080 0.000 1.215 58 M CA -0.797 54.480 55.300 -0.040 0.000 0.871 58 M CB 1.918 34.507 32.600 -0.019 0.000 1.740 58 M HN -0.021 nan 8.290 nan 0.000 0.464 59 D N 2.351 122.697 120.400 -0.089 0.000 2.383 59 D HA 0.314 4.957 4.640 0.005 0.000 0.275 59 D C 0.071 176.275 176.300 -0.161 0.000 1.344 59 D CA 0.732 54.645 54.000 -0.144 0.000 0.984 59 D CB 0.175 40.907 40.800 -0.112 0.000 1.104 59 D HN 0.768 nan 8.370 nan 0.000 0.524 60 G N 1.226 109.875 108.800 -0.252 0.000 2.588 60 G HA2 0.376 4.339 3.960 0.005 0.000 0.281 60 G HA3 0.376 4.339 3.960 0.005 0.000 0.281 60 G C -1.831 172.807 174.900 -0.438 0.000 1.223 60 G CA -0.642 44.325 45.100 -0.222 0.000 0.871 60 G HN 0.268 nan 8.290 nan 0.000 0.492 61 Y N 0.769 121.064 120.300 -0.009 0.000 2.329 61 Y HA 0.641 5.194 4.550 0.005 0.000 0.328 61 Y C 0.636 176.544 175.900 0.013 0.000 0.992 61 Y CA -0.497 57.602 58.100 -0.001 0.000 1.151 61 Y CB 2.016 40.548 38.460 0.120 0.000 1.150 61 Y HN 0.753 nan 8.280 nan 0.000 0.450 62 A N 3.550 126.372 122.820 0.004 0.000 2.545 62 A HA 0.472 4.795 4.320 0.005 0.000 0.253 62 A C 0.280 177.945 177.584 0.135 0.000 1.074 62 A CA 0.140 52.164 52.037 -0.022 0.000 0.760 62 A CB -0.534 18.299 19.000 -0.279 0.000 1.005 62 A HN 0.716 nan 8.150 nan 0.000 0.506 63 V N 1.100 121.152 119.914 0.230 0.000 3.271 63 V HA 0.843 4.966 4.120 0.005 0.000 0.305 63 V C 0.127 176.377 176.094 0.260 0.000 1.303 63 V CA -1.175 61.262 62.300 0.229 0.000 1.038 63 V CB 1.153 32.966 31.823 -0.016 0.000 1.197 63 V HN 0.974 nan 8.190 nan 0.000 0.478 64 R N -1.251 119.289 120.500 0.067 0.000 2.906 64 R HA 0.649 4.992 4.340 0.005 0.000 0.258 64 R C -0.443 175.819 176.300 -0.063 0.000 1.156 64 R CA -0.814 55.284 56.100 -0.003 0.000 0.996 64 R CB 1.687 31.935 30.300 -0.086 0.000 1.259 64 R HN 0.586 nan 8.270 nan 0.000 0.462 65 L N 0.370 121.554 121.223 -0.064 0.000 2.906 65 L HA 0.361 4.704 4.340 0.005 0.000 0.255 65 L C 0.945 177.773 176.870 -0.070 0.000 1.166 65 L CA 0.298 55.098 54.840 -0.067 0.000 0.977 65 L CB 1.078 43.111 42.059 -0.044 0.000 1.313 65 L HN 0.687 nan 8.230 nan 0.000 0.549 66 A N -1.319 121.451 122.820 -0.082 0.000 2.508 66 A HA 0.168 4.491 4.320 0.005 0.000 0.257 66 A C 1.028 178.562 177.584 -0.084 0.000 1.226 66 A CA -0.077 51.913 52.037 -0.078 0.000 0.947 66 A CB 0.155 19.107 19.000 -0.079 0.000 1.079 66 A HN 0.115 nan 8.150 nan 0.000 0.531 67 D N -0.202 120.141 120.400 -0.096 0.000 2.431 67 D HA 0.066 4.709 4.640 0.005 0.000 0.235 67 D C 1.639 177.873 176.300 -0.109 0.000 0.980 67 D CA 0.401 54.347 54.000 -0.090 0.000 0.912 67 D CB 0.121 40.873 40.800 -0.081 0.000 1.056 67 D HN 0.262 nan 8.370 nan 0.000 0.494 68 I N 1.956 122.433 120.570 -0.155 0.000 2.614 68 I HA -0.105 4.068 4.170 0.005 0.000 0.258 68 I C 2.371 178.430 176.117 -0.096 0.000 1.189 68 I CA 0.446 61.643 61.300 -0.173 0.000 1.462 68 I CB -1.191 36.673 38.000 -0.227 0.000 1.092 68 I HN -0.150 nan 8.210 nan 0.000 0.442 69 A N 1.000 123.775 122.820 -0.076 0.000 2.076 69 A HA -0.199 4.124 4.320 0.005 0.000 0.220 69 A C 2.514 180.073 177.584 -0.041 0.000 1.160 69 A CA 2.007 54.013 52.037 -0.052 0.000 0.653 69 A CB -0.572 18.400 19.000 -0.048 0.000 0.801 69 A HN 0.564 nan 8.150 nan 0.000 0.455 70 S N -1.257 114.416 115.700 -0.045 0.000 2.425 70 S HA 0.304 4.777 4.470 0.005 0.000 0.225 70 S C 1.475 176.064 174.600 -0.018 0.000 1.024 70 S CA 1.080 59.262 58.200 -0.029 0.000 0.951 70 S CB -0.846 62.337 63.200 -0.027 0.000 0.796 70 S HN 1.971 nan 8.310 nan 0.000 0.498 71 G N 1.248 110.036 108.800 -0.021 0.000 2.350 71 G HA2 -0.259 3.704 3.960 0.005 0.000 0.298 71 G HA3 -0.259 3.704 3.960 0.005 0.000 0.298 71 G C -0.386 174.524 174.900 0.016 0.000 1.037 71 G CA 0.538 45.639 45.100 0.001 0.000 1.074 71 G HN 0.813 nan 8.290 nan 0.000 0.511 72 Q N -0.562 119.251 119.800 0.021 0.000 2.413 72 Q HA 0.607 4.950 4.340 0.005 0.000 0.276 72 Q C -2.616 173.423 176.000 0.065 0.000 1.099 72 Q CA -2.445 53.377 55.803 0.031 0.000 0.814 72 Q CB 2.532 31.279 28.738 0.015 0.000 1.379 72 Q HN 0.124 nan 8.270 nan 0.000 0.436 73 P HA 0.110 nan 4.420 nan 0.000 0.270 73 P C -1.285 176.054 177.300 0.065 0.000 1.242 73 P CA 0.200 63.336 63.100 0.061 0.000 0.768 73 P CB -0.085 31.627 31.700 0.021 0.000 0.820 74 L N 3.899 125.188 121.223 0.111 0.000 2.305 74 L HA 0.734 5.077 4.340 0.005 0.000 0.284 74 L C -2.496 174.418 176.870 0.073 0.000 1.013 74 L CA -2.707 52.194 54.840 0.102 0.000 0.819 74 L CB 1.993 44.128 42.059 0.126 0.000 1.227 74 L HN 0.121 nan 8.230 nan 0.000 0.417 75 P HA 0.158 nan 4.420 nan 0.000 0.279 75 P C -0.615 176.725 177.300 0.067 0.000 1.282 75 P CA -0.429 62.697 63.100 0.043 0.000 0.788 75 P CB 1.369 33.096 31.700 0.044 0.000 1.139 76 V N 0.684 120.631 119.914 0.055 0.000 2.311 76 V HA 0.298 4.421 4.120 0.005 0.000 0.275 76 V C 1.402 177.510 176.094 0.024 0.000 1.022 76 V CA 0.034 62.366 62.300 0.053 0.000 0.830 76 V CB 0.154 32.020 31.823 0.071 0.000 1.012 76 V HN 0.700 nan 8.190 nan 0.000 0.452 77 A N 3.879 126.702 122.820 0.005 0.000 2.132 77 A HA 0.653 4.976 4.320 0.005 0.000 0.213 77 A C 1.079 178.614 177.584 -0.082 0.000 1.154 77 A CA 0.931 52.984 52.037 0.027 0.000 0.753 77 A CB 0.054 19.144 19.000 0.150 0.000 0.826 77 A HN 1.149 nan 8.150 nan 0.000 0.469 78 G N -1.129 107.473 108.800 -0.330 0.000 2.356 78 G HA2 0.479 4.442 3.960 0.005 0.000 0.294 78 G HA3 0.479 4.442 3.960 0.005 0.000 0.294 78 G C -1.765 172.755 174.900 -0.633 0.000 1.423 78 G CA -0.892 43.868 45.100 -0.566 0.000 0.806 78 G HN 0.084 nan 8.290 nan 0.000 0.527 79 K N 0.340 120.467 120.400 -0.454 0.000 2.426 79 K HA 0.618 4.941 4.320 0.005 0.000 0.254 79 K C -0.761 175.721 176.600 -0.197 0.000 0.936 79 K CA -0.640 55.464 56.287 -0.305 0.000 0.801 79 K CB 2.181 34.680 32.500 -0.001 0.000 1.139 79 K HN 0.399 nan 8.250 nan 0.000 0.424 80 S N 3.088 118.582 115.700 -0.342 0.000 2.480 80 S HA 0.599 5.072 4.470 0.005 0.000 0.286 80 S C -0.944 173.465 174.600 -0.318 0.000 1.180 80 S CA -0.499 57.594 58.200 -0.178 0.000 1.075 80 S CB 0.205 63.288 63.200 -0.196 0.000 0.996 80 S HN 0.425 nan 8.310 nan 0.000 0.487 81 F N 1.553 121.464 119.950 -0.064 0.000 2.740 81 F HA 0.644 5.173 4.527 0.005 0.000 0.357 81 F C 1.326 177.103 175.800 -0.039 0.000 1.141 81 F CA -0.457 57.510 58.000 -0.054 0.000 1.044 81 F CB 0.679 39.657 39.000 -0.037 0.000 1.430 81 F HN 0.664 nan 8.300 nan 0.000 0.518 82 A N 0.620 123.580 122.820 0.233 0.000 1.829 82 A HA -0.006 4.317 4.320 0.005 0.000 0.216 82 A C 1.962 179.603 177.584 0.094 0.000 1.207 82 A CA 1.980 54.087 52.037 0.118 0.000 0.622 82 A CB -1.543 17.519 19.000 0.103 0.000 0.846 82 A HN 0.905 nan 8.150 nan 0.000 0.447 83 G N -2.024 106.827 108.800 0.086 0.000 3.141 83 G HA2 0.331 4.294 3.960 0.005 0.000 0.218 83 G HA3 0.331 4.294 3.960 0.005 0.000 0.218 83 G C 0.539 175.476 174.900 0.061 0.000 1.170 83 G CA 0.787 45.921 45.100 0.057 0.000 0.769 83 G HN 0.465 nan 8.290 nan 0.000 0.546 84 Q N 0.914 120.775 119.800 0.102 0.000 2.943 84 Q HA 0.353 4.696 4.340 0.005 0.000 0.327 84 Q C -2.714 173.366 176.000 0.133 0.000 0.937 84 Q CA -2.136 53.736 55.803 0.115 0.000 0.914 84 Q CB 1.342 30.137 28.738 0.094 0.000 1.339 84 Q HN 0.015 nan 8.270 nan 0.000 0.417 85 P HA -0.071 nan 4.420 nan 0.000 0.266 85 P C -1.280 175.896 177.300 -0.207 0.000 1.195 85 P CA 0.179 63.230 63.100 -0.081 0.000 0.768 85 P CB 0.235 31.852 31.700 -0.138 0.000 0.838 86 Y N 2.811 122.884 120.300 -0.378 0.000 2.404 86 Y HA 0.182 4.735 4.550 0.005 0.000 0.344 86 Y C 0.392 175.994 175.900 -0.498 0.000 0.995 86 Y CA -0.009 57.899 58.100 -0.321 0.000 1.201 86 Y CB 0.338 38.660 38.460 -0.229 0.000 1.151 86 Y HN 0.473 nan 8.280 nan 0.000 0.517 87 H N 3.620 122.413 119.070 -0.463 0.000 2.500 87 H HA 0.415 4.974 4.556 0.005 0.000 0.243 87 H C 0.322 175.317 175.328 -0.555 0.000 1.318 87 H CA -0.240 55.588 56.048 -0.367 0.000 1.077 87 H CB 0.383 30.026 29.762 -0.198 0.000 1.748 87 H HN 0.736 nan 8.280 nan 0.000 0.556 88 G N -0.468 107.711 108.800 -1.035 0.000 3.013 88 G HA2 0.147 4.110 3.960 0.005 0.000 0.278 88 G HA3 0.147 4.110 3.960 0.005 0.000 0.278 88 G C 0.425 175.295 174.900 -0.050 0.000 1.353 88 G CA -0.653 44.013 45.100 -0.722 0.000 1.043 88 G HN 0.387 nan 8.290 nan 0.000 0.523 89 E N -1.262 119.035 120.200 0.162 0.000 2.153 89 E HA -0.127 4.226 4.350 0.005 0.000 0.194 89 E C 0.302 177.116 176.600 0.356 0.000 0.988 89 E CA 0.176 56.706 56.400 0.216 0.000 0.811 89 E CB -0.020 29.778 29.700 0.163 0.000 0.746 89 E HN 0.408 nan 8.360 nan 0.000 0.466 90 W N 1.484 122.931 121.300 0.246 0.000 7.006 90 W HA -0.151 4.512 4.660 0.005 0.000 0.427 90 W C -2.290 174.284 176.519 0.093 0.000 1.736 90 W CA -0.119 57.329 57.345 0.172 0.000 1.135 90 W CB -1.615 27.957 29.460 0.186 0.000 2.954 90 W HN 0.115 nan 8.180 nan 0.000 1.512 91 P HA 0.211 nan 4.420 nan 0.000 0.271 91 P C 1.084 178.377 177.300 -0.012 0.000 1.238 91 P CA 1.192 64.351 63.100 0.098 0.000 0.794 91 P CB 0.277 32.040 31.700 0.105 0.000 0.959 92 A N 1.327 124.117 122.820 -0.050 0.000 1.859 92 A HA -0.079 4.244 4.320 0.005 0.000 0.218 92 A C 1.600 179.135 177.584 -0.082 0.000 1.209 92 A CA 2.074 54.050 52.037 -0.102 0.000 0.639 92 A CB -1.769 17.192 19.000 -0.065 0.000 0.835 92 A HN 0.639 nan 8.150 nan 0.000 0.450 93 G N -0.058 108.732 108.800 -0.016 0.000 3.286 93 G HA2 0.483 4.446 3.960 0.005 0.000 0.303 93 G HA3 0.483 4.446 3.960 0.005 0.000 0.303 93 G C -0.040 174.901 174.900 0.069 0.000 0.974 93 G CA 0.560 45.667 45.100 0.011 0.000 1.635 93 G HN 0.931 nan 8.290 nan 0.000 0.535 94 T N -2.336 112.295 114.554 0.128 0.000 2.739 94 T HA 0.634 4.987 4.350 0.005 0.000 0.303 94 T C -0.308 174.606 174.700 0.356 0.000 1.389 94 T CA -0.562 61.671 62.100 0.222 0.000 1.001 94 T CB 1.611 70.645 68.868 0.277 0.000 1.436 94 T HN 1.010 nan 8.240 nan 0.000 0.500 95 C N 0.394 119.873 119.300 0.299 0.000 2.994 95 C HA 0.891 5.354 4.460 0.005 0.000 0.304 95 C C -1.136 173.871 174.990 0.028 0.000 1.273 95 C CA -1.057 58.135 59.018 0.290 0.000 1.537 95 C CB 0.673 28.588 27.740 0.291 0.000 2.001 95 C HN 0.933 nan 8.230 nan 0.000 0.471 96 I N 2.660 123.111 120.570 -0.199 0.000 2.382 96 I HA 0.371 4.544 4.170 0.005 0.000 0.285 96 I C 0.436 176.382 176.117 -0.285 0.000 1.007 96 I CA -0.138 60.879 61.300 -0.472 0.000 1.142 96 I CB 1.043 38.448 38.000 -0.992 0.000 1.289 96 I HN 0.913 nan 8.210 nan 0.000 0.453 97 R N 6.030 126.372 120.500 -0.264 0.000 2.486 97 R HA 0.188 4.531 4.340 0.005 0.000 0.303 97 R C -1.007 174.976 176.300 -0.528 0.000 0.958 97 R CA 0.782 56.596 56.100 -0.478 0.000 1.077 97 R CB 0.092 30.151 30.300 -0.402 0.000 0.921 97 R HN 0.687 nan 8.270 nan 0.000 0.406 98 I N 4.774 125.023 120.570 -0.534 0.000 2.582 98 I HA 0.324 4.497 4.170 0.005 0.000 0.292 98 I C -1.007 174.849 176.117 -0.435 0.000 1.066 98 I CA -1.271 59.760 61.300 -0.447 0.000 1.053 98 I CB 1.793 39.611 38.000 -0.304 0.000 1.241 98 I HN 0.685 nan 8.210 nan 0.000 0.421 99 M N 4.115 123.459 119.600 -0.426 0.000 2.494 99 M HA 0.372 4.855 4.480 0.005 0.000 0.300 99 M C 0.065 176.262 176.300 -0.172 0.000 1.189 99 M CA -0.031 55.081 55.300 -0.313 0.000 0.982 99 M CB 1.545 33.954 32.600 -0.319 0.000 1.534 99 M HN 0.484 nan 8.290 nan 0.000 0.488 100 T N 2.264 116.752 114.554 -0.111 0.000 2.759 100 T HA 0.402 4.755 4.350 0.005 0.000 0.273 100 T C 0.687 175.366 174.700 -0.036 0.000 0.938 100 T CA 1.419 63.482 62.100 -0.062 0.000 1.197 100 T CB -0.943 67.901 68.868 -0.039 0.000 0.887 100 T HN 0.908 nan 8.240 nan 0.000 0.540 101 G N 2.144 110.924 108.800 -0.033 0.000 2.205 101 G HA2 0.077 4.040 3.960 0.005 0.000 0.180 101 G HA3 0.077 4.040 3.960 0.005 0.000 0.180 101 G C 0.107 175.005 174.900 -0.003 0.000 1.004 101 G CA -0.275 44.821 45.100 -0.007 0.000 0.670 101 G HN 1.027 nan 8.290 nan 0.000 0.496 102 A N 0.314 123.115 122.820 -0.032 0.000 2.306 102 A HA 0.849 5.172 4.320 0.005 0.000 0.330 102 A C -2.480 175.085 177.584 -0.031 0.000 1.146 102 A CA -1.628 50.388 52.037 -0.034 0.000 0.827 102 A CB 0.809 19.758 19.000 -0.085 0.000 1.178 102 A HN 0.023 nan 8.150 nan 0.000 0.490 103 P HA 0.072 nan 4.420 nan 0.000 0.256 103 P C -0.223 177.048 177.300 -0.047 0.000 1.189 103 P CA 0.219 63.308 63.100 -0.019 0.000 0.808 103 P CB 0.016 31.677 31.700 -0.066 0.000 0.793 104 V N 7.482 127.389 119.914 -0.012 0.000 2.644 104 V HA -0.089 4.034 4.120 0.005 0.000 0.303 104 V C -1.307 174.789 176.094 0.004 0.000 1.058 104 V CA -0.136 62.161 62.300 -0.005 0.000 1.228 104 V CB -0.650 31.203 31.823 0.049 0.000 0.861 104 V HN 0.574 nan 8.190 nan 0.000 0.484 105 P HA 0.323 nan 4.420 nan 0.000 0.282 105 P C -0.397 177.043 177.300 0.234 0.000 1.259 105 P CA -0.853 62.264 63.100 0.029 0.000 0.826 105 P CB 0.650 32.312 31.700 -0.063 0.000 1.064 106 E N 0.438 120.786 120.200 0.246 0.000 2.653 106 E HA 0.234 4.587 4.350 0.005 0.000 0.264 106 E C 1.424 178.229 176.600 0.342 0.000 0.949 106 E CA 2.210 58.763 56.400 0.254 0.000 0.953 106 E CB -0.742 29.075 29.700 0.194 0.000 0.925 106 E HN 0.781 nan 8.360 nan 0.000 0.475 107 G N 2.296 111.215 108.800 0.198 0.000 2.143 107 G HA2 -0.322 3.641 3.960 0.005 0.000 0.248 107 G HA3 -0.322 3.641 3.960 0.005 0.000 0.248 107 G C 0.380 175.351 174.900 0.117 0.000 0.991 107 G CA 0.024 45.176 45.100 0.087 0.000 0.689 107 G HN 0.764 nan 8.290 nan 0.000 0.522 108 C N -0.133 119.348 119.300 0.301 0.000 2.466 108 C HA 0.768 5.231 4.460 0.005 0.000 0.379 108 C C 1.500 176.598 174.990 0.180 0.000 1.251 108 C CA 0.404 59.646 59.018 0.373 0.000 2.263 108 C CB 0.881 28.844 27.740 0.372 0.000 2.511 108 C HN 0.548 nan 8.230 nan 0.000 0.573 109 E N 2.509 122.802 120.200 0.154 0.000 2.391 109 E HA 0.384 4.737 4.350 0.005 0.000 0.206 109 E C 0.298 176.938 176.600 0.068 0.000 0.851 109 E CA 0.362 56.810 56.400 0.080 0.000 1.059 109 E CB 0.716 30.441 29.700 0.041 0.000 1.065 109 E HN 0.821 nan 8.360 nan 0.000 0.512 110 A N 0.731 123.601 122.820 0.083 0.000 2.610 110 A HA 0.588 4.910 4.320 0.005 0.000 0.291 110 A C -1.523 176.107 177.584 0.077 0.000 1.086 110 A CA -0.649 51.427 52.037 0.064 0.000 0.677 110 A CB 1.583 20.608 19.000 0.042 0.000 1.278 110 A HN -0.034 nan 8.150 nan 0.000 0.414 111 V N 0.675 120.629 119.914 0.067 0.000 2.487 111 V HA 0.606 4.728 4.120 0.005 0.000 0.298 111 V C -0.125 176.032 176.094 0.105 0.000 1.028 111 V CA -0.655 61.691 62.300 0.076 0.000 0.860 111 V CB 1.134 32.974 31.823 0.029 0.000 0.991 111 V HN 0.772 nan 8.190 nan 0.000 0.427 112 V N 4.527 124.552 119.914 0.186 0.000 2.973 112 V HA 0.523 4.646 4.120 0.005 0.000 0.314 112 V C 0.342 176.538 176.094 0.170 0.000 1.066 112 V CA -0.752 61.679 62.300 0.219 0.000 1.021 112 V CB 1.734 33.803 31.823 0.409 0.000 1.076 112 V HN 0.834 nan 8.190 nan 0.000 0.462 113 M N 1.880 121.554 119.600 0.123 0.000 2.197 113 M HA 0.269 4.752 4.480 0.005 0.000 0.305 113 M C 1.054 177.415 176.300 0.101 0.000 1.162 113 M CA -0.154 55.193 55.300 0.078 0.000 1.099 113 M CB 0.454 33.081 32.600 0.044 0.000 1.430 113 M HN 0.792 nan 8.290 nan 0.000 0.481 114 Q N -0.107 119.736 119.800 0.072 0.000 2.403 114 Q HA 0.041 4.384 4.340 0.005 0.000 0.203 114 Q C 0.392 176.397 176.000 0.009 0.000 0.932 114 Q CA 0.526 56.368 55.803 0.065 0.000 0.945 114 Q CB 0.130 28.927 28.738 0.097 0.000 1.045 114 Q HN 0.632 nan 8.270 nan 0.000 0.511 115 E N 1.396 121.603 120.200 0.012 0.000 2.427 115 E HA -0.072 4.281 4.350 0.005 0.000 0.196 115 E C 0.197 176.798 176.600 0.002 0.000 1.028 115 E CA 0.630 57.033 56.400 0.004 0.000 0.864 115 E CB 0.338 30.044 29.700 0.010 0.000 0.813 115 E HN 0.648 nan 8.360 nan 0.000 0.514 116 Q N -0.207 119.596 119.800 0.005 0.000 2.182 116 Q HA 0.258 4.601 4.340 0.005 0.000 0.305 116 Q C -0.567 175.395 176.000 -0.063 0.000 0.880 116 Q CA -0.074 55.734 55.803 0.008 0.000 1.131 116 Q CB 1.455 30.231 28.738 0.064 0.000 1.237 116 Q HN -0.184 nan 8.270 nan 0.000 0.447 117 T N 0.356 114.827 114.554 -0.138 0.000 3.087 117 T HA 0.266 4.619 4.350 0.005 0.000 0.351 117 T C -1.933 172.622 174.700 -0.241 0.000 1.520 117 T CA -0.573 61.328 62.100 -0.332 0.000 1.111 117 T CB 2.253 70.807 68.868 -0.523 0.000 1.353 117 T HN 0.267 nan 8.240 nan 0.000 0.481 118 E N 1.607 121.637 120.200 -0.283 0.000 2.340 118 E HA 0.431 4.784 4.350 0.005 0.000 0.273 118 E C -1.310 175.168 176.600 -0.204 0.000 0.891 118 E CA -0.650 55.641 56.400 -0.181 0.000 0.757 118 E CB 1.690 31.322 29.700 -0.114 0.000 1.231 118 E HN 0.511 nan 8.360 nan 0.000 0.439 119 Q N 2.984 122.703 119.800 -0.134 0.000 2.322 119 Q HA 0.307 4.650 4.340 0.005 0.000 0.256 119 Q C -0.221 175.735 176.000 -0.072 0.000 0.960 119 Q CA -0.164 55.572 55.803 -0.111 0.000 0.934 119 Q CB 1.075 29.777 28.738 -0.061 0.000 1.200 119 Q HN 0.301 nan 8.270 nan 0.000 0.435 120 M N 1.062 120.621 119.600 -0.069 0.000 2.649 120 M HA 0.183 4.666 4.480 0.005 0.000 0.294 120 M C 0.723 177.007 176.300 -0.027 0.000 1.206 120 M CA -0.657 54.619 55.300 -0.041 0.000 0.928 120 M CB 0.453 33.032 32.600 -0.036 0.000 1.571 120 M HN 0.574 nan 8.290 nan 0.000 0.501 121 D N 1.150 121.541 120.400 -0.016 0.000 2.149 121 D HA -0.262 4.381 4.640 0.005 0.000 0.194 121 D C 0.775 177.072 176.300 -0.005 0.000 1.001 121 D CA 2.054 56.049 54.000 -0.008 0.000 0.849 121 D CB -0.475 40.322 40.800 -0.004 0.000 0.939 121 D HN 0.707 nan 8.370 nan 0.000 0.449 122 N N -0.429 118.268 118.700 -0.005 0.000 2.236 122 N HA 0.278 5.021 4.740 0.005 0.000 0.196 122 N C 0.582 176.093 175.510 0.002 0.000 1.114 122 N CA 0.272 53.323 53.050 0.002 0.000 0.859 122 N CB 1.143 39.633 38.487 0.005 0.000 0.982 122 N HN 0.408 nan 8.380 nan 0.000 0.493 123 G N -1.116 107.676 108.800 -0.013 0.000 2.359 123 G HA2 0.103 4.066 3.960 0.005 0.000 0.314 123 G HA3 0.103 4.066 3.960 0.005 0.000 0.314 123 G C -1.708 173.150 174.900 -0.070 0.000 1.364 123 G CA -0.686 44.400 45.100 -0.023 0.000 0.978 123 G HN 0.055 nan 8.290 nan 0.000 0.615 124 V N 2.047 121.884 119.914 -0.129 0.000 2.446 124 V HA 0.442 4.565 4.120 0.005 0.000 0.276 124 V C 0.987 176.940 176.094 -0.234 0.000 1.030 124 V CA 0.008 62.112 62.300 -0.327 0.000 1.033 124 V CB 0.813 32.236 31.823 -0.667 0.000 0.993 124 V HN 0.865 nan 8.190 nan 0.000 0.477 125 R N 5.117 125.449 120.500 -0.280 0.000 2.604 125 R HA 0.481 4.824 4.340 0.005 0.000 0.287 125 R C -1.804 174.353 176.300 -0.240 0.000 0.970 125 R CA -0.558 55.501 56.100 -0.068 0.000 0.946 125 R CB 1.442 31.728 30.300 -0.024 0.000 1.127 125 R HN 0.401 nan 8.270 nan 0.000 0.473 126 F N 1.342 121.255 119.950 -0.062 0.000 2.426 126 F HA 0.322 4.852 4.527 0.005 0.000 0.348 126 F C 0.621 176.406 175.800 -0.025 0.000 1.124 126 F CA -0.594 57.379 58.000 -0.046 0.000 1.008 126 F CB 2.466 41.444 39.000 -0.038 0.000 1.139 126 F HN 0.438 nan 8.300 nan 0.000 0.452 127 T N 2.221 116.827 114.554 0.086 0.000 3.260 127 T HA 0.684 5.037 4.350 0.005 0.000 0.254 127 T C 0.138 174.877 174.700 0.064 0.000 0.951 127 T CA -0.134 61.999 62.100 0.054 0.000 0.918 127 T CB -0.354 68.519 68.868 0.008 0.000 1.098 127 T HN 0.669 nan 8.240 nan 0.000 0.563 128 A N 0.488 123.369 122.820 0.100 0.000 2.540 128 A HA 0.661 4.984 4.320 0.005 0.000 0.291 128 A C -1.238 176.394 177.584 0.080 0.000 1.083 128 A CA -0.996 51.088 52.037 0.078 0.000 0.650 128 A CB 0.906 19.950 19.000 0.073 0.000 1.292 128 A HN 0.272 nan 8.150 nan 0.000 0.435 129 E N -0.623 119.608 120.200 0.052 0.000 2.374 129 E HA 0.534 4.887 4.350 0.005 0.000 0.260 129 E C -1.212 175.410 176.600 0.037 0.000 1.101 129 E CA -0.083 56.337 56.400 0.034 0.000 0.907 129 E CB 1.018 30.732 29.700 0.022 0.000 1.014 129 E HN 0.490 nan 8.360 nan 0.000 0.427 130 V N 3.668 123.590 119.914 0.013 0.000 2.509 130 V HA 0.352 4.475 4.120 0.005 0.000 0.289 130 V C -0.710 175.382 176.094 -0.004 0.000 1.026 130 V CA -0.698 61.606 62.300 0.006 0.000 0.872 130 V CB 1.422 33.222 31.823 -0.039 0.000 1.017 130 V HN 0.575 nan 8.190 nan 0.000 0.436 131 R N 2.269 122.775 120.500 0.009 0.000 2.711 131 R HA 0.614 4.957 4.340 0.005 0.000 0.284 131 R C 0.208 176.516 176.300 0.012 0.000 0.968 131 R CA -0.314 55.790 56.100 0.007 0.000 0.924 131 R CB 1.872 32.176 30.300 0.008 0.000 1.162 131 R HN 0.701 nan 8.270 nan 0.000 0.465 132 S N 1.811 117.516 115.700 0.009 0.000 2.589 132 S HA 0.308 4.781 4.470 0.005 0.000 0.306 132 S C 0.933 175.544 174.600 0.018 0.000 1.221 132 S CA 1.501 59.710 58.200 0.015 0.000 1.159 132 S CB -0.590 62.615 63.200 0.010 0.000 0.990 132 S HN 0.851 nan 8.310 nan 0.000 0.514 133 G N 3.534 112.348 108.800 0.024 0.000 2.428 133 G HA2 -0.218 3.745 3.960 0.005 0.000 0.199 133 G HA3 -0.218 3.745 3.960 0.005 0.000 0.199 133 G C 0.099 175.013 174.900 0.024 0.000 1.005 133 G CA -0.016 45.098 45.100 0.023 0.000 0.671 133 G HN 0.879 nan 8.290 nan 0.000 0.485 134 Q N 1.148 120.963 119.800 0.025 0.000 2.687 134 Q HA 0.095 4.438 4.340 0.005 0.000 0.341 134 Q C 1.070 177.088 176.000 0.030 0.000 1.074 134 Q CA 1.317 57.137 55.803 0.028 0.000 1.115 134 Q CB -0.167 28.591 28.738 0.032 0.000 0.996 134 Q HN 0.475 nan 8.270 nan 0.000 0.397 135 N N 2.006 120.720 118.700 0.024 0.000 2.857 135 N HA -0.235 4.508 4.740 0.005 0.000 0.242 135 N C -0.863 174.657 175.510 0.017 0.000 0.983 135 N CA 1.484 54.545 53.050 0.019 0.000 0.934 135 N CB -1.216 37.284 38.487 0.021 0.000 1.115 135 N HN 0.620 nan 8.380 nan 0.000 0.593 136 I N 1.565 122.149 120.570 0.024 0.000 2.347 136 I HA 0.054 4.227 4.170 0.005 0.000 0.294 136 I C 0.602 176.732 176.117 0.023 0.000 1.090 136 I CA -0.234 61.081 61.300 0.026 0.000 1.314 136 I CB 0.373 38.395 38.000 0.036 0.000 1.423 136 I HN -0.120 nan 8.210 nan 0.000 0.503 137 R N 6.629 127.141 120.500 0.021 0.000 2.404 137 R HA 0.143 4.486 4.340 0.005 0.000 0.315 137 R C 0.090 176.403 176.300 0.022 0.000 1.032 137 R CA -0.479 55.632 56.100 0.019 0.000 0.992 137 R CB 0.254 30.565 30.300 0.018 0.000 0.959 137 R HN 0.468 nan 8.270 nan 0.000 0.428 138 R N 2.578 123.088 120.500 0.016 0.000 2.678 138 R HA -0.103 4.240 4.340 0.005 0.000 0.264 138 R C 0.439 176.744 176.300 0.007 0.000 0.995 138 R CA 0.340 56.447 56.100 0.012 0.000 1.098 138 R CB 0.132 30.435 30.300 0.004 0.000 0.949 138 R HN 0.620 nan 8.270 nan 0.000 0.422 139 R N 0.235 120.735 120.500 0.000 0.000 2.347 139 R HA 0.215 4.558 4.340 0.005 0.000 0.304 139 R C 0.556 176.835 176.300 -0.035 0.000 1.072 139 R CA 0.744 56.831 56.100 -0.022 0.000 0.980 139 R CB 0.494 30.761 30.300 -0.054 0.000 0.986 139 R HN 0.816 nan 8.270 nan 0.000 0.448 140 G N 3.133 111.912 108.800 -0.035 0.000 2.153 140 G HA2 -0.373 3.590 3.960 0.005 0.000 0.252 140 G HA3 -0.373 3.590 3.960 0.005 0.000 0.252 140 G C 0.519 175.402 174.900 -0.028 0.000 0.994 140 G CA 0.672 45.750 45.100 -0.037 0.000 0.698 140 G HN 0.899 nan 8.290 nan 0.000 0.521 141 E N -0.366 119.823 120.200 -0.019 0.000 2.158 141 E HA -0.014 4.339 4.350 0.005 0.000 0.191 141 E C 1.517 178.106 176.600 -0.018 0.000 0.982 141 E CA 1.151 57.541 56.400 -0.016 0.000 0.823 141 E CB -0.125 29.571 29.700 -0.008 0.000 0.766 141 E HN 0.374 nan 8.360 nan 0.000 0.468 142 D N 1.194 121.584 120.400 -0.018 0.000 2.091 142 D HA 0.075 4.718 4.640 0.005 0.000 0.199 142 D C 0.545 176.824 176.300 -0.036 0.000 0.980 142 D CA 1.021 55.008 54.000 -0.021 0.000 0.831 142 D CB 0.245 41.037 40.800 -0.014 0.000 0.987 142 D HN 0.208 nan 8.370 nan 0.000 0.460 143 I N 0.513 121.060 120.570 -0.038 0.000 2.466 143 I HA 0.176 4.349 4.170 0.005 0.000 0.289 143 I C -0.503 175.586 176.117 -0.047 0.000 1.026 143 I CA -0.771 60.499 61.300 -0.051 0.000 1.078 143 I CB 2.080 40.046 38.000 -0.056 0.000 1.249 143 I HN -0.139 nan 8.210 nan 0.000 0.429 144 S N 4.502 120.173 115.700 -0.049 0.000 2.565 144 S HA 0.710 5.183 4.470 0.005 0.000 0.274 144 S C 0.192 174.764 174.600 -0.047 0.000 1.309 144 S CA -0.881 57.291 58.200 -0.045 0.000 1.043 144 S CB 1.683 64.859 63.200 -0.041 0.000 0.939 144 S HN 0.691 nan 8.310 nan 0.000 0.504 145 A N 1.680 124.473 122.820 -0.046 0.000 2.445 145 A HA 0.580 4.903 4.320 0.005 0.000 0.242 145 A C 1.512 179.074 177.584 -0.036 0.000 1.075 145 A CA -0.068 51.944 52.037 -0.042 0.000 0.777 145 A CB -1.140 17.833 19.000 -0.045 0.000 1.013 145 A HN 2.362 nan 8.150 nan 0.000 0.493 146 G N -0.213 108.568 108.800 -0.032 0.000 2.166 146 G HA2 0.129 4.092 3.960 0.005 0.000 0.260 146 G HA3 0.129 4.092 3.960 0.005 0.000 0.260 146 G C 0.507 175.388 174.900 -0.032 0.000 0.986 146 G CA 0.747 45.831 45.100 -0.027 0.000 0.683 146 G HN 2.115 nan 8.290 nan 0.000 0.527 147 A N -0.662 122.133 122.820 -0.042 0.000 2.293 147 A HA 0.771 5.094 4.320 0.005 0.000 0.302 147 A C 0.500 178.046 177.584 -0.064 0.000 1.119 147 A CA -0.134 51.872 52.037 -0.052 0.000 0.823 147 A CB 1.482 20.445 19.000 -0.061 0.000 1.097 147 A HN 1.053 nan 8.150 nan 0.000 0.491 148 V N 3.077 122.952 119.914 -0.065 0.000 2.470 148 V HA 0.084 4.207 4.120 0.005 0.000 0.276 148 V C 1.112 177.117 176.094 -0.149 0.000 1.040 148 V CA 0.239 62.493 62.300 -0.077 0.000 1.008 148 V CB 0.852 32.644 31.823 -0.052 0.000 0.990 148 V HN 0.726 nan 8.190 nan 0.000 0.477 149 V N 5.166 124.952 119.914 -0.213 0.000 2.436 149 V HA 0.204 4.327 4.120 0.005 0.000 0.240 149 V C 0.301 175.929 176.094 -0.777 0.000 1.040 149 V CA 0.946 62.945 62.300 -0.502 0.000 1.052 149 V CB -0.158 31.347 31.823 -0.530 0.000 0.707 149 V HN 0.654 nan 8.190 nan 0.000 0.469 150 F N 1.800 121.744 119.950 -0.011 0.000 2.499 150 F HA 0.525 5.055 4.527 0.005 0.000 0.333 150 F C -2.509 173.282 175.800 -0.015 0.000 1.138 150 F CA -2.574 55.417 58.000 -0.014 0.000 0.945 150 F CB 1.640 40.629 39.000 -0.018 0.000 1.181 150 F HN -0.041 nan 8.300 nan 0.000 0.435 151 P HA 0.001 nan 4.420 nan 0.000 0.266 151 P C -0.370 176.977 177.300 0.078 0.000 1.195 151 P CA -0.107 63.044 63.100 0.084 0.000 0.768 151 P CB 0.658 32.395 31.700 0.060 0.000 0.838 152 A N 2.506 125.355 122.820 0.048 0.000 2.566 152 A HA 0.356 4.679 4.320 0.005 0.000 0.245 152 A C 1.539 179.135 177.584 0.020 0.000 1.056 152 A CA 0.966 53.021 52.037 0.030 0.000 0.757 152 A CB -1.494 17.520 19.000 0.022 0.000 0.979 152 A HN 0.905 nan 8.150 nan 0.000 0.508 153 G N 1.996 110.800 108.800 0.007 0.000 2.213 153 G HA2 -0.184 3.779 3.960 0.005 0.000 0.226 153 G HA3 -0.184 3.779 3.960 0.005 0.000 0.226 153 G C 0.453 175.343 174.900 -0.017 0.000 0.992 153 G CA 0.244 45.341 45.100 -0.005 0.000 0.632 153 G HN 1.180 nan 8.290 nan 0.000 0.511 154 T N 1.353 115.900 114.554 -0.012 0.000 2.916 154 T HA 0.397 4.750 4.350 0.005 0.000 0.303 154 T C 0.605 175.247 174.700 -0.098 0.000 1.025 154 T CA 0.196 62.270 62.100 -0.043 0.000 1.142 154 T CB 1.233 70.083 68.868 -0.030 0.000 0.947 154 T HN 0.499 nan 8.240 nan 0.000 0.544 155 R N 3.516 123.940 120.500 -0.126 0.000 2.216 155 R HA 0.332 4.675 4.340 0.005 0.000 0.332 155 R C -0.325 175.816 176.300 -0.265 0.000 1.056 155 R CA -0.527 55.469 56.100 -0.173 0.000 0.901 155 R CB 0.090 30.295 30.300 -0.159 0.000 1.039 155 R HN 0.580 nan 8.270 nan 0.000 0.456 156 L N 3.310 124.357 121.223 -0.293 0.000 2.439 156 L HA 0.307 4.650 4.340 0.005 0.000 0.269 156 L C 0.674 177.222 176.870 -0.536 0.000 1.179 156 L CA 0.244 54.869 54.840 -0.359 0.000 0.828 156 L CB 1.393 43.295 42.059 -0.261 0.000 1.106 156 L HN 0.747 nan 8.230 nan 0.000 0.467 157 T N -0.884 113.381 114.554 -0.481 0.000 2.665 157 T HA 0.153 4.506 4.350 0.005 0.000 0.303 157 T C 0.683 175.309 174.700 -0.124 0.000 1.334 157 T CA -0.326 61.449 62.100 -0.543 0.000 1.011 157 T CB 1.517 70.150 68.868 -0.391 0.000 1.573 157 T HN 0.630 nan 8.240 nan 0.000 0.492 158 T N 1.148 115.785 114.554 0.138 0.000 3.072 158 T HA 0.138 4.491 4.350 0.005 0.000 0.266 158 T C 1.912 176.640 174.700 0.047 0.000 1.127 158 T CA 0.988 63.177 62.100 0.149 0.000 1.107 158 T CB -0.281 68.702 68.868 0.192 0.000 0.910 158 T HN 0.589 nan 8.240 nan 0.000 0.513 159 A N 1.869 124.686 122.820 -0.005 0.000 1.872 159 A HA -0.034 4.289 4.320 0.005 0.000 0.214 159 A C 2.218 179.766 177.584 -0.060 0.000 1.187 159 A CA 1.196 53.224 52.037 -0.014 0.000 0.614 159 A CB -0.259 18.729 19.000 -0.020 0.000 0.826 159 A HN 0.390 nan 8.150 nan 0.000 0.442 160 E N -0.083 119.972 120.200 -0.240 0.000 2.102 160 E HA 0.114 4.466 4.350 0.005 0.000 0.190 160 E C 1.898 178.371 176.600 -0.211 0.000 0.971 160 E CA 0.436 56.526 56.400 -0.518 0.000 0.821 160 E CB -0.337 28.722 29.700 -1.068 0.000 0.777 160 E HN 0.516 nan 8.360 nan 0.000 0.460 161 L N 0.911 122.051 121.223 -0.139 0.000 2.042 161 L HA -0.133 4.210 4.340 0.005 0.000 0.210 161 L C -0.717 176.169 176.870 0.026 0.000 1.076 161 L CA 1.379 56.193 54.840 -0.043 0.000 0.749 161 L CB -1.117 40.935 42.059 -0.013 0.000 0.893 161 L HN 0.179 nan 8.230 nan 0.000 0.432 162 P HA -0.087 nan 4.420 nan 0.000 0.221 162 P C 1.813 179.160 177.300 0.080 0.000 1.150 162 P CA 0.869 64.004 63.100 0.058 0.000 0.800 162 P CB 0.115 31.848 31.700 0.055 0.000 0.787 163 V N -0.366 119.619 119.914 0.119 0.000 2.379 163 V HA -0.197 3.926 4.120 0.005 0.000 0.245 163 V C 2.330 178.521 176.094 0.161 0.000 1.044 163 V CA 1.454 63.850 62.300 0.160 0.000 1.036 163 V CB -0.978 31.017 31.823 0.287 0.000 0.664 163 V HN 0.041 nan 8.190 nan 0.000 0.453 164 I N 0.645 121.333 120.570 0.197 0.000 2.179 164 I HA -0.265 3.908 4.170 0.005 0.000 0.242 164 I C 2.708 178.880 176.117 0.090 0.000 1.088 164 I CA 1.591 62.985 61.300 0.157 0.000 1.357 164 I CB -0.604 37.483 38.000 0.145 0.000 1.051 164 I HN 0.290 nan 8.210 nan 0.000 0.409 165 A N 0.547 123.411 122.820 0.074 0.000 1.948 165 A HA -0.289 4.034 4.320 0.005 0.000 0.220 165 A C 2.475 180.091 177.584 0.053 0.000 1.177 165 A CA 2.318 54.389 52.037 0.056 0.000 0.636 165 A CB -1.000 18.030 19.000 0.049 0.000 0.815 165 A HN 0.540 nan 8.150 nan 0.000 0.449 166 S N -0.146 115.590 115.700 0.059 0.000 2.440 166 S HA -0.090 4.382 4.470 0.005 0.000 0.240 166 S C 1.323 175.949 174.600 0.043 0.000 1.014 166 S CA 1.434 59.664 58.200 0.051 0.000 0.980 166 S CB -0.615 62.616 63.200 0.053 0.000 0.775 166 S HN 0.475 nan 8.310 nan 0.000 0.499 167 L N 1.097 122.347 121.223 0.045 0.000 2.688 167 L HA 0.339 4.682 4.340 0.005 0.000 0.234 167 L C 1.777 178.666 176.870 0.031 0.000 1.192 167 L CA 0.170 55.030 54.840 0.032 0.000 0.984 167 L CB -0.982 41.094 42.059 0.029 0.000 1.232 167 L HN 0.575 nan 8.230 nan 0.000 0.465 168 G N 1.047 109.868 108.800 0.035 0.000 2.175 168 G HA2 -0.324 3.639 3.960 0.005 0.000 0.265 168 G HA3 -0.324 3.639 3.960 0.005 0.000 0.265 168 G C 0.255 175.174 174.900 0.031 0.000 0.979 168 G CA 0.107 45.226 45.100 0.032 0.000 0.663 168 G HN 0.390 nan 8.290 nan 0.000 0.533 169 I N 1.046 121.637 120.570 0.035 0.000 2.337 169 I HA 0.466 4.639 4.170 0.005 0.000 0.291 169 I C 1.624 177.761 176.117 0.033 0.000 1.046 169 I CA 0.156 61.476 61.300 0.034 0.000 1.324 169 I CB 1.411 39.435 38.000 0.040 0.000 1.409 169 I HN 0.127 nan 8.210 nan 0.000 0.494 170 A N 6.119 128.956 122.820 0.028 0.000 2.016 170 A HA 0.008 4.331 4.320 0.005 0.000 0.217 170 A C 0.647 178.246 177.584 0.025 0.000 1.162 170 A CA 0.925 52.978 52.037 0.026 0.000 0.662 170 A CB -0.152 18.861 19.000 0.022 0.000 0.812 170 A HN 0.800 nan 8.150 nan 0.000 0.450 171 E N -1.525 118.689 120.200 0.025 0.000 2.430 171 E HA 0.563 4.916 4.350 0.005 0.000 0.279 171 E C -1.171 175.442 176.600 0.023 0.000 1.003 171 E CA -0.812 55.602 56.400 0.022 0.000 0.801 171 E CB 1.665 31.376 29.700 0.019 0.000 1.313 171 E HN 0.388 nan 8.360 nan 0.000 0.459 172 V N -3.262 116.664 119.914 0.019 0.000 3.049 172 V HA 0.675 4.798 4.120 0.005 0.000 0.309 172 V C -2.898 173.204 176.094 0.014 0.000 1.148 172 V CA -2.530 59.782 62.300 0.019 0.000 0.990 172 V CB 1.726 33.562 31.823 0.020 0.000 1.039 172 V HN 0.670 nan 8.190 nan 0.000 0.430 173 P HA 0.451 nan 4.420 nan 0.000 0.281 173 P C -0.597 176.707 177.300 0.006 0.000 1.252 173 P CA -0.068 63.039 63.100 0.011 0.000 0.778 173 P CB 1.485 33.193 31.700 0.013 0.000 0.895 174 V N 1.501 121.417 119.914 0.003 0.000 2.914 174 V HA 0.508 4.631 4.120 0.005 0.000 0.314 174 V C 0.207 176.302 176.094 0.002 0.000 1.084 174 V CA -1.459 60.840 62.300 -0.002 0.000 0.963 174 V CB 1.631 33.449 31.823 -0.009 0.000 1.025 174 V HN 0.291 nan 8.190 nan 0.000 0.432 175 I N 3.685 124.256 120.570 0.001 0.000 2.683 175 I HA 0.192 4.365 4.170 0.005 0.000 0.286 175 I C 1.314 177.436 176.117 0.008 0.000 1.175 175 I CA 0.111 61.414 61.300 0.006 0.000 1.429 175 I CB 0.431 38.435 38.000 0.006 0.000 1.371 175 I HN 0.872 nan 8.210 nan 0.000 0.569 176 R N 6.088 126.596 120.500 0.013 0.000 2.734 176 R HA 0.193 4.535 4.340 0.005 0.000 0.266 176 R C -0.511 175.800 176.300 0.017 0.000 1.044 176 R CA -0.537 55.572 56.100 0.015 0.000 1.128 176 R CB 0.301 30.611 30.300 0.018 0.000 1.010 176 R HN 0.406 nan 8.270 nan 0.000 0.461 177 K N 1.085 121.496 120.400 0.019 0.000 2.319 177 K HA 0.087 4.410 4.320 0.005 0.000 0.265 177 K C -0.350 176.265 176.600 0.026 0.000 1.000 177 K CA -0.489 55.811 56.287 0.021 0.000 0.943 177 K CB 0.737 33.250 32.500 0.022 0.000 0.950 177 K HN 0.293 nan 8.250 nan 0.000 0.485 178 V N 3.081 123.012 119.914 0.029 0.000 2.555 178 V HA 0.087 4.210 4.120 0.005 0.000 0.286 178 V C 0.431 176.547 176.094 0.037 0.000 1.044 178 V CA -0.178 62.145 62.300 0.039 0.000 1.026 178 V CB 0.578 32.426 31.823 0.043 0.000 0.981 178 V HN 0.613 nan 8.190 nan 0.000 0.480 179 R N 3.149 123.674 120.500 0.042 0.000 2.312 179 R HA 0.672 5.015 4.340 0.005 0.000 0.311 179 R C -1.199 175.127 176.300 0.042 0.000 1.004 179 R CA -0.438 55.682 56.100 0.034 0.000 0.902 179 R CB 1.688 32.008 30.300 0.033 0.000 1.073 179 R HN 0.563 nan 8.270 nan 0.000 0.457 180 V N 2.324 122.251 119.914 0.023 0.000 2.483 180 V HA 0.510 4.633 4.120 0.005 0.000 0.297 180 V C -0.200 175.893 176.094 -0.003 0.000 1.027 180 V CA -1.041 61.274 62.300 0.025 0.000 0.855 180 V CB 1.725 33.564 31.823 0.026 0.000 0.995 180 V HN 0.909 nan 8.190 nan 0.000 0.424 181 A N 5.699 128.534 122.820 0.023 0.000 2.309 181 A HA 0.823 5.146 4.320 0.005 0.000 0.298 181 A C -0.712 176.853 177.584 -0.031 0.000 1.165 181 A CA -0.362 51.692 52.037 0.027 0.000 0.821 181 A CB 0.692 19.749 19.000 0.095 0.000 1.102 181 A HN 0.834 nan 8.150 nan 0.000 0.500 182 L N 3.414 124.617 121.223 -0.034 0.000 2.385 182 L HA 0.845 5.188 4.340 0.005 0.000 0.273 182 L C -1.327 175.548 176.870 0.009 0.000 0.990 182 L CA -0.656 54.115 54.840 -0.115 0.000 0.821 182 L CB 1.532 43.519 42.059 -0.120 0.000 1.279 182 L HN 0.907 nan 8.230 nan 0.000 0.412 183 F N 1.244 121.164 119.950 -0.050 0.000 2.779 183 F HA 0.786 5.315 4.527 0.004 0.000 0.316 183 F C -0.870 174.915 175.800 -0.025 0.000 1.164 183 F CA -0.813 57.157 58.000 -0.049 0.000 0.924 183 F CB 1.386 40.332 39.000 -0.091 0.000 1.348 183 F HN 0.356 nan 8.300 nan 0.000 0.467 184 S N -0.392 115.486 115.700 0.296 0.000 2.661 184 S HA 0.895 5.368 4.470 0.005 0.000 0.285 184 S C -1.085 173.661 174.600 0.245 0.000 1.138 184 S CA -0.284 58.038 58.200 0.203 0.000 0.855 184 S CB 1.901 65.168 63.200 0.112 0.000 1.136 184 S HN 1.313 nan 8.310 nan 0.000 0.484 185 T N -1.161 113.502 114.554 0.181 0.000 2.769 185 T HA 0.748 5.101 4.350 0.005 0.000 0.306 185 T C -0.668 174.102 174.700 0.116 0.000 1.400 185 T CA 0.443 62.630 62.100 0.145 0.000 1.007 185 T CB 0.961 69.924 68.868 0.158 0.000 1.392 185 T HN 2.510 nan 8.240 nan 0.000 0.500 186 G N 1.845 110.710 108.800 0.109 0.000 2.653 186 G HA2 0.122 4.085 3.960 0.005 0.000 0.656 186 G HA3 0.122 4.085 3.960 0.005 0.000 0.656 186 G C -0.250 174.695 174.900 0.075 0.000 1.419 186 G CA -0.156 45.002 45.100 0.097 0.000 0.862 186 G HN 0.644 nan 8.290 nan 0.000 0.639 187 D N 0.674 121.115 120.400 0.069 0.000 2.378 187 D HA 0.016 4.659 4.640 0.005 0.000 0.222 187 D C 2.029 178.346 176.300 0.027 0.000 0.980 187 D CA 1.281 55.308 54.000 0.045 0.000 0.907 187 D CB 0.340 41.163 40.800 0.038 0.000 0.899 187 D HN 0.708 nan 8.370 nan 0.000 0.527 188 E N 0.191 120.409 120.200 0.030 0.000 2.072 188 E HA 0.002 4.354 4.350 0.005 0.000 0.190 188 E C 0.773 177.369 176.600 -0.006 0.000 0.982 188 E CA 0.294 56.700 56.400 0.009 0.000 0.803 188 E CB -0.080 29.631 29.700 0.017 0.000 0.755 188 E HN 0.236 nan 8.360 nan 0.000 0.453 189 L N 1.589 122.824 121.223 0.020 0.000 2.453 189 L HA 0.165 4.508 4.340 0.005 0.000 0.272 189 L C 0.050 176.930 176.870 0.017 0.000 1.182 189 L CA -0.160 54.696 54.840 0.026 0.000 0.858 189 L CB 0.235 42.329 42.059 0.057 0.000 1.120 189 L HN 0.120 nan 8.230 nan 0.000 0.474 190 Q N 2.428 122.235 119.800 0.012 0.000 2.379 190 Q HA 0.586 4.929 4.340 0.005 0.000 0.278 190 Q C -1.293 174.816 176.000 0.182 0.000 1.068 190 Q CA -0.506 55.319 55.803 0.036 0.000 0.816 190 Q CB 2.189 30.870 28.738 -0.094 0.000 1.387 190 Q HN 0.448 nan 8.270 nan 0.000 0.413 191 L N 3.374 124.711 121.223 0.189 0.000 2.399 191 L HA 0.638 4.981 4.340 0.005 0.000 0.265 191 L C -1.913 175.124 176.870 0.278 0.000 1.089 191 L CA -2.180 52.785 54.840 0.207 0.000 0.802 191 L CB 0.527 42.652 42.059 0.110 0.000 1.180 191 L HN 0.575 nan 8.230 nan 0.000 0.454 192 P HA -0.065 nan 4.420 nan 0.000 0.269 192 P C 0.758 178.088 177.300 0.050 0.000 1.185 192 P CA 1.444 64.524 63.100 -0.033 0.000 0.769 192 P CB 0.464 32.116 31.700 -0.081 0.000 0.809 193 G N 0.528 109.350 108.800 0.036 0.000 2.729 193 G HA2 -0.176 3.787 3.960 0.005 0.000 0.216 193 G HA3 -0.176 3.787 3.960 0.005 0.000 0.216 193 G C -0.322 174.635 174.900 0.094 0.000 1.252 193 G CA -0.284 44.848 45.100 0.053 0.000 0.751 193 G HN 0.640 nan 8.290 nan 0.000 0.527 194 Q N 2.094 121.982 119.800 0.146 0.000 2.226 194 Q HA 0.611 4.954 4.340 0.005 0.000 0.256 194 Q C -2.358 173.737 176.000 0.159 0.000 0.962 194 Q CA -1.879 53.998 55.803 0.124 0.000 0.887 194 Q CB 2.105 30.898 28.738 0.092 0.000 1.282 194 Q HN 0.440 nan 8.270 nan 0.000 0.449 195 P HA 0.216 nan 4.420 nan 0.000 0.293 195 P C -0.569 176.720 177.300 -0.017 0.000 1.298 195 P CA -0.469 62.669 63.100 0.062 0.000 0.757 195 P CB 0.600 32.326 31.700 0.043 0.000 1.262 196 L N -0.197 121.001 121.223 -0.042 0.000 2.502 196 L HA 0.326 4.669 4.340 0.005 0.000 0.247 196 L C 0.965 177.803 176.870 -0.054 0.000 1.180 196 L CA -0.572 54.209 54.840 -0.100 0.000 0.956 196 L CB -0.310 41.666 42.059 -0.139 0.000 1.282 196 L HN 0.513 nan 8.230 nan 0.000 0.470 197 G N 1.204 109.980 108.800 -0.039 0.000 2.417 197 G HA2 -0.140 3.823 3.960 0.005 0.000 0.285 197 G HA3 -0.140 3.823 3.960 0.005 0.000 0.285 197 G C 1.061 175.949 174.900 -0.021 0.000 0.715 197 G CA 0.344 45.431 45.100 -0.021 0.000 1.206 197 G HN 0.716 nan 8.290 nan 0.000 0.292 198 D N 2.873 123.265 120.400 -0.013 0.000 2.347 198 D HA -0.272 4.371 4.640 0.005 0.000 0.587 198 D C 2.172 178.462 176.300 -0.016 0.000 0.695 198 D CA 2.603 56.597 54.000 -0.010 0.000 1.643 198 D CB -0.969 39.829 40.800 -0.003 0.000 0.231 198 D HN 0.651 nan 8.370 nan 0.000 0.328 199 G N 1.179 109.971 108.800 -0.013 0.000 3.327 199 G HA2 0.081 4.044 3.960 0.005 0.000 0.240 199 G HA3 0.081 4.044 3.960 0.005 0.000 0.240 199 G C 0.494 175.379 174.900 -0.025 0.000 1.222 199 G CA -0.111 44.981 45.100 -0.012 0.000 0.871 199 G HN 0.299 nan 8.290 nan 0.000 0.525 200 Q N -0.015 119.756 119.800 -0.049 0.000 2.421 200 Q HA 0.437 4.780 4.340 0.005 0.000 0.255 200 Q C 0.016 175.935 176.000 -0.135 0.000 1.013 200 Q CA 0.337 56.089 55.803 -0.084 0.000 0.895 200 Q CB 1.449 30.122 28.738 -0.109 0.000 1.271 200 Q HN 0.557 nan 8.270 nan 0.000 0.460 201 I N -2.476 118.005 120.570 -0.149 0.000 3.074 201 I HA 0.411 4.584 4.170 0.005 0.000 0.310 201 I C -1.114 174.869 176.117 -0.223 0.000 1.153 201 I CA -1.266 59.926 61.300 -0.180 0.000 0.993 201 I CB 1.185 39.171 38.000 -0.025 0.000 1.237 201 I HN 0.409 nan 8.210 nan 0.000 0.443 202 Y N 0.520 120.852 120.300 0.053 0.000 2.326 202 Y HA 0.288 4.842 4.550 0.006 0.000 0.333 202 Y C 0.090 176.015 175.900 0.043 0.000 1.240 202 Y CA 0.083 58.211 58.100 0.046 0.000 1.365 202 Y CB 0.622 39.110 38.460 0.047 0.000 1.289 202 Y HN 0.565 nan 8.280 nan 0.000 0.548 203 D N 0.865 121.395 120.400 0.217 0.000 2.485 203 D HA 0.108 4.751 4.640 0.005 0.000 0.229 203 D C 0.632 176.990 176.300 0.096 0.000 1.101 203 D CA -0.327 53.747 54.000 0.124 0.000 0.906 203 D CB 0.571 41.434 40.800 0.105 0.000 1.019 203 D HN 0.645 nan 8.370 nan 0.000 0.516 204 T N 0.933 115.534 114.554 0.078 0.000 2.976 204 T HA -0.053 4.300 4.350 0.005 0.000 0.257 204 T C 1.523 176.226 174.700 0.005 0.000 1.051 204 T CA 0.225 62.346 62.100 0.035 0.000 1.141 204 T CB -0.139 68.744 68.868 0.026 0.000 0.881 204 T HN 0.097 nan 8.240 nan 0.000 0.461 205 N N 1.705 120.413 118.700 0.014 0.000 2.091 205 N HA -0.110 4.633 4.740 0.005 0.000 0.193 205 N C 1.918 177.400 175.510 -0.046 0.000 1.021 205 N CA 1.547 54.589 53.050 -0.013 0.000 0.862 205 N CB -0.481 38.014 38.487 0.013 0.000 1.018 205 N HN 0.509 nan 8.380 nan 0.000 0.429 206 R N 0.621 121.113 120.500 -0.014 0.000 2.070 206 R HA -0.017 4.325 4.340 0.005 0.000 0.232 206 R C 2.240 178.535 176.300 -0.008 0.000 1.138 206 R CA 0.914 57.007 56.100 -0.012 0.000 0.936 206 R CB -0.566 29.754 30.300 0.033 0.000 0.839 206 R HN 0.202 nan 8.270 nan 0.000 0.429 207 L N 0.358 121.578 121.223 -0.006 0.000 1.997 207 L HA -0.248 4.095 4.340 0.005 0.000 0.216 207 L C 2.342 179.165 176.870 -0.078 0.000 1.074 207 L CA 2.122 56.943 54.840 -0.033 0.000 0.763 207 L CB -0.820 41.210 42.059 -0.049 0.000 0.890 207 L HN 0.452 nan 8.230 nan 0.000 0.434 208 A N -0.695 122.061 122.820 -0.107 0.000 1.873 208 A HA -0.220 4.103 4.320 0.005 0.000 0.218 208 A C 2.196 179.619 177.584 -0.269 0.000 1.193 208 A CA 2.341 54.273 52.037 -0.176 0.000 0.629 208 A CB -1.026 17.874 19.000 -0.167 0.000 0.826 208 A HN 0.373 nan 8.150 nan 0.000 0.447 209 V N -0.498 119.238 119.914 -0.296 0.000 2.358 209 V HA -0.233 3.890 4.120 0.005 0.000 0.246 209 V C 2.547 178.462 176.094 -0.299 0.000 1.047 209 V CA 2.166 64.161 62.300 -0.508 0.000 1.035 209 V CB -1.001 30.551 31.823 -0.452 0.000 0.658 209 V HN 0.789 nan 8.190 nan 0.000 0.452 210 H N 0.501 119.434 119.070 -0.228 0.000 2.319 210 H HA -0.157 4.402 4.556 0.005 0.000 0.297 210 H C 2.156 177.400 175.328 -0.139 0.000 1.097 210 H CA 2.165 58.128 56.048 -0.143 0.000 1.285 210 H CB -0.404 29.303 29.762 -0.092 0.000 1.368 210 H HN 0.339 nan 8.280 nan 0.000 0.495 211 L N -0.345 120.894 121.223 0.028 0.000 2.012 211 L HA -0.255 4.088 4.340 0.005 0.000 0.210 211 L C 3.067 179.886 176.870 -0.085 0.000 1.073 211 L CA 1.738 56.538 54.840 -0.066 0.000 0.748 211 L CB -0.436 41.535 42.059 -0.148 0.000 0.891 211 L HN 0.276 nan 8.230 nan 0.000 0.431 212 M N -0.842 118.653 119.600 -0.175 0.000 2.099 212 M HA -0.207 4.276 4.480 0.005 0.000 0.262 212 M C 2.396 178.695 176.300 -0.001 0.000 1.067 212 M CA 1.714 56.930 55.300 -0.140 0.000 1.124 212 M CB -0.510 31.952 32.600 -0.230 0.000 1.353 212 M HN 0.217 nan 8.290 nan 0.000 0.410 213 L N 0.128 121.350 121.223 -0.002 0.000 2.043 213 L HA -0.256 4.087 4.340 0.005 0.000 0.212 213 L C 2.461 179.364 176.870 0.056 0.000 1.075 213 L CA 1.507 56.394 54.840 0.079 0.000 0.752 213 L CB -0.671 41.399 42.059 0.018 0.000 0.891 213 L HN 0.380 nan 8.230 nan 0.000 0.432 214 E N -0.658 119.575 120.200 0.056 0.000 2.072 214 E HA -0.215 4.138 4.350 0.005 0.000 0.191 214 E C 2.227 178.850 176.600 0.039 0.000 0.985 214 E CA 0.815 57.252 56.400 0.062 0.000 0.801 214 E CB -0.042 29.714 29.700 0.093 0.000 0.750 214 E HN 0.451 nan 8.360 nan 0.000 0.452 215 Q N 0.201 120.012 119.800 0.019 0.000 2.291 215 Q HA -0.081 4.262 4.340 0.005 0.000 0.206 215 Q C 2.013 178.031 176.000 0.030 0.000 0.976 215 Q CA 0.833 56.644 55.803 0.013 0.000 0.875 215 Q CB -0.073 28.652 28.738 -0.022 0.000 0.927 215 Q HN 0.354 nan 8.270 nan 0.000 0.450 216 L N -0.961 120.283 121.223 0.035 0.000 2.591 216 L HA 0.165 4.508 4.340 0.005 0.000 0.228 216 L C 1.002 177.890 176.870 0.031 0.000 1.133 216 L CA 0.383 55.241 54.840 0.030 0.000 0.880 216 L CB -0.140 41.942 42.059 0.038 0.000 1.033 216 L HN 0.258 nan 8.230 nan 0.000 0.450 217 G N -0.539 108.285 108.800 0.040 0.000 2.149 217 G HA2 -0.240 3.723 3.960 0.005 0.000 0.235 217 G HA3 -0.240 3.723 3.960 0.005 0.000 0.235 217 G C 0.143 175.063 174.900 0.033 0.000 1.018 217 G CA -0.053 45.071 45.100 0.041 0.000 0.728 217 G HN 0.329 nan 8.290 nan 0.000 0.508 218 C N -0.151 119.169 119.300 0.034 0.000 2.347 218 C HA 0.647 5.110 4.460 0.005 0.000 0.366 218 C C 0.827 175.830 174.990 0.022 0.000 1.241 218 C CA -0.679 58.355 59.018 0.028 0.000 2.360 218 C CB 1.280 29.038 27.740 0.029 0.000 2.290 218 C HN 0.558 nan 8.230 nan 0.000 0.587 219 E N 0.611 120.820 120.200 0.015 0.000 2.115 219 E HA 0.394 4.747 4.350 0.005 0.000 0.282 219 E C -1.069 175.517 176.600 -0.022 0.000 0.987 219 E CA -0.144 56.261 56.400 0.007 0.000 0.797 219 E CB 1.136 30.844 29.700 0.014 0.000 1.086 219 E HN 0.390 nan 8.360 nan 0.000 0.397 220 V N 5.520 125.396 119.914 -0.063 0.000 2.439 220 V HA 0.285 4.408 4.120 0.005 0.000 0.282 220 V C 0.098 176.117 176.094 -0.124 0.000 1.039 220 V CA -0.438 61.758 62.300 -0.173 0.000 0.913 220 V CB 1.111 32.648 31.823 -0.475 0.000 0.983 220 V HN 0.594 nan 8.190 nan 0.000 0.460 221 I N 4.517 125.033 120.570 -0.090 0.000 2.388 221 I HA 0.313 4.486 4.170 0.005 0.000 0.281 221 I C 0.106 176.202 176.117 -0.034 0.000 1.046 221 I CA -0.027 61.252 61.300 -0.034 0.000 1.187 221 I CB 0.799 38.802 38.000 0.006 0.000 1.351 221 I HN 0.604 nan 8.210 nan 0.000 0.472 222 N N 6.436 125.114 118.700 -0.036 0.000 2.558 222 N HA 0.218 4.961 4.740 0.005 0.000 0.233 222 N C 0.240 175.789 175.510 0.065 0.000 1.038 222 N CA -0.463 52.590 53.050 0.004 0.000 0.934 222 N CB 0.641 39.154 38.487 0.042 0.000 1.175 222 N HN 0.441 nan 8.380 nan 0.000 0.512 223 L N 2.762 124.044 121.223 0.099 0.000 2.672 223 L HA 0.325 4.668 4.340 0.005 0.000 0.236 223 L C 1.600 178.514 176.870 0.073 0.000 1.186 223 L CA 0.276 55.157 54.840 0.069 0.000 0.977 223 L CB -1.970 40.104 42.059 0.025 0.000 1.203 223 L HN 0.774 nan 8.230 nan 0.000 0.448 224 G N 0.844 109.705 108.800 0.102 0.000 2.569 224 G HA2 -0.310 3.653 3.960 0.005 0.000 0.259 224 G HA3 -0.310 3.653 3.960 0.005 0.000 0.259 224 G C 0.054 175.020 174.900 0.109 0.000 1.263 224 G CA -0.245 44.909 45.100 0.091 0.000 0.928 224 G HN 0.223 nan 8.290 nan 0.000 0.572 225 I N 1.639 122.257 120.570 0.080 0.000 2.304 225 I HA 0.273 4.446 4.170 0.005 0.000 0.291 225 I C 0.497 176.640 176.117 0.045 0.000 1.018 225 I CA -0.763 60.587 61.300 0.083 0.000 1.260 225 I CB 0.939 38.983 38.000 0.074 0.000 1.390 225 I HN 0.248 nan 8.210 nan 0.000 0.475 226 I N 6.445 127.033 120.570 0.030 0.000 2.519 226 I HA 0.232 4.405 4.170 0.005 0.000 0.287 226 I C 0.964 177.097 176.117 0.026 0.000 1.047 226 I CA -0.311 60.968 61.300 -0.035 0.000 1.381 226 I CB 0.269 38.166 38.000 -0.172 0.000 1.417 226 I HN 0.559 nan 8.210 nan 0.000 0.540 227 R N 2.929 123.444 120.500 0.024 0.000 2.738 227 R HA 0.023 4.366 4.340 0.005 0.000 0.268 227 R C -0.358 175.996 176.300 0.091 0.000 1.062 227 R CA -0.420 55.709 56.100 0.049 0.000 1.158 227 R CB 0.249 30.568 30.300 0.033 0.000 1.046 227 R HN 0.428 nan 8.270 nan 0.000 0.493 228 D N 0.902 121.361 120.400 0.099 0.000 2.801 228 D HA 0.054 4.697 4.640 0.005 0.000 0.232 228 D C -1.145 175.193 176.300 0.063 0.000 1.128 228 D CA 0.433 54.535 54.000 0.171 0.000 1.003 228 D CB -0.251 40.641 40.800 0.153 0.000 1.110 228 D HN 0.347 nan 8.370 nan 0.000 0.477 229 D N -0.293 120.154 120.400 0.078 0.000 2.964 229 D HA 0.230 4.873 4.640 0.005 0.000 0.234 229 D C -1.893 174.427 176.300 0.033 0.000 1.223 229 D CA -1.769 52.197 54.000 -0.056 0.000 0.889 229 D CB 2.021 42.829 40.800 0.013 0.000 1.609 229 D HN -0.123 nan 8.370 nan 0.000 0.523 230 P HA -0.186 nan 4.420 nan 0.000 0.218 230 P C 0.888 178.154 177.300 -0.056 0.000 1.149 230 P CA 1.182 64.287 63.100 0.009 0.000 0.817 230 P CB 0.152 31.736 31.700 -0.192 0.000 0.785 231 H N 0.219 119.308 119.070 0.031 0.000 2.363 231 H HA 0.066 4.624 4.556 0.004 0.000 0.301 231 H C 2.173 177.512 175.328 0.018 0.000 1.074 231 H CA 1.498 57.557 56.048 0.018 0.000 1.354 231 H CB -0.874 28.885 29.762 -0.005 0.000 1.397 231 H HN 0.110 nan 8.280 nan 0.000 0.516 232 A N 1.762 124.665 122.820 0.138 0.000 1.908 232 A HA -0.124 4.199 4.320 0.005 0.000 0.218 232 A C 2.567 180.157 177.584 0.009 0.000 1.181 232 A CA 1.170 53.239 52.037 0.053 0.000 0.627 232 A CB -0.722 18.301 19.000 0.038 0.000 0.818 232 A HN 0.292 nan 8.150 nan 0.000 0.445 233 L N -1.156 120.110 121.223 0.072 0.000 2.095 233 L HA -0.048 4.295 4.340 0.005 0.000 0.204 233 L C 2.672 179.642 176.870 0.168 0.000 1.080 233 L CA 1.799 56.683 54.840 0.073 0.000 0.759 233 L CB -0.619 41.567 42.059 0.213 0.000 0.914 233 L HN 0.539 nan 8.230 nan 0.000 0.439 234 R N -0.025 120.573 120.500 0.164 0.000 2.073 234 R HA -0.164 4.179 4.340 0.005 0.000 0.234 234 R C 2.272 178.643 176.300 0.119 0.000 1.134 234 R CA 1.676 57.867 56.100 0.151 0.000 0.952 234 R CB -0.240 30.098 30.300 0.063 0.000 0.850 234 R HN 0.402 nan 8.270 nan 0.000 0.433 235 A N 0.660 123.517 122.820 0.063 0.000 1.908 235 A HA -0.162 4.160 4.320 0.005 0.000 0.218 235 A C 2.365 179.931 177.584 -0.030 0.000 1.181 235 A CA 1.862 53.913 52.037 0.023 0.000 0.627 235 A CB -0.893 18.114 19.000 0.013 0.000 0.818 235 A HN 0.573 nan 8.150 nan 0.000 0.445 236 A N -1.305 121.439 122.820 -0.127 0.000 1.902 236 A HA -0.021 4.302 4.320 0.005 0.000 0.217 236 A C 2.014 179.430 177.584 -0.280 0.000 1.181 236 A CA 1.485 53.315 52.037 -0.344 0.000 0.623 236 A CB -0.750 17.803 19.000 -0.744 0.000 0.818 236 A HN 0.488 nan 8.150 nan 0.000 0.443 237 F N -0.293 119.563 119.950 -0.157 0.000 2.134 237 F HA -0.125 4.405 4.527 0.005 0.000 0.299 237 F C 2.133 177.931 175.800 -0.004 0.000 1.097 237 F CA 1.503 59.499 58.000 -0.005 0.000 1.264 237 F CB -0.257 38.725 39.000 -0.031 0.000 1.001 237 F HN 0.122 nan 8.300 nan 0.000 0.479 238 I N -0.132 120.535 120.570 0.162 0.000 2.163 238 I HA -0.271 3.902 4.170 0.005 0.000 0.240 238 I C 2.475 178.628 176.117 0.059 0.000 1.081 238 I CA 1.531 62.883 61.300 0.086 0.000 1.353 238 I CB -0.460 37.569 38.000 0.048 0.000 1.054 238 I HN 0.053 nan 8.210 nan 0.000 0.407 239 E N 1.767 121.986 120.200 0.032 0.000 2.049 239 E HA -0.286 4.067 4.350 0.005 0.000 0.198 239 E C 2.067 178.690 176.600 0.039 0.000 1.007 239 E CA 2.205 58.616 56.400 0.018 0.000 0.809 239 E CB -0.474 29.220 29.700 -0.010 0.000 0.749 239 E HN 0.402 nan 8.360 nan 0.000 0.450 240 A N 0.576 123.433 122.820 0.060 0.000 1.859 240 A HA -0.286 4.037 4.320 0.005 0.000 0.217 240 A C 2.269 179.915 177.584 0.103 0.000 1.198 240 A CA 2.378 54.479 52.037 0.106 0.000 0.629 240 A CB -1.425 17.695 19.000 0.199 0.000 0.830 240 A HN 0.555 nan 8.150 nan 0.000 0.446 241 D N -0.519 119.953 120.400 0.120 0.000 2.182 241 D HA -0.174 4.469 4.640 0.005 0.000 0.201 241 D C 2.129 178.455 176.300 0.043 0.000 0.986 241 D CA 2.052 56.104 54.000 0.087 0.000 0.847 241 D CB -0.056 40.791 40.800 0.079 0.000 0.942 241 D HN 0.493 nan 8.370 nan 0.000 0.467 242 S N -1.062 114.661 115.700 0.038 0.000 2.402 242 S HA -0.135 4.338 4.470 0.005 0.000 0.229 242 S C 1.606 176.218 174.600 0.020 0.000 1.021 242 S CA 0.718 58.930 58.200 0.020 0.000 0.974 242 S CB -0.153 63.056 63.200 0.016 0.000 0.800 242 S HN 0.242 nan 8.310 nan 0.000 0.484 243 Q N 0.725 120.542 119.800 0.030 0.000 2.219 243 Q HA 0.584 4.927 4.340 0.005 0.000 0.209 243 Q C 0.238 176.257 176.000 0.032 0.000 0.854 243 Q CA 0.410 56.229 55.803 0.027 0.000 0.960 243 Q CB 0.895 29.648 28.738 0.026 0.000 1.116 243 Q HN 0.674 nan 8.270 nan 0.000 0.500 244 A N 0.057 122.901 122.820 0.041 0.000 2.569 244 A HA 0.521 4.844 4.320 0.005 0.000 0.290 244 A C -0.392 177.226 177.584 0.057 0.000 1.136 244 A CA -0.556 51.512 52.037 0.051 0.000 0.710 244 A CB 1.060 20.097 19.000 0.061 0.000 1.303 244 A HN -0.079 nan 8.150 nan 0.000 0.413 245 D N -0.617 119.828 120.400 0.075 0.000 2.327 245 D HA 0.203 4.846 4.640 0.005 0.000 0.205 245 D C 0.153 176.556 176.300 0.172 0.000 0.989 245 D CA 1.141 55.203 54.000 0.104 0.000 0.873 245 D CB 0.689 41.557 40.800 0.113 0.000 0.955 245 D HN 0.190 nan 8.370 nan 0.000 0.515 246 V N 0.761 120.770 119.914 0.157 0.000 3.007 246 V HA 0.410 4.533 4.120 0.005 0.000 0.311 246 V C -0.499 175.683 176.094 0.146 0.000 1.120 246 V CA -0.859 61.558 62.300 0.196 0.000 0.980 246 V CB 3.219 35.150 31.823 0.179 0.000 1.033 246 V HN -0.258 nan 8.190 nan 0.000 0.429 247 V N 4.142 124.160 119.914 0.173 0.000 2.709 247 V HA 0.610 4.732 4.120 0.005 0.000 0.308 247 V C -0.827 175.311 176.094 0.074 0.000 1.062 247 V CA -0.395 61.998 62.300 0.155 0.000 0.901 247 V CB 1.970 33.973 31.823 0.299 0.000 1.003 247 V HN 0.689 nan 8.190 nan 0.000 0.425 248 I N 3.020 123.529 120.570 -0.101 0.000 2.500 248 I HA 0.336 4.509 4.170 0.005 0.000 0.286 248 I C 0.023 175.902 176.117 -0.396 0.000 1.063 248 I CA -0.341 60.829 61.300 -0.217 0.000 1.062 248 I CB 2.219 40.156 38.000 -0.106 0.000 1.223 248 I HN 0.629 nan 8.210 nan 0.000 0.435 249 S N 3.673 119.189 115.700 -0.308 0.000 2.448 249 S HA 0.098 4.571 4.470 0.005 0.000 0.279 249 S C 1.303 175.812 174.600 -0.151 0.000 1.195 249 S CA -0.139 57.869 58.200 -0.319 0.000 1.051 249 S CB 0.835 64.066 63.200 0.052 0.000 0.948 249 S HN 0.757 nan 8.310 nan 0.000 0.493 250 S N 3.776 119.392 115.700 -0.139 0.000 2.515 250 S HA 0.374 4.847 4.470 0.005 0.000 0.231 250 S C 0.981 175.588 174.600 0.011 0.000 0.987 250 S CA 0.221 58.390 58.200 -0.053 0.000 0.936 250 S CB -0.685 62.483 63.200 -0.054 0.000 0.766 250 S HN 1.648 nan 8.310 nan 0.000 0.528 251 G N -2.158 106.663 108.800 0.034 0.000 2.352 251 G HA2 0.520 4.483 3.960 0.005 0.000 0.303 251 G HA3 0.520 4.483 3.960 0.005 0.000 0.303 251 G C 0.174 175.131 174.900 0.096 0.000 1.593 251 G CA -0.135 45.010 45.100 0.075 0.000 0.963 251 G HN 1.293 nan 8.290 nan 0.000 0.685 252 G N -1.383 107.478 108.800 0.102 0.000 2.561 252 G HA2 0.017 3.980 3.960 0.005 0.000 0.203 252 G HA3 0.017 3.980 3.960 0.005 0.000 0.203 252 G C 0.724 175.680 174.900 0.094 0.000 1.101 252 G CA 0.646 45.806 45.100 0.100 0.000 0.711 252 G HN 1.891 nan 8.290 nan 0.000 0.511 253 V N 2.275 122.280 119.914 0.151 0.000 2.872 253 V HA 0.450 4.573 4.120 0.005 0.000 0.307 253 V C 1.534 177.706 176.094 0.130 0.000 1.072 253 V CA 0.769 63.175 62.300 0.176 0.000 1.148 253 V CB 1.504 33.549 31.823 0.371 0.000 0.954 253 V HN 0.783 nan 8.190 nan 0.000 0.490 254 S N 2.304 118.041 115.700 0.062 0.000 2.575 254 S HA 0.042 4.515 4.470 0.005 0.000 0.295 254 S C 0.536 175.229 174.600 0.155 0.000 1.267 254 S CA -0.279 57.929 58.200 0.014 0.000 1.074 254 S CB 0.415 63.539 63.200 -0.127 0.000 0.829 254 S HN 0.927 nan 8.310 nan 0.000 0.497 255 V N 2.933 122.916 119.914 0.115 0.000 3.170 255 V HA 0.660 4.783 4.120 0.005 0.000 0.354 255 V C 1.320 177.494 176.094 0.133 0.000 1.350 255 V CA 0.204 62.639 62.300 0.225 0.000 1.244 255 V CB -0.626 31.310 31.823 0.189 0.000 1.222 255 V HN 1.141 nan 8.190 nan 0.000 0.478 256 G N -0.028 108.590 108.800 -0.303 0.000 2.624 256 G HA2 -0.162 3.801 3.960 0.005 0.000 0.190 256 G HA3 -0.162 3.801 3.960 0.005 0.000 0.190 256 G C 0.049 174.701 174.900 -0.413 0.000 1.008 256 G CA -0.071 44.669 45.100 -0.599 0.000 0.731 256 G HN 0.538 nan 8.290 nan 0.000 0.478 257 E N 1.000 121.063 120.200 -0.229 0.000 2.383 257 E HA 0.577 4.930 4.350 0.005 0.000 0.264 257 E C 0.680 177.180 176.600 -0.167 0.000 1.050 257 E CA 0.224 56.538 56.400 -0.144 0.000 0.896 257 E CB 1.018 30.678 29.700 -0.066 0.000 0.982 257 E HN 0.587 nan 8.360 nan 0.000 0.424 258 A N 5.027 127.777 122.820 -0.117 0.000 2.457 258 A HA 0.174 4.497 4.320 0.005 0.000 0.298 258 A C -0.390 177.160 177.584 -0.056 0.000 1.288 258 A CA 0.121 52.099 52.037 -0.098 0.000 0.956 258 A CB -0.247 18.714 19.000 -0.065 0.000 1.135 258 A HN 0.667 nan 8.150 nan 0.000 0.535 259 D N 1.484 121.844 120.400 -0.066 0.000 2.838 259 D HA 0.042 4.685 4.640 0.005 0.000 0.334 259 D C 0.281 176.569 176.300 -0.021 0.000 1.315 259 D CA -0.263 53.732 54.000 -0.008 0.000 0.917 259 D CB 0.046 40.830 40.800 -0.027 0.000 1.435 259 D HN 0.405 nan 8.370 nan 0.000 0.517 260 Y N -1.127 119.153 120.300 -0.034 0.000 2.516 260 Y HA 0.043 4.596 4.550 0.004 0.000 0.291 260 Y C 2.223 178.100 175.900 -0.039 0.000 1.131 260 Y CA 1.516 59.591 58.100 -0.043 0.000 1.281 260 Y CB -0.660 37.774 38.460 -0.043 0.000 1.013 260 Y HN 0.384 nan 8.280 nan 0.000 0.554 261 T N -1.751 112.397 114.554 -0.677 0.000 2.896 261 T HA -0.114 4.239 4.350 0.005 0.000 0.263 261 T C 1.752 176.313 174.700 -0.232 0.000 1.050 261 T CA 1.295 63.137 62.100 -0.430 0.000 1.140 261 T CB -0.297 68.350 68.868 -0.368 0.000 0.877 261 T HN 0.401 nan 8.240 nan 0.000 0.457 262 K N 1.346 121.630 120.400 -0.193 0.000 2.057 262 K HA -0.113 4.210 4.320 0.005 0.000 0.206 262 K C 2.617 179.150 176.600 -0.112 0.000 1.050 262 K CA 1.821 58.023 56.287 -0.142 0.000 0.935 262 K CB -0.589 31.790 32.500 -0.201 0.000 0.715 262 K HN 0.573 nan 8.250 nan 0.000 0.439 263 T N -0.786 113.709 114.554 -0.099 0.000 2.788 263 T HA -0.115 4.238 4.350 0.005 0.000 0.268 263 T C 1.910 176.543 174.700 -0.111 0.000 1.044 263 T CA 1.352 63.407 62.100 -0.074 0.000 1.139 263 T CB -0.432 68.414 68.868 -0.036 0.000 0.867 263 T HN 0.213 nan 8.240 nan 0.000 0.454 264 I N 0.816 121.295 120.570 -0.153 0.000 2.226 264 I HA -0.087 4.086 4.170 0.005 0.000 0.245 264 I C 2.658 178.553 176.117 -0.370 0.000 1.100 264 I CA 1.175 62.331 61.300 -0.240 0.000 1.374 264 I CB -0.431 37.401 38.000 -0.282 0.000 1.057 264 I HN 0.224 nan 8.210 nan 0.000 0.413 265 L N 0.375 121.356 121.223 -0.404 0.000 2.012 265 L HA -0.248 4.094 4.340 0.005 0.000 0.210 265 L C 2.489 179.192 176.870 -0.277 0.000 1.073 265 L CA 1.694 56.261 54.840 -0.455 0.000 0.748 265 L CB -0.539 41.349 42.059 -0.285 0.000 0.891 265 L HN 0.282 nan 8.230 nan 0.000 0.431 266 E N -0.613 119.498 120.200 -0.149 0.000 2.204 266 E HA -0.240 4.113 4.350 0.005 0.000 0.194 266 E C 1.992 178.524 176.600 -0.113 0.000 0.989 266 E CA 0.717 57.061 56.400 -0.094 0.000 0.824 266 E CB 0.035 29.716 29.700 -0.031 0.000 0.756 266 E HN 0.445 nan 8.360 nan 0.000 0.477 267 E N 0.816 120.935 120.200 -0.135 0.000 2.051 267 E HA -0.172 4.181 4.350 0.005 0.000 0.192 267 E C 1.817 178.332 176.600 -0.141 0.000 0.991 267 E CA 0.860 57.187 56.400 -0.122 0.000 0.799 267 E CB 0.116 29.744 29.700 -0.120 0.000 0.748 267 E HN 0.236 nan 8.360 nan 0.000 0.449 268 L N -0.591 120.512 121.223 -0.201 0.000 2.529 268 L HA 0.277 4.620 4.340 0.005 0.000 0.223 268 L C 1.062 177.818 176.870 -0.190 0.000 1.113 268 L CA 0.228 54.949 54.840 -0.199 0.000 0.861 268 L CB 0.712 42.608 42.059 -0.272 0.000 1.012 268 L HN 0.110 nan 8.230 nan 0.000 0.461 269 G N -0.811 107.867 108.800 -0.202 0.000 2.600 269 G HA2 0.348 4.311 3.960 0.005 0.000 0.293 269 G HA3 0.348 4.311 3.960 0.005 0.000 0.293 269 G C -1.494 173.304 174.900 -0.171 0.000 1.408 269 G CA -0.562 44.423 45.100 -0.191 0.000 0.782 269 G HN -0.112 nan 8.290 nan 0.000 0.482 270 E N 0.388 120.489 120.200 -0.165 0.000 2.035 270 E HA 0.408 4.761 4.350 0.005 0.000 0.271 270 E C -0.927 175.551 176.600 -0.204 0.000 0.953 270 E CA -0.390 55.924 56.400 -0.143 0.000 0.777 270 E CB 1.920 31.560 29.700 -0.099 0.000 1.104 270 E HN 0.162 nan 8.360 nan 0.000 0.408 271 I N 1.998 122.413 120.570 -0.258 0.000 2.441 271 I HA 0.322 4.495 4.170 0.005 0.000 0.295 271 I C -0.010 175.721 176.117 -0.643 0.000 0.994 271 I CA -0.653 60.379 61.300 -0.446 0.000 1.144 271 I CB 1.829 39.538 38.000 -0.485 0.000 1.314 271 I HN 0.423 nan 8.210 nan 0.000 0.445 272 A N 6.085 128.447 122.820 -0.763 0.000 2.312 272 A HA 0.808 5.131 4.320 0.005 0.000 0.326 272 A C -1.185 175.746 177.584 -1.089 0.000 1.172 272 A CA -0.326 51.265 52.037 -0.743 0.000 0.821 272 A CB 0.310 18.967 19.000 -0.571 0.000 1.166 272 A HN 0.462 nan 8.150 nan 0.000 0.493 273 F N 1.949 121.775 119.950 -0.206 0.000 2.375 273 F HA 0.421 4.951 4.527 0.005 0.000 0.361 273 F C -0.569 175.325 175.800 0.157 0.000 1.117 273 F CA -0.347 57.606 58.000 -0.080 0.000 1.037 273 F CB 1.184 40.182 39.000 -0.003 0.000 1.192 273 F HN 0.507 nan 8.300 nan 0.000 0.452 274 W N 2.951 124.389 121.300 0.231 0.000 2.496 274 W HA 0.490 5.153 4.660 0.005 0.000 0.327 274 W C -0.364 176.276 176.519 0.202 0.000 1.086 274 W CA -1.661 55.808 57.345 0.207 0.000 1.222 274 W CB 1.380 30.984 29.460 0.241 0.000 1.304 274 W HN 0.267 nan 8.180 nan 0.000 0.547 275 K N 3.759 124.383 120.400 0.372 0.000 2.414 275 K HA 0.282 4.605 4.320 0.005 0.000 0.251 275 K C -0.503 176.191 176.600 0.157 0.000 1.037 275 K CA -0.872 55.555 56.287 0.233 0.000 0.980 275 K CB 0.957 33.561 32.500 0.173 0.000 1.280 275 K HN -0.007 nan 8.250 nan 0.000 0.451 276 L N 1.734 123.049 121.223 0.153 0.000 2.417 276 L HA 0.173 4.516 4.340 0.005 0.000 0.268 276 L C 0.918 177.819 176.870 0.051 0.000 1.158 276 L CA 0.012 54.891 54.840 0.064 0.000 0.819 276 L CB 0.509 42.592 42.059 0.040 0.000 1.112 276 L HN 0.627 nan 8.230 nan 0.000 0.458 277 A N 5.680 128.512 122.820 0.020 0.000 3.063 277 A HA 0.481 4.804 4.320 0.005 0.000 0.263 277 A C 0.175 177.787 177.584 0.047 0.000 1.736 277 A CA -0.190 51.864 52.037 0.028 0.000 1.408 277 A CB -1.127 17.877 19.000 0.008 0.000 1.108 277 A HN 0.643 nan 8.150 nan 0.000 0.621 278 I N -3.215 117.396 120.570 0.068 0.000 3.264 278 I HA 0.804 4.977 4.170 0.005 0.000 0.315 278 I C -0.833 175.351 176.117 0.113 0.000 1.154 278 I CA -1.321 60.047 61.300 0.112 0.000 0.962 278 I CB 2.313 40.383 38.000 0.116 0.000 1.265 278 I HN 0.067 nan 8.210 nan 0.000 0.463 279 K N 2.111 122.606 120.400 0.158 0.000 2.523 279 K HA 0.556 4.879 4.320 0.005 0.000 0.257 279 K C -2.921 173.789 176.600 0.184 0.000 0.932 279 K CA -1.762 54.606 56.287 0.136 0.000 0.812 279 K CB 2.717 35.279 32.500 0.104 0.000 1.326 279 K HN 0.427 nan 8.250 nan 0.000 0.433 280 P HA 0.238 nan 4.420 nan 0.000 0.272 280 P C 0.073 177.431 177.300 0.097 0.000 1.223 280 P CA 0.528 63.697 63.100 0.116 0.000 0.784 280 P CB 0.982 32.754 31.700 0.120 0.000 0.923 281 G N 0.857 109.713 108.800 0.093 0.000 2.466 281 G HA2 -0.024 3.939 3.960 0.005 0.000 0.316 281 G HA3 -0.024 3.939 3.960 0.005 0.000 0.316 281 G C -0.229 174.727 174.900 0.094 0.000 1.270 281 G CA 0.360 45.515 45.100 0.092 0.000 0.982 281 G HN 0.791 nan 8.290 nan 0.000 0.506 282 K N -1.785 118.682 120.400 0.112 0.000 2.947 282 K HA 0.133 4.456 4.320 0.005 0.000 0.213 282 K C -2.631 174.086 176.600 0.194 0.000 2.404 282 K CA 0.614 56.979 56.287 0.130 0.000 1.481 282 K CB -0.220 32.349 32.500 0.115 0.000 2.676 282 K HN 0.548 nan 8.250 nan 0.000 0.516 283 P HA 0.306 nan 4.420 nan 0.000 0.284 283 P C -1.305 176.211 177.300 0.360 0.000 1.253 283 P CA 0.085 63.344 63.100 0.264 0.000 0.800 283 P CB 0.586 32.403 31.700 0.196 0.000 0.961 284 F N 1.535 121.610 119.950 0.210 0.000 2.672 284 F HA 0.629 5.159 4.527 0.004 0.000 0.311 284 F C -1.912 173.952 175.800 0.107 0.000 1.113 284 F CA -0.721 57.376 58.000 0.162 0.000 0.996 284 F CB 1.117 40.222 39.000 0.176 0.000 1.286 284 F HN 0.428 nan 8.300 nan 0.000 0.441 285 A N 5.150 127.383 122.820 -0.979 0.000 2.330 285 A HA 0.824 5.147 4.320 0.005 0.000 0.313 285 A C -2.255 174.674 177.584 -1.092 0.000 1.124 285 A CA -0.500 51.040 52.037 -0.828 0.000 0.774 285 A CB 0.921 19.759 19.000 -0.270 0.000 1.198 285 A HN 0.887 nan 8.150 nan 0.000 0.465 286 F N 1.670 120.980 119.950 -1.066 0.000 2.591 286 F HA 0.760 5.290 4.527 0.005 0.000 0.309 286 F C 0.104 175.629 175.800 -0.459 0.000 1.098 286 F CA 0.538 58.100 58.000 -0.730 0.000 0.937 286 F CB 2.181 40.783 39.000 -0.663 0.000 1.250 286 F HN 1.229 nan 8.300 nan 0.000 0.447 287 G N 3.972 112.106 108.800 -1.111 0.000 2.325 287 G HA2 0.244 4.207 3.960 0.005 0.000 0.297 287 G HA3 0.244 4.207 3.960 0.005 0.000 0.297 287 G C -2.327 172.366 174.900 -0.346 0.000 1.448 287 G CA -1.147 43.590 45.100 -0.605 0.000 0.838 287 G HN 0.669 nan 8.290 nan 0.000 0.579 288 K N 0.242 120.481 120.400 -0.269 0.000 2.172 288 K HA 0.646 4.969 4.320 0.005 0.000 0.276 288 K C 0.043 176.473 176.600 -0.284 0.000 1.013 288 K CA -0.475 55.565 56.287 -0.412 0.000 0.913 288 K CB 0.839 33.014 32.500 -0.541 0.000 1.055 288 K HN 0.391 nan 8.250 nan 0.000 0.461 289 L N 1.205 122.273 121.223 -0.259 0.000 2.544 289 L HA 0.236 4.579 4.340 0.005 0.000 0.256 289 L C 1.842 178.588 176.870 -0.206 0.000 1.097 289 L CA -0.567 54.160 54.840 -0.188 0.000 0.812 289 L CB 1.052 43.053 42.059 -0.096 0.000 1.440 289 L HN 0.697 nan 8.230 nan 0.000 0.496 290 S N 0.053 115.665 115.700 -0.146 0.000 2.372 290 S HA -0.175 4.298 4.470 0.005 0.000 0.227 290 S C 0.948 175.459 174.600 -0.148 0.000 1.044 290 S CA 1.756 59.878 58.200 -0.129 0.000 1.050 290 S CB -0.260 62.889 63.200 -0.085 0.000 0.901 290 S HN 0.645 nan 8.310 nan 0.000 0.447 291 N N 0.260 118.879 118.700 -0.134 0.000 2.232 291 N HA 0.173 4.916 4.740 0.005 0.000 0.240 291 N C -0.737 174.690 175.510 -0.138 0.000 1.307 291 N CA 0.237 53.213 53.050 -0.124 0.000 0.859 291 N CB 1.211 39.660 38.487 -0.063 0.000 1.260 291 N HN 0.435 nan 8.380 nan 0.000 0.501 292 S N -0.872 114.707 115.700 -0.202 0.000 2.636 292 S HA 0.534 5.006 4.470 0.005 0.000 0.268 292 S C -1.982 172.462 174.600 -0.259 0.000 1.159 292 S CA -0.918 57.193 58.200 -0.149 0.000 0.815 292 S CB 1.317 64.527 63.200 0.017 0.000 1.130 292 S HN 0.191 nan 8.310 nan 0.000 0.471 293 W N 0.801 122.102 121.300 0.002 0.000 2.551 293 W HA 0.706 5.369 4.660 0.004 0.000 0.330 293 W C -0.727 175.788 176.519 -0.007 0.000 1.063 293 W CA -0.611 56.691 57.345 -0.071 0.000 1.222 293 W CB 1.367 30.812 29.460 -0.026 0.000 1.349 293 W HN 0.621 nan 8.180 nan 0.000 0.536 294 F N 3.532 123.489 119.950 0.010 0.000 2.436 294 F HA 0.622 5.151 4.527 0.004 0.000 0.340 294 F C -0.678 175.088 175.800 -0.057 0.000 1.113 294 F CA -1.429 56.557 58.000 -0.022 0.000 1.022 294 F CB 0.581 39.544 39.000 -0.062 0.000 1.128 294 F HN 0.188 nan 8.300 nan 0.000 0.466 295 C N 4.738 123.528 119.300 -0.850 0.000 2.301 295 C HA 0.724 5.187 4.460 0.005 0.000 0.323 295 C C 0.543 174.777 174.990 -1.259 0.000 1.265 295 C CA -0.932 57.615 59.018 -0.786 0.000 1.503 295 C CB 0.392 28.051 27.740 -0.134 0.000 2.195 295 C HN 1.075 nan 8.230 nan 0.000 0.477 296 G N 3.867 111.931 108.800 -1.226 0.000 2.347 296 G HA2 0.592 4.555 3.960 0.005 0.000 0.314 296 G HA3 0.592 4.555 3.960 0.005 0.000 0.314 296 G C -0.642 174.149 174.900 -0.181 0.000 1.126 296 G CA -0.277 44.470 45.100 -0.588 0.000 0.929 296 G HN 0.715 nan 8.290 nan 0.000 0.441 297 L N 4.208 125.425 121.223 -0.010 0.000 2.325 297 L HA 0.437 4.780 4.340 0.005 0.000 0.279 297 L C -1.769 175.181 176.870 0.133 0.000 1.054 297 L CA -2.081 52.840 54.840 0.135 0.000 0.804 297 L CB 2.275 44.409 42.059 0.125 0.000 1.200 297 L HN 0.342 nan 8.230 nan 0.000 0.436 298 P HA 0.051 nan 4.420 nan 0.000 0.275 298 P C 0.515 177.882 177.300 0.113 0.000 1.228 298 P CA -0.240 62.945 63.100 0.141 0.000 0.786 298 P CB 1.135 32.928 31.700 0.155 0.000 0.927 299 G N 2.615 111.473 108.800 0.097 0.000 2.442 299 G HA2 -0.244 3.719 3.960 0.005 0.000 0.219 299 G HA3 -0.244 3.719 3.960 0.005 0.000 0.219 299 G C 0.779 175.728 174.900 0.082 0.000 1.141 299 G CA 0.326 45.476 45.100 0.083 0.000 0.763 299 G HN 0.650 nan 8.290 nan 0.000 0.554 300 N N 1.299 120.050 118.700 0.086 0.000 2.359 300 N HA 0.124 4.867 4.740 0.005 0.000 0.261 300 N C -1.300 174.271 175.510 0.102 0.000 1.267 300 N CA -0.927 52.175 53.050 0.086 0.000 0.864 300 N CB 1.374 39.912 38.487 0.085 0.000 1.063 300 N HN -0.059 nan 8.380 nan 0.000 0.474 301 P HA -0.124 nan 4.420 nan 0.000 0.215 301 P C 1.330 178.735 177.300 0.175 0.000 1.157 301 P CA 0.537 63.707 63.100 0.115 0.000 0.859 301 P CB 0.181 31.943 31.700 0.103 0.000 0.786 302 V N 0.127 120.161 119.914 0.200 0.000 2.380 302 V HA -0.264 3.859 4.120 0.005 0.000 0.251 302 V C 2.199 178.440 176.094 0.245 0.000 1.063 302 V CA 2.574 65.035 62.300 0.269 0.000 1.055 302 V CB -1.336 30.581 31.823 0.156 0.000 0.657 302 V HN 0.189 nan 8.190 nan 0.000 0.455 303 S N -0.173 115.627 115.700 0.167 0.000 2.425 303 S HA 0.057 4.530 4.470 0.005 0.000 0.225 303 S C 2.172 176.853 174.600 0.136 0.000 1.024 303 S CA 0.884 59.166 58.200 0.136 0.000 0.951 303 S CB -0.244 63.025 63.200 0.116 0.000 0.796 303 S HN 0.630 nan 8.310 nan 0.000 0.498 304 A N 1.927 124.830 122.820 0.139 0.000 1.902 304 A HA -0.108 4.215 4.320 0.005 0.000 0.217 304 A C 2.292 179.965 177.584 0.149 0.000 1.181 304 A CA 2.060 54.177 52.037 0.134 0.000 0.623 304 A CB -1.289 17.770 19.000 0.098 0.000 0.818 304 A HN 0.462 nan 8.150 nan 0.000 0.443 305 T N 0.029 114.671 114.554 0.147 0.000 2.857 305 T HA -0.008 4.345 4.350 0.005 0.000 0.266 305 T C 1.816 176.651 174.700 0.225 0.000 1.048 305 T CA 0.970 63.141 62.100 0.118 0.000 1.139 305 T CB -0.210 68.618 68.868 -0.068 0.000 0.874 305 T HN 0.298 nan 8.240 nan 0.000 0.455 306 L N 1.351 122.714 121.223 0.234 0.000 2.093 306 L HA -0.084 4.259 4.340 0.005 0.000 0.208 306 L C 2.152 178.994 176.870 -0.046 0.000 1.085 306 L CA 1.717 56.626 54.840 0.116 0.000 0.755 306 L CB -1.144 40.936 42.059 0.035 0.000 0.904 306 L HN 0.302 nan 8.230 nan 0.000 0.435 307 T N -0.509 114.043 114.554 -0.003 0.000 2.857 307 T HA -0.174 4.179 4.350 0.005 0.000 0.266 307 T C 1.550 176.209 174.700 -0.069 0.000 1.048 307 T CA 1.215 63.249 62.100 -0.111 0.000 1.139 307 T CB -0.409 68.434 68.868 -0.043 0.000 0.874 307 T HN 0.342 nan 8.240 nan 0.000 0.455 308 F N 0.907 120.840 119.950 -0.027 0.000 2.075 308 F HA -0.104 4.426 4.527 0.005 0.000 0.297 308 F C 2.182 177.978 175.800 -0.006 0.000 1.113 308 F CA 0.981 58.975 58.000 -0.010 0.000 1.218 308 F CB -0.493 38.517 39.000 0.017 0.000 0.984 308 F HN 0.089 nan 8.300 nan 0.000 0.472 309 Y N 0.872 121.223 120.300 0.085 0.000 2.165 309 Y HA -0.274 4.279 4.550 0.005 0.000 0.286 309 Y C 2.437 178.233 175.900 -0.173 0.000 1.155 309 Y CA 2.166 60.278 58.100 0.018 0.000 1.164 309 Y CB -0.307 38.282 38.460 0.215 0.000 0.978 309 Y HN 0.139 nan 8.280 nan 0.000 0.513 310 Q N -0.973 118.767 119.800 -0.100 0.000 2.354 310 Q HA 0.099 4.442 4.340 0.005 0.000 0.203 310 Q C 1.741 177.565 176.000 -0.293 0.000 0.933 310 Q CA 0.941 56.611 55.803 -0.222 0.000 0.901 310 Q CB 0.659 29.165 28.738 -0.387 0.000 1.007 310 Q HN 0.532 nan 8.270 nan 0.000 0.495 311 L N -2.025 118.980 121.223 -0.363 0.000 2.664 311 L HA 0.097 4.440 4.340 0.005 0.000 0.198 311 L C 2.004 178.641 176.870 -0.389 0.000 1.057 311 L CA 0.185 54.787 54.840 -0.397 0.000 0.871 311 L CB -0.176 41.546 42.059 -0.561 0.000 1.364 311 L HN -0.182 nan 8.230 nan 0.000 0.483 312 V N 0.379 120.027 119.914 -0.443 0.000 2.307 312 V HA -0.276 3.847 4.120 0.005 0.000 0.245 312 V C 2.370 178.112 176.094 -0.587 0.000 1.045 312 V CA 2.038 64.064 62.300 -0.456 0.000 1.024 312 V CB -0.532 31.006 31.823 -0.476 0.000 0.651 312 V HN 0.477 nan 8.190 nan 0.000 0.449 313 Q N 0.420 119.710 119.800 -0.850 0.000 2.012 313 Q HA -0.251 4.092 4.340 0.005 0.000 0.211 313 Q C -0.050 175.735 176.000 -0.358 0.000 1.009 313 Q CA 3.072 58.511 55.803 -0.606 0.000 0.866 313 Q CB -1.230 27.135 28.738 -0.621 0.000 0.945 313 Q HN 0.481 nan 8.270 nan 0.000 0.414 314 P HA -0.204 nan 4.420 nan 0.000 0.216 314 P C 1.438 178.609 177.300 -0.214 0.000 1.154 314 P CA 1.164 64.122 63.100 -0.237 0.000 0.865 314 P CB -0.287 31.275 31.700 -0.229 0.000 0.789 315 L N -1.008 120.069 121.223 -0.244 0.000 2.046 315 L HA -0.140 4.203 4.340 0.005 0.000 0.208 315 L C 2.298 179.072 176.870 -0.159 0.000 1.077 315 L CA 1.776 56.483 54.840 -0.222 0.000 0.747 315 L CB -1.519 40.395 42.059 -0.241 0.000 0.896 315 L HN -0.150 nan 8.230 nan 0.000 0.432 316 L N -0.277 120.855 121.223 -0.153 0.000 2.046 316 L HA -0.173 4.170 4.340 0.005 0.000 0.208 316 L C 2.773 179.595 176.870 -0.080 0.000 1.077 316 L CA 1.267 56.052 54.840 -0.091 0.000 0.747 316 L CB -1.154 40.853 42.059 -0.087 0.000 0.896 316 L HN 0.392 nan 8.230 nan 0.000 0.432 317 A N 0.323 123.077 122.820 -0.109 0.000 1.903 317 A HA -0.335 3.988 4.320 0.005 0.000 0.219 317 A C 2.403 179.944 177.584 -0.071 0.000 1.191 317 A CA 2.547 54.530 52.037 -0.090 0.000 0.638 317 A CB -0.570 18.365 19.000 -0.109 0.000 0.823 317 A HN 0.394 nan 8.150 nan 0.000 0.451 318 K N -0.771 119.580 120.400 -0.082 0.000 2.031 318 K HA 0.067 4.390 4.320 0.005 0.000 0.205 318 K C 1.936 178.516 176.600 -0.033 0.000 1.049 318 K CA 0.951 57.200 56.287 -0.064 0.000 0.939 318 K CB -0.265 32.183 32.500 -0.086 0.000 0.717 318 K HN 0.402 nan 8.250 nan 0.000 0.438 319 L N 1.489 122.694 121.223 -0.030 0.000 2.187 319 L HA -0.155 4.187 4.340 0.005 0.000 0.213 319 L C 2.132 179.015 176.870 0.022 0.000 1.100 319 L CA 1.966 56.817 54.840 0.018 0.000 0.765 319 L CB -0.481 41.598 42.059 0.034 0.000 0.904 319 L HN 0.428 nan 8.230 nan 0.000 0.437 320 S N -1.687 114.012 115.700 -0.002 0.000 2.436 320 S HA 0.031 4.504 4.470 0.005 0.000 0.228 320 S C 1.564 176.162 174.600 -0.003 0.000 1.014 320 S CA 0.806 59.005 58.200 -0.002 0.000 0.950 320 S CB 0.458 63.646 63.200 -0.019 0.000 0.784 320 S HN 0.575 nan 8.310 nan 0.000 0.504 321 G N 1.361 110.157 108.800 -0.006 0.000 2.307 321 G HA2 -0.229 3.734 3.960 0.005 0.000 0.210 321 G HA3 -0.229 3.734 3.960 0.005 0.000 0.210 321 G C -0.022 174.867 174.900 -0.018 0.000 1.005 321 G CA -0.129 44.967 45.100 -0.007 0.000 0.634 321 G HN 0.583 nan 8.290 nan 0.000 0.496 322 N N 2.286 120.968 118.700 -0.029 0.000 2.429 322 N HA 0.249 4.992 4.740 0.005 0.000 0.271 322 N C 1.738 177.228 175.510 -0.034 0.000 1.272 322 N CA 1.095 54.122 53.050 -0.038 0.000 0.921 322 N CB 0.942 39.399 38.487 -0.051 0.000 1.128 322 N HN 0.542 nan 8.380 nan 0.000 0.481 323 T N 0.338 114.877 114.554 -0.026 0.000 3.160 323 T HA 0.130 4.483 4.350 0.005 0.000 0.257 323 T C 0.747 175.433 174.700 -0.024 0.000 1.147 323 T CA -0.085 62.003 62.100 -0.020 0.000 1.064 323 T CB -0.120 68.743 68.868 -0.010 0.000 0.949 323 T HN 0.460 nan 8.240 nan 0.000 0.526 324 A N 1.675 124.477 122.820 -0.030 0.000 2.457 324 A HA 0.519 4.842 4.320 0.005 0.000 0.298 324 A C 0.590 178.153 177.584 -0.036 0.000 1.288 324 A CA -0.534 51.485 52.037 -0.030 0.000 0.956 324 A CB -0.276 18.703 19.000 -0.034 0.000 1.135 324 A HN 0.356 nan 8.150 nan 0.000 0.535 325 S N 2.125 117.806 115.700 -0.032 0.000 2.506 325 S HA 0.349 4.822 4.470 0.005 0.000 0.291 325 S C 0.833 175.409 174.600 -0.039 0.000 1.230 325 S CA 0.589 58.766 58.200 -0.038 0.000 1.107 325 S CB 0.294 63.475 63.200 -0.032 0.000 0.942 325 S HN 1.018 nan 8.310 nan 0.000 0.502 326 G N 3.517 112.286 108.800 -0.051 0.000 4.138 326 G HA2 0.480 4.442 3.960 0.005 0.000 0.335 326 G HA3 0.480 4.442 3.960 0.005 0.000 0.335 326 G C -0.707 174.157 174.900 -0.061 0.000 1.517 326 G CA -0.542 44.527 45.100 -0.051 0.000 0.960 326 G HN 0.568 nan 8.290 nan 0.000 0.493 327 L N 3.191 124.388 121.223 -0.043 0.000 2.389 327 L HA 0.317 4.660 4.340 0.005 0.000 0.265 327 L C -1.556 175.320 176.870 0.009 0.000 1.167 327 L CA -1.193 53.629 54.840 -0.029 0.000 1.045 327 L CB 0.051 42.097 42.059 -0.022 0.000 1.351 327 L HN 0.230 nan 8.230 nan 0.000 0.419 328 P HA -0.133 nan 4.420 nan 0.000 0.275 328 P C 0.014 177.371 177.300 0.095 0.000 1.195 328 P CA 0.189 63.329 63.100 0.066 0.000 0.779 328 P CB 0.424 32.187 31.700 0.104 0.000 0.793 329 A N 2.528 125.405 122.820 0.096 0.000 2.327 329 A HA 0.507 4.830 4.320 0.005 0.000 0.255 329 A C 0.256 177.900 177.584 0.100 0.000 1.099 329 A CA 0.074 52.159 52.037 0.080 0.000 0.801 329 A CB 0.316 19.355 19.000 0.065 0.000 1.062 329 A HN 0.568 nan 8.150 nan 0.000 0.496 330 R N 0.123 120.666 120.500 0.071 0.000 2.518 330 R HA 0.274 4.617 4.340 0.005 0.000 0.287 330 R C -1.301 175.024 176.300 0.042 0.000 1.135 330 R CA -0.350 55.791 56.100 0.068 0.000 0.967 330 R CB 1.856 32.191 30.300 0.058 0.000 1.212 330 R HN 0.955 nan 8.270 nan 0.000 0.422 331 Q N 2.716 122.544 119.800 0.046 0.000 2.345 331 Q HA 0.473 4.816 4.340 0.005 0.000 0.268 331 Q C -0.876 175.154 176.000 0.050 0.000 1.054 331 Q CA -1.115 54.709 55.803 0.034 0.000 0.835 331 Q CB 2.779 31.539 28.738 0.038 0.000 1.339 331 Q HN 0.360 nan 8.270 nan 0.000 0.447 332 R N 1.784 122.303 120.500 0.033 0.000 2.205 332 R HA 0.479 4.822 4.340 0.005 0.000 0.342 332 R C -1.393 175.056 176.300 0.249 0.000 1.058 332 R CA -0.085 56.059 56.100 0.073 0.000 0.904 332 R CB 0.561 30.812 30.300 -0.080 0.000 1.089 332 R HN 0.543 nan 8.270 nan 0.000 0.471 333 V N 3.995 124.142 119.914 0.388 0.000 3.102 333 V HA 0.500 4.623 4.120 0.005 0.000 0.312 333 V C -0.022 176.208 176.094 0.228 0.000 1.135 333 V CA -1.149 61.397 62.300 0.409 0.000 1.022 333 V CB 2.268 34.192 31.823 0.167 0.000 1.056 333 V HN 0.726 nan 8.190 nan 0.000 0.436 334 R N 0.793 121.227 120.500 -0.109 0.000 2.441 334 R HA 0.512 4.855 4.340 0.005 0.000 0.284 334 R C -0.251 175.935 176.300 -0.191 0.000 1.070 334 R CA -0.317 55.545 56.100 -0.397 0.000 1.047 334 R CB 1.049 31.013 30.300 -0.560 0.000 1.016 334 R HN 0.875 nan 8.270 nan 0.000 0.477 335 T N 0.301 114.743 114.554 -0.187 0.000 2.869 335 T HA 0.235 4.587 4.350 0.005 0.000 0.295 335 T C 0.966 175.596 174.700 -0.117 0.000 0.987 335 T CA -0.668 61.361 62.100 -0.119 0.000 1.109 335 T CB 1.710 70.519 68.868 -0.099 0.000 0.932 335 T HN 0.684 nan 8.240 nan 0.000 0.518 336 A N 2.557 125.326 122.820 -0.086 0.000 2.238 336 A HA 0.405 4.728 4.320 0.005 0.000 0.210 336 A C 0.980 178.528 177.584 -0.059 0.000 1.179 336 A CA -0.264 51.730 52.037 -0.072 0.000 0.827 336 A CB 0.102 19.066 19.000 -0.059 0.000 0.856 336 A HN 0.692 nan 8.150 nan 0.000 0.488 337 S N -0.060 115.606 115.700 -0.057 0.000 2.513 337 S HA 0.520 4.992 4.470 0.005 0.000 0.299 337 S C -0.212 174.363 174.600 -0.042 0.000 1.087 337 S CA -0.820 57.354 58.200 -0.043 0.000 1.012 337 S CB 1.498 64.676 63.200 -0.036 0.000 1.044 337 S HN 0.483 nan 8.310 nan 0.000 0.485 338 R N 1.012 121.492 120.500 -0.033 0.000 2.758 338 R HA 0.254 4.597 4.340 0.005 0.000 0.263 338 R C -0.870 175.419 176.300 -0.019 0.000 1.010 338 R CA 0.441 56.525 56.100 -0.026 0.000 1.114 338 R CB 0.043 30.333 30.300 -0.018 0.000 0.985 338 R HN 0.493 nan 8.270 nan 0.000 0.439 339 L N 2.460 123.673 121.223 -0.016 0.000 2.438 339 L HA 0.376 4.719 4.340 0.005 0.000 0.270 339 L C -0.688 176.182 176.870 -0.000 0.000 0.972 339 L CA -0.893 53.941 54.840 -0.009 0.000 0.831 339 L CB 2.207 44.254 42.059 -0.019 0.000 1.273 339 L HN 0.414 nan 8.230 nan 0.000 0.405 340 K N 2.716 123.125 120.400 0.014 0.000 2.249 340 K HA 0.535 4.858 4.320 0.005 0.000 0.280 340 K C -0.566 176.045 176.600 0.018 0.000 1.033 340 K CA -0.376 55.923 56.287 0.020 0.000 0.946 340 K CB 1.001 33.522 32.500 0.035 0.000 1.005 340 K HN 0.277 nan 8.250 nan 0.000 0.469 341 K N 1.038 121.446 120.400 0.013 0.000 2.580 341 K HA 0.210 4.533 4.320 0.005 0.000 0.258 341 K C -1.725 174.880 176.600 0.008 0.000 0.936 341 K CA -0.309 55.984 56.287 0.009 0.000 0.852 341 K CB 1.484 33.981 32.500 -0.004 0.000 1.329 341 K HN 0.463 nan 8.250 nan 0.000 0.430 342 T N 5.873 120.434 114.554 0.012 0.000 2.771 342 T HA 0.469 4.821 4.350 0.005 0.000 0.281 342 T C -2.567 172.137 174.700 0.007 0.000 0.982 342 T CA -1.485 60.622 62.100 0.011 0.000 0.978 342 T CB 1.314 70.193 68.868 0.018 0.000 0.930 342 T HN 0.413 nan 8.240 nan 0.000 0.447 343 P HA 0.172 nan 4.420 nan 0.000 0.266 343 P C 1.158 178.460 177.300 0.004 0.000 1.186 343 P CA 1.090 64.191 63.100 0.001 0.000 0.767 343 P CB 0.274 31.974 31.700 0.001 0.000 0.820 344 G N 1.298 110.099 108.800 0.001 0.000 2.254 344 G HA2 -0.197 3.766 3.960 0.005 0.000 0.225 344 G HA3 -0.197 3.766 3.960 0.005 0.000 0.225 344 G C 0.200 175.104 174.900 0.008 0.000 1.003 344 G CA -0.371 44.732 45.100 0.004 0.000 0.622 344 G HN 0.593 nan 8.290 nan 0.000 0.507 345 R N -0.423 120.083 120.500 0.010 0.000 2.740 345 R HA 0.631 4.974 4.340 0.005 0.000 0.282 345 R C -0.992 175.312 176.300 0.007 0.000 0.969 345 R CA -0.935 55.176 56.100 0.019 0.000 0.918 345 R CB 2.093 32.414 30.300 0.035 0.000 1.175 345 R HN 0.291 nan 8.270 nan 0.000 0.464 346 L N 2.431 123.662 121.223 0.014 0.000 2.268 346 L HA 0.253 4.596 4.340 0.005 0.000 0.289 346 L C -0.674 176.188 176.870 -0.013 0.000 1.064 346 L CA 0.014 54.837 54.840 -0.029 0.000 0.824 346 L CB 0.630 42.678 42.059 -0.019 0.000 1.202 346 L HN 0.377 nan 8.230 nan 0.000 0.433 347 D N 4.719 125.070 120.400 -0.081 0.000 2.317 347 D HA 0.175 4.818 4.640 0.005 0.000 0.234 347 D C -0.975 175.242 176.300 -0.137 0.000 1.112 347 D CA -0.100 53.886 54.000 -0.023 0.000 0.840 347 D CB 0.472 41.264 40.800 -0.013 0.000 1.078 347 D HN 0.345 nan 8.370 nan 0.000 0.486 348 F N 3.187 123.120 119.950 -0.028 0.000 2.462 348 F HA 0.220 4.749 4.527 0.005 0.000 0.354 348 F C 1.263 177.100 175.800 0.062 0.000 1.192 348 F CA -0.378 57.615 58.000 -0.012 0.000 1.173 348 F CB 0.433 39.337 39.000 -0.159 0.000 1.402 348 F HN 0.133 nan 8.300 nan 0.000 0.595 349 Q N 1.423 121.297 119.800 0.124 0.000 2.199 349 Q HA 0.783 5.126 4.340 0.005 0.000 0.232 349 Q C -0.276 175.772 176.000 0.080 0.000 0.969 349 Q CA -0.886 54.934 55.803 0.027 0.000 0.925 349 Q CB 1.613 30.319 28.738 -0.053 0.000 1.198 349 Q HN 0.666 nan 8.270 nan 0.000 0.494 350 A N -0.319 122.451 122.820 -0.084 0.000 2.322 350 A HA 0.937 5.260 4.320 0.005 0.000 0.327 350 A C -0.323 177.175 177.584 -0.142 0.000 1.134 350 A CA 0.176 52.143 52.037 -0.116 0.000 0.831 350 A CB 1.577 20.444 19.000 -0.222 0.000 1.288 350 A HN 0.733 nan 8.150 nan 0.000 0.472 351 G N -1.719 106.973 108.800 -0.180 0.000 2.490 351 G HA2 0.540 4.503 3.960 0.005 0.000 0.308 351 G HA3 0.540 4.503 3.960 0.005 0.000 0.308 351 G C -1.875 172.911 174.900 -0.191 0.000 1.286 351 G CA 0.067 45.077 45.100 -0.150 0.000 0.825 351 G HN 1.363 nan 8.290 nan 0.000 0.479 352 V N 0.790 120.621 119.914 -0.137 0.000 2.385 352 V HA 0.441 4.564 4.120 0.005 0.000 0.277 352 V C -0.636 175.399 176.094 -0.099 0.000 1.012 352 V CA -0.541 61.683 62.300 -0.126 0.000 0.832 352 V CB 1.014 32.785 31.823 -0.088 0.000 1.028 352 V HN 0.639 nan 8.190 nan 0.000 0.436 353 L N 5.496 126.652 121.223 -0.112 0.000 2.319 353 L HA 0.631 4.974 4.340 0.005 0.000 0.280 353 L C 0.086 176.924 176.870 -0.053 0.000 1.099 353 L CA 0.626 55.422 54.840 -0.073 0.000 0.828 353 L CB 0.844 42.857 42.059 -0.075 0.000 1.150 353 L HN 0.931 nan 8.230 nan 0.000 0.442 354 Q N 4.030 123.810 119.800 -0.033 0.000 2.503 354 Q HA 0.431 4.774 4.340 0.005 0.000 0.268 354 Q C -0.930 175.062 176.000 -0.013 0.000 0.982 354 Q CA -0.943 54.846 55.803 -0.023 0.000 0.907 354 Q CB 0.963 29.685 28.738 -0.027 0.000 1.467 354 Q HN 0.438 nan 8.270 nan 0.000 0.394 355 R N 1.892 122.389 120.500 -0.006 0.000 2.538 355 R HA 0.053 4.396 4.340 0.005 0.000 0.282 355 R C 0.129 176.426 176.300 -0.005 0.000 1.009 355 R CA 0.451 56.551 56.100 -0.001 0.000 1.063 355 R CB 0.278 30.579 30.300 0.003 0.000 0.945 355 R HN 0.774 nan 8.270 nan 0.000 0.414 356 N N 2.077 120.774 118.700 -0.005 0.000 2.495 356 N HA 0.135 4.878 4.740 0.005 0.000 0.294 356 N C 0.724 176.231 175.510 -0.004 0.000 1.276 356 N CA 0.027 53.071 53.050 -0.009 0.000 0.973 356 N CB 0.043 38.522 38.487 -0.014 0.000 1.143 356 N HN 0.398 nan 8.380 nan 0.000 0.589 357 A N -0.539 122.277 122.820 -0.006 0.000 1.927 357 A HA -0.224 4.099 4.320 0.005 0.000 0.220 357 A C 1.166 178.750 177.584 0.001 0.000 1.185 357 A CA 2.068 54.103 52.037 -0.003 0.000 0.639 357 A CB -0.825 18.172 19.000 -0.005 0.000 0.820 357 A HN 0.765 nan 8.150 nan 0.000 0.451 358 D N -2.282 118.120 120.400 0.003 0.000 2.339 358 D HA 0.281 4.924 4.640 0.005 0.000 0.217 358 D C 1.451 177.759 176.300 0.012 0.000 1.050 358 D CA 1.049 55.054 54.000 0.008 0.000 0.856 358 D CB 0.330 41.136 40.800 0.010 0.000 0.922 358 D HN 0.653 nan 8.370 nan 0.000 0.518 359 G N 1.427 110.234 108.800 0.011 0.000 2.268 359 G HA2 -0.282 3.681 3.960 0.005 0.000 0.240 359 G HA3 -0.282 3.681 3.960 0.005 0.000 0.240 359 G C 0.186 175.098 174.900 0.020 0.000 1.010 359 G CA -0.227 44.881 45.100 0.014 0.000 0.618 359 G HN 0.350 nan 8.290 nan 0.000 0.516 360 E N 1.032 121.248 120.200 0.026 0.000 2.324 360 E HA 0.490 4.843 4.350 0.005 0.000 0.271 360 E C 0.530 177.151 176.600 0.036 0.000 1.028 360 E CA -0.573 55.851 56.400 0.041 0.000 0.890 360 E CB 0.826 30.561 29.700 0.058 0.000 1.004 360 E HN 0.249 nan 8.360 nan 0.000 0.431 361 L N 3.375 124.625 121.223 0.044 0.000 2.483 361 L HA 0.065 4.408 4.340 0.005 0.000 0.275 361 L C 0.662 177.547 176.870 0.025 0.000 1.220 361 L CA 0.773 55.632 54.840 0.032 0.000 0.833 361 L CB -0.015 42.066 42.059 0.038 0.000 1.102 361 L HN 0.658 nan 8.230 nan 0.000 0.490 362 E N 0.434 120.634 120.200 -0.001 0.000 2.449 362 E HA 0.733 5.086 4.350 0.005 0.000 0.278 362 E C -1.904 174.677 176.600 -0.032 0.000 0.992 362 E CA -0.948 55.437 56.400 -0.025 0.000 0.807 362 E CB 1.935 31.609 29.700 -0.044 0.000 1.350 362 E HN 0.141 nan 8.360 nan 0.000 0.462 363 V N 0.815 120.702 119.914 -0.046 0.000 2.525 363 V HA 0.442 4.565 4.120 0.005 0.000 0.299 363 V C -0.464 175.595 176.094 -0.057 0.000 1.034 363 V CA -0.721 61.548 62.300 -0.051 0.000 0.863 363 V CB 1.423 33.218 31.823 -0.046 0.000 0.999 363 V HN 0.779 nan 8.190 nan 0.000 0.423 364 T N 2.335 116.855 114.554 -0.058 0.000 2.929 364 T HA 0.420 4.773 4.350 0.005 0.000 0.284 364 T C 0.289 174.955 174.700 -0.057 0.000 1.014 364 T CA -0.208 61.860 62.100 -0.052 0.000 1.051 364 T CB 1.804 70.645 68.868 -0.044 0.000 1.028 364 T HN 0.790 nan 8.240 nan 0.000 0.485 365 T N 0.614 115.140 114.554 -0.046 0.000 2.813 365 T HA 0.079 4.432 4.350 0.005 0.000 0.297 365 T C 1.535 176.212 174.700 -0.040 0.000 1.036 365 T CA -0.011 62.062 62.100 -0.045 0.000 1.044 365 T CB 0.385 69.238 68.868 -0.024 0.000 0.993 365 T HN 0.600 nan 8.240 nan 0.000 0.535 366 T N 2.691 117.219 114.554 -0.042 0.000 3.155 366 T HA 0.292 4.645 4.350 0.005 0.000 0.264 366 T C 0.860 175.566 174.700 0.010 0.000 1.160 366 T CA 0.951 63.036 62.100 -0.025 0.000 1.075 366 T CB -1.119 67.729 68.868 -0.033 0.000 0.921 366 T HN 1.164 nan 8.240 nan 0.000 0.533 367 G N 0.510 109.323 108.800 0.020 0.000 2.819 367 G HA2 -0.190 3.773 3.960 0.005 0.000 0.682 367 G HA3 -0.190 3.773 3.960 0.005 0.000 0.682 367 G C -0.738 174.244 174.900 0.136 0.000 1.481 367 G CA -0.608 44.523 45.100 0.052 0.000 0.904 367 G HN 0.598 nan 8.290 nan 0.000 0.563 368 H N 1.133 120.204 119.070 0.001 0.000 2.966 368 H HA 0.453 5.012 4.556 0.005 0.000 0.347 368 H C 0.414 175.759 175.328 0.028 0.000 1.048 368 H CA -0.500 55.558 56.048 0.017 0.000 1.295 368 H CB 1.500 31.271 29.762 0.015 0.000 1.744 368 H HN 0.645 nan 8.280 nan 0.000 0.513 369 Q N 2.486 122.176 119.800 -0.182 0.000 3.079 369 Q HA 0.371 4.714 4.340 0.005 0.000 0.210 369 Q C 0.675 176.497 176.000 -0.296 0.000 1.169 369 Q CA -0.176 55.537 55.803 -0.150 0.000 0.315 369 Q CB 0.035 28.759 28.738 -0.024 0.000 5.815 369 Q HN 0.580 nan 8.270 nan 0.000 0.311 370 G N 0.548 109.335 108.800 -0.022 0.000 2.537 370 G HA2 0.389 4.352 3.960 0.005 0.000 0.273 370 G HA3 0.389 4.352 3.960 0.005 0.000 0.273 370 G C -0.392 174.469 174.900 -0.064 0.000 1.189 370 G CA -0.182 44.867 45.100 -0.085 0.000 0.881 370 G HN 0.367 nan 8.290 nan 0.000 0.535 371 S N 0.146 115.785 115.700 -0.101 0.000 2.537 371 S HA 0.272 4.745 4.470 0.005 0.000 0.286 371 S C -0.278 174.271 174.600 -0.086 0.000 1.299 371 S CA 0.062 58.291 58.200 0.048 0.000 1.067 371 S CB 0.131 63.353 63.200 0.037 0.000 0.864 371 S HN 0.682 nan 8.310 nan 0.000 0.494 372 H N 2.420 121.614 119.070 0.206 0.000 3.153 372 H HA 0.215 4.773 4.556 0.004 0.000 0.323 372 H C 0.530 175.958 175.328 0.167 0.000 1.096 372 H CA -0.519 55.722 56.048 0.322 0.000 1.385 372 H CB 0.872 30.920 29.762 0.478 0.000 2.027 372 H HN 0.659 nan 8.280 nan 0.000 0.499 373 I N 1.465 122.106 120.570 0.119 0.000 2.567 373 I HA -0.218 3.955 4.170 0.005 0.000 0.257 373 I C 1.562 177.609 176.117 -0.117 0.000 1.184 373 I CA 1.238 62.521 61.300 -0.028 0.000 1.451 373 I CB -0.311 37.588 38.000 -0.168 0.000 1.089 373 I HN 0.220 nan 8.210 nan 0.000 0.441 374 F N 1.454 121.480 119.950 0.126 0.000 2.059 374 F HA -0.143 4.386 4.527 0.004 0.000 0.289 374 F C 3.042 178.850 175.800 0.013 0.000 1.128 374 F CA 1.101 59.132 58.000 0.051 0.000 1.181 374 F CB -1.688 37.298 39.000 -0.024 0.000 1.012 374 F HN 0.058 nan 8.300 nan 0.000 0.473 375 S N 0.593 116.489 115.700 0.327 0.000 2.372 375 S HA -0.267 4.206 4.470 0.005 0.000 0.227 375 S C 2.126 176.726 174.600 -0.000 0.000 1.044 375 S CA 1.866 60.172 58.200 0.177 0.000 1.050 375 S CB -1.384 61.995 63.200 0.299 0.000 0.901 375 S HN 0.523 nan 8.310 nan 0.000 0.447 376 S N 1.900 117.512 115.700 -0.147 0.000 2.326 376 S HA 0.168 4.641 4.470 0.005 0.000 0.211 376 S C 0.474 174.677 174.600 -0.663 0.000 1.031 376 S CA 0.105 57.953 58.200 -0.587 0.000 0.985 376 S CB -1.056 61.519 63.200 -1.041 0.000 0.961 376 S HN 0.514 nan 8.310 nan 0.000 0.436 377 F N 1.860 121.713 119.950 -0.161 0.000 2.425 377 F HA 0.646 5.175 4.527 0.004 0.000 0.331 377 F C 1.540 177.306 175.800 -0.056 0.000 1.085 377 F CA -0.040 57.804 58.000 -0.261 0.000 1.028 377 F CB 1.672 40.272 39.000 -0.668 0.000 1.177 377 F HN 0.522 nan 8.300 nan 0.000 0.487 378 S N 0.408 116.223 115.700 0.192 0.000 2.261 378 S HA -0.221 4.252 4.470 0.005 0.000 0.247 378 S C 0.377 175.038 174.600 0.103 0.000 1.195 378 S CA 1.111 59.400 58.200 0.148 0.000 1.464 378 S CB -1.566 61.712 63.200 0.131 0.000 1.835 378 S HN 0.667 nan 8.310 nan 0.000 0.598 379 L N 1.219 122.486 121.223 0.073 0.000 2.349 379 L HA 0.427 4.770 4.340 0.005 0.000 0.200 379 L C 1.816 178.675 176.870 -0.017 0.000 1.064 379 L CA 0.537 55.397 54.840 0.033 0.000 0.821 379 L CB -0.709 41.370 42.059 0.034 0.000 1.027 379 L HN 0.532 nan 8.230 nan 0.000 0.476 380 G N 0.863 109.635 108.800 -0.047 0.000 2.442 380 G HA2 0.021 3.984 3.960 0.005 0.000 0.249 380 G HA3 0.021 3.984 3.960 0.005 0.000 0.249 380 G C 0.452 175.199 174.900 -0.254 0.000 1.263 380 G CA -0.247 44.746 45.100 -0.178 0.000 0.846 380 G HN 0.396 nan 8.290 nan 0.000 0.555 381 N N -0.278 118.142 118.700 -0.467 0.000 2.214 381 N HA 0.066 4.809 4.740 0.005 0.000 0.214 381 N C 0.170 174.984 175.510 -1.159 0.000 1.132 381 N CA 0.213 52.925 53.050 -0.563 0.000 0.856 381 N CB -0.451 37.905 38.487 -0.218 0.000 1.020 381 N HN 0.697 nan 8.380 nan 0.000 0.509 382 C N -2.754 115.550 119.300 -1.660 0.000 3.292 382 C HA 0.609 5.072 4.460 0.005 0.000 0.338 382 C C -1.273 173.256 174.990 -0.769 0.000 1.323 382 C CA -1.680 56.589 59.018 -1.249 0.000 1.232 382 C CB -0.013 27.466 27.740 -0.434 0.000 1.517 382 C HN 0.046 nan 8.230 nan 0.000 0.470 383 F N 1.486 121.373 119.950 -0.105 0.000 2.405 383 F HA 0.608 5.138 4.527 0.005 0.000 0.355 383 F C 0.583 176.389 175.800 0.010 0.000 1.121 383 F CA -0.562 57.510 58.000 0.120 0.000 1.112 383 F CB 1.138 40.343 39.000 0.342 0.000 1.126 383 F HN 0.409 nan 8.300 nan 0.000 0.481 384 I N 5.507 126.179 120.570 0.170 0.000 2.281 384 I HA 0.142 4.315 4.170 0.005 0.000 0.293 384 I C -0.698 175.395 176.117 -0.041 0.000 1.085 384 I CA -0.448 60.874 61.300 0.037 0.000 1.257 384 I CB 0.388 38.380 38.000 -0.014 0.000 1.430 384 I HN 0.180 nan 8.210 nan 0.000 0.489 385 V N 7.802 127.639 119.914 -0.129 0.000 2.348 385 V HA 0.321 4.444 4.120 0.005 0.000 0.270 385 V C 0.275 176.197 176.094 -0.287 0.000 1.037 385 V CA -0.416 61.640 62.300 -0.407 0.000 0.872 385 V CB 0.930 32.467 31.823 -0.478 0.000 1.002 385 V HN 0.496 nan 8.190 nan 0.000 0.464 386 L N 3.768 124.820 121.223 -0.285 0.000 2.317 386 L HA 0.508 4.850 4.340 0.005 0.000 0.281 386 L C 0.296 177.072 176.870 -0.158 0.000 1.024 386 L CA -0.838 53.906 54.840 -0.161 0.000 0.810 386 L CB 2.017 44.014 42.059 -0.103 0.000 1.240 386 L HN 0.595 nan 8.230 nan 0.000 0.427 387 E N 1.986 122.125 120.200 -0.102 0.000 2.480 387 E HA -0.063 4.290 4.350 0.005 0.000 0.258 387 E C 0.957 177.520 176.600 -0.061 0.000 0.984 387 E CA 0.215 56.568 56.400 -0.079 0.000 0.930 387 E CB 0.474 30.145 29.700 -0.048 0.000 0.936 387 E HN 0.340 nan 8.360 nan 0.000 0.466 388 R N 2.848 123.314 120.500 -0.057 0.000 2.190 388 R HA -0.294 4.049 4.340 0.005 0.000 0.255 388 R C 0.512 176.799 176.300 -0.023 0.000 1.143 388 R CA 2.232 58.312 56.100 -0.033 0.000 0.965 388 R CB 0.022 30.306 30.300 -0.027 0.000 0.889 388 R HN 0.527 nan 8.270 nan 0.000 0.448 389 D N -0.496 119.890 120.400 -0.022 0.000 2.349 389 D HA -0.002 4.641 4.640 0.005 0.000 0.224 389 D C 0.320 176.613 176.300 -0.012 0.000 1.029 389 D CA 0.378 54.369 54.000 -0.015 0.000 0.879 389 D CB -0.004 40.788 40.800 -0.014 0.000 0.906 389 D HN 0.176 nan 8.370 nan 0.000 0.528 390 R N -0.370 120.120 120.500 -0.016 0.000 2.500 390 R HA 0.514 4.857 4.340 0.005 0.000 0.277 390 R C 0.797 177.091 176.300 -0.010 0.000 1.026 390 R CA -0.375 55.717 56.100 -0.013 0.000 1.058 390 R CB 1.081 31.370 30.300 -0.018 0.000 1.078 390 R HN 0.059 nan 8.270 nan 0.000 0.509 391 G N 1.297 110.093 108.800 -0.007 0.000 3.227 391 G HA2 0.122 4.085 3.960 0.005 0.000 0.171 391 G HA3 0.122 4.085 3.960 0.005 0.000 0.171 391 G C -0.621 174.276 174.900 -0.006 0.000 1.463 391 G CA -0.522 44.575 45.100 -0.005 0.000 1.016 391 G HN 0.590 nan 8.290 nan 0.000 0.594 392 N N -0.029 118.668 118.700 -0.005 0.000 2.518 392 N HA 0.388 5.131 4.740 0.005 0.000 0.283 392 N C -0.747 174.755 175.510 -0.013 0.000 1.119 392 N CA -0.065 52.980 53.050 -0.007 0.000 0.983 392 N CB 2.166 40.650 38.487 -0.005 0.000 1.139 392 N HN 0.080 nan 8.380 nan 0.000 0.465 393 V N 1.821 121.724 119.914 -0.018 0.000 2.417 393 V HA 0.258 4.381 4.120 0.005 0.000 0.291 393 V C 0.403 176.477 176.094 -0.033 0.000 1.024 393 V CA -0.829 61.455 62.300 -0.027 0.000 0.861 393 V CB 1.648 33.452 31.823 -0.031 0.000 0.985 393 V HN 0.500 nan 8.190 nan 0.000 0.436 394 E N 2.187 122.363 120.200 -0.039 0.000 2.359 394 E HA 0.417 4.770 4.350 0.005 0.000 0.255 394 E C -0.346 176.214 176.600 -0.067 0.000 1.191 394 E CA -0.735 55.638 56.400 -0.046 0.000 0.952 394 E CB 1.571 31.247 29.700 -0.041 0.000 1.152 394 E HN 0.361 nan 8.360 nan 0.000 0.496 395 V N 0.783 120.655 119.914 -0.070 0.000 2.529 395 V HA 0.256 4.379 4.120 0.005 0.000 0.292 395 V C 1.070 177.087 176.094 -0.128 0.000 1.028 395 V CA 1.281 63.526 62.300 -0.091 0.000 1.074 395 V CB 0.100 31.878 31.823 -0.075 0.000 0.958 395 V HN 0.889 nan 8.190 nan 0.000 0.481 396 G N 3.786 112.476 108.800 -0.183 0.000 2.248 396 G HA2 -0.179 3.784 3.960 0.005 0.000 0.263 396 G HA3 -0.179 3.784 3.960 0.005 0.000 0.263 396 G C -0.161 174.548 174.900 -0.319 0.000 1.082 396 G CA -0.041 44.887 45.100 -0.286 0.000 0.863 396 G HN 0.713 nan 8.290 nan 0.000 0.495 397 E N -1.272 118.773 120.200 -0.257 0.000 2.248 397 E HA 0.474 4.827 4.350 0.005 0.000 0.272 397 E C 0.033 176.469 176.600 -0.273 0.000 1.008 397 E CA -0.912 55.359 56.400 -0.216 0.000 0.856 397 E CB 1.145 30.796 29.700 -0.081 0.000 1.120 397 E HN 0.374 nan 8.360 nan 0.000 0.397 398 W N 1.135 122.422 121.300 -0.021 0.000 2.202 398 W HA 0.360 5.023 4.660 0.005 0.000 0.332 398 W C -0.207 176.295 176.519 -0.029 0.000 1.263 398 W CA -0.166 57.166 57.345 -0.023 0.000 1.223 398 W CB 0.804 30.252 29.460 -0.020 0.000 1.128 398 W HN 0.116 nan 8.180 nan 0.000 0.573 399 V N 2.252 122.336 119.914 0.283 0.000 3.077 399 V HA 0.154 4.277 4.120 0.005 0.000 0.299 399 V C -0.611 175.547 176.094 0.106 0.000 1.276 399 V CA -1.234 61.139 62.300 0.122 0.000 0.993 399 V CB 2.184 34.035 31.823 0.047 0.000 1.076 399 V HN 0.316 nan 8.190 nan 0.000 0.434 400 E N 1.840 122.063 120.200 0.039 0.000 2.283 400 E HA 0.596 4.949 4.350 0.005 0.000 0.278 400 E C -1.013 175.598 176.600 0.018 0.000 1.027 400 E CA -0.096 56.317 56.400 0.020 0.000 0.843 400 E CB 1.954 31.642 29.700 -0.021 0.000 1.062 400 E HN 0.376 nan 8.360 nan 0.000 0.401 401 V N 2.400 122.339 119.914 0.043 0.000 2.709 401 V HA 0.244 4.367 4.120 0.005 0.000 0.308 401 V C -0.239 175.911 176.094 0.094 0.000 1.062 401 V CA -0.702 61.632 62.300 0.056 0.000 0.901 401 V CB 2.172 34.018 31.823 0.038 0.000 1.003 401 V HN 0.595 nan 8.190 nan 0.000 0.425 402 E N 5.052 125.349 120.200 0.161 0.000 2.437 402 E HA 0.386 4.739 4.350 0.005 0.000 0.238 402 E C -2.718 174.041 176.600 0.265 0.000 0.969 402 E CA -2.004 54.543 56.400 0.245 0.000 0.759 402 E CB 1.931 31.850 29.700 0.365 0.000 1.283 402 E HN 0.403 nan 8.360 nan 0.000 0.416 403 P HA -0.102 nan 4.420 nan 0.000 0.263 403 P C -0.509 176.975 177.300 0.307 0.000 1.175 403 P CA 0.368 63.529 63.100 0.101 0.000 0.761 403 P CB 0.103 31.863 31.700 0.101 0.000 0.794 404 F N 2.379 122.408 119.950 0.133 0.000 2.553 404 F HA 0.038 4.568 4.527 0.005 0.000 0.356 404 F C 1.603 177.585 175.800 0.304 0.000 1.142 404 F CA -0.322 57.809 58.000 0.219 0.000 1.322 404 F CB -0.540 38.543 39.000 0.137 0.000 1.126 404 F HN 0.368 nan 8.300 nan 0.000 0.599 405 N N 1.147 120.221 118.700 0.624 0.000 2.514 405 N HA 0.433 5.175 4.740 0.005 0.000 0.299 405 N C 0.911 176.585 175.510 0.273 0.000 1.292 405 N CA -0.028 53.246 53.050 0.375 0.000 0.963 405 N CB -0.460 38.202 38.487 0.292 0.000 1.124 405 N HN 0.461 nan 8.380 nan 0.000 0.580 406 A N -0.254 122.663 122.820 0.163 0.000 1.940 406 A HA -0.196 4.127 4.320 0.005 0.000 0.221 406 A C 2.191 179.797 177.584 0.037 0.000 1.190 406 A CA 1.852 53.946 52.037 0.095 0.000 0.647 406 A CB -1.447 17.591 19.000 0.064 0.000 0.821 406 A HN 0.620 nan 8.150 nan 0.000 0.457 407 L N -2.707 118.506 121.223 -0.016 0.000 2.081 407 L HA -0.180 4.163 4.340 0.005 0.000 0.212 407 L C 1.570 178.155 176.870 -0.475 0.000 1.080 407 L CA 1.328 56.007 54.840 -0.268 0.000 0.754 407 L CB -0.487 41.368 42.059 -0.341 0.000 0.893 407 L HN 0.448 nan 8.230 nan 0.000 0.433 408 F N -0.557 119.424 119.950 0.050 0.000 2.750 408 F HA 0.337 4.867 4.527 0.004 0.000 0.297 408 F C 1.430 177.301 175.800 0.119 0.000 1.138 408 F CA 0.104 58.116 58.000 0.019 0.000 1.346 408 F CB 0.341 39.265 39.000 -0.127 0.000 0.965 408 F HN 0.106 nan 8.300 nan 0.000 0.514 409 G N 0.697 109.610 108.800 0.188 0.000 2.176 409 G HA2 -0.277 3.686 3.960 0.005 0.000 0.252 409 G HA3 -0.277 3.686 3.960 0.005 0.000 0.252 409 G C 1.139 176.144 174.900 0.175 0.000 1.024 409 G CA 0.188 45.378 45.100 0.150 0.000 0.755 409 G HN 0.643 nan 8.290 nan 0.000 0.507 410 G N -0.376 108.558 108.800 0.224 0.000 2.572 410 G HA2 0.427 4.390 3.960 0.005 0.000 0.214 410 G HA3 0.427 4.390 3.960 0.005 0.000 0.214 410 G C 1.013 175.997 174.900 0.140 0.000 1.246 410 G CA 0.696 45.919 45.100 0.206 0.000 0.835 410 G HN 0.640 nan 8.290 nan 0.000 0.551 411 L N 0.000 121.307 121.223 0.140 0.000 2.949 411 L HA 0.000 4.343 4.340 0.005 0.000 0.249 411 L CA 0.000 54.902 54.840 0.103 0.000 0.813 411 L CB 0.000 42.123 42.059 0.106 0.000 0.961 411 L HN 0.000 nan 8.230 nan 0.000 0.502