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 3oeh_1_N DATA FIRST_RESID 6 DATA SEQUENCE STPITGKVTA VIGAIVDVHF EQSELPAILN ALEIKTPQGK LVLEVAQHLG DATA SEQUENCE ENTVRTIAMD GTEGLVRGEK VLDTGGPISV PVGRETLGRI INVIGEPIDE DATA SEQUENCE RGPIKSKLRK PIHADPPSFA EQSTSAEILE TGIKVVDLLA PYARGGKIGL DATA SEQUENCE FGGAGVGKTV FIQELINNIA KAHGGFSVFT GVGERTREGN DLYREMKETG DATA SEQUENCE VINLEGESKV ALVFGQMNEP PGARARVALT GLTIAEYFRD EEGQDVLLFI DATA SEQUENCE DNIFRFTQAG SEVSALLGRI PSAFGYQPTL ATDMGLLQER ITTTKKGSVT DATA SEQUENCE SVQAVYVPAD DLTDPAPATT FAHLDATTVL SRGISELGIY PAVDPLDSKS DATA SEQUENCE RLLDAAVVGQ EHYDVASKVQ ETLQTYKSLQ DIIAILGMDE LSEQDKLTVE DATA SEQUENCE RARKIQRFLS QPFAVAEVFT GIPGKLVRLK DTVASFKAVL EGKYDNIPEH DATA SEQUENCE AFYMVGGIED VVAKAEKLAA 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.606 174.600 0.010 0.000 1.055 6 S CA 0.000 58.205 58.200 0.008 0.000 1.107 6 S CB 0.000 63.204 63.200 0.007 0.000 0.593 7 T N 4.229 118.790 114.554 0.012 0.000 2.991 7 T HA 0.473 4.823 4.350 -0.000 0.000 0.347 7 T C -2.800 171.913 174.700 0.022 0.000 1.122 7 T CA -1.111 60.999 62.100 0.015 0.000 1.062 7 T CB 1.263 70.138 68.868 0.012 0.000 1.043 7 T HN 0.315 nan 8.240 nan 0.000 0.491 8 P HA 0.206 nan 4.420 nan 0.000 0.262 8 P C -0.312 177.020 177.300 0.053 0.000 1.455 8 P CA -0.241 62.880 63.100 0.035 0.000 1.217 8 P CB -0.305 31.412 31.700 0.029 0.000 1.625 9 I N 2.135 122.742 120.570 0.063 0.000 2.455 9 I HA 0.022 4.192 4.170 -0.000 0.000 0.303 9 I C 1.336 177.559 176.117 0.176 0.000 1.180 9 I CA 0.401 61.760 61.300 0.098 0.000 1.469 9 I CB -0.377 37.659 38.000 0.060 0.000 1.480 9 I HN 0.223 nan 8.210 nan 0.000 0.669 10 T N 3.920 118.573 114.554 0.166 0.000 2.943 10 T HA 0.845 5.195 4.350 -0.000 0.000 0.284 10 T C -0.006 174.736 174.700 0.070 0.000 1.015 10 T CA -0.343 61.830 62.100 0.121 0.000 1.042 10 T CB 1.524 70.418 68.868 0.043 0.000 1.055 10 T HN 0.719 nan 8.240 nan 0.000 0.500 11 G N 1.764 110.450 108.800 -0.190 0.000 2.600 11 G HA2 0.621 4.580 3.960 -0.000 0.000 0.293 11 G HA3 0.621 4.580 3.960 -0.000 0.000 0.293 11 G C -1.968 172.714 174.900 -0.363 0.000 1.408 11 G CA -0.812 43.945 45.100 -0.572 0.000 0.782 11 G HN 0.737 nan 8.290 nan 0.000 0.482 12 K N -0.168 120.034 120.400 -0.330 0.000 2.371 12 K HA 0.581 4.901 4.320 -0.000 0.000 0.251 12 K C -0.501 176.000 176.600 -0.166 0.000 0.934 12 K CA -0.796 55.377 56.287 -0.189 0.000 0.798 12 K CB 3.029 35.445 32.500 -0.141 0.000 1.204 12 K HN 0.277 nan 8.250 nan 0.000 0.427 13 V N 2.694 122.540 119.914 -0.113 0.000 2.617 13 V HA -0.086 4.034 4.120 -0.000 0.000 0.304 13 V C 1.307 177.360 176.094 -0.069 0.000 1.040 13 V CA 0.896 63.151 62.300 -0.075 0.000 1.149 13 V CB 0.706 32.498 31.823 -0.051 0.000 0.914 13 V HN 1.081 nan 8.190 nan 0.000 0.487 14 T N 1.162 115.688 114.554 -0.046 0.000 3.018 14 T HA 0.557 4.907 4.350 -0.000 0.000 0.246 14 T C 0.406 175.089 174.700 -0.029 0.000 1.026 14 T CA 0.486 62.561 62.100 -0.043 0.000 1.081 14 T CB 0.538 69.395 68.868 -0.018 0.000 0.970 14 T HN 1.032 nan 8.240 nan 0.000 0.475 15 A N 0.508 123.317 122.820 -0.018 0.000 2.547 15 A HA 0.696 5.016 4.320 -0.000 0.000 0.297 15 A C -1.623 175.955 177.584 -0.010 0.000 1.056 15 A CA -0.677 51.353 52.037 -0.012 0.000 0.688 15 A CB 1.938 20.935 19.000 -0.005 0.000 1.282 15 A HN 0.266 nan 8.150 nan 0.000 0.400 16 V N 2.921 122.828 119.914 -0.010 0.000 2.488 16 V HA 0.462 4.581 4.120 -0.000 0.000 0.293 16 V C -1.019 175.070 176.094 -0.009 0.000 1.027 16 V CA -0.014 62.281 62.300 -0.009 0.000 0.862 16 V CB 1.209 33.026 31.823 -0.011 0.000 1.008 16 V HN 0.710 nan 8.190 nan 0.000 0.428 17 I N 4.198 124.764 120.570 -0.007 0.000 2.439 17 I HA 0.706 4.875 4.170 -0.000 0.000 0.285 17 I C 1.108 177.219 176.117 -0.009 0.000 1.021 17 I CA 0.078 61.373 61.300 -0.009 0.000 1.091 17 I CB 1.605 39.600 38.000 -0.009 0.000 1.242 17 I HN 0.779 nan 8.210 nan 0.000 0.439 18 G N 4.902 113.696 108.800 -0.011 0.000 2.660 18 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.321 18 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.321 18 G C 0.817 175.712 174.900 -0.009 0.000 1.246 18 G CA 0.678 45.771 45.100 -0.012 0.000 1.000 18 G HN 0.951 nan 8.290 nan 0.000 0.550 19 A N -0.679 122.135 122.820 -0.010 0.000 2.345 19 A HA 0.607 4.927 4.320 -0.000 0.000 0.225 19 A C 0.701 178.284 177.584 -0.002 0.000 1.243 19 A CA 0.344 52.378 52.037 -0.006 0.000 0.875 19 A CB 0.085 19.079 19.000 -0.009 0.000 0.929 19 A HN 0.525 nan 8.150 nan 0.000 0.502 20 I N 1.182 121.750 120.570 -0.003 0.000 2.331 20 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 20 I C -0.546 175.573 176.117 0.003 0.000 0.998 20 I CA -0.694 60.607 61.300 0.002 0.000 1.267 20 I CB 1.138 39.138 38.000 -0.001 0.000 1.386 20 I HN -0.124 nan 8.210 nan 0.000 0.476 21 V N 5.703 125.622 119.914 0.009 0.000 2.588 21 V HA 0.431 4.551 4.120 -0.000 0.000 0.304 21 V C -0.604 175.500 176.094 0.016 0.000 1.042 21 V CA -0.814 61.491 62.300 0.008 0.000 0.877 21 V CB 2.506 34.333 31.823 0.008 0.000 0.996 21 V HN 0.566 nan 8.190 nan 0.000 0.425 22 D N 2.624 123.031 120.400 0.013 0.000 2.192 22 D HA 0.687 5.327 4.640 -0.000 0.000 0.246 22 D C -0.689 175.620 176.300 0.014 0.000 1.042 22 D CA -0.083 53.930 54.000 0.022 0.000 0.847 22 D CB 2.374 43.187 40.800 0.021 0.000 1.186 22 D HN 0.263 nan 8.370 nan 0.000 0.461 23 V N 1.963 121.895 119.914 0.030 0.000 2.789 23 V HA 0.261 4.381 4.120 -0.000 0.000 0.311 23 V C -0.402 175.678 176.094 -0.022 0.000 1.073 23 V CA -0.852 61.432 62.300 -0.027 0.000 0.921 23 V CB 2.397 34.204 31.823 -0.026 0.000 1.009 23 V HN 0.565 nan 8.190 nan 0.000 0.426 24 H N 3.312 122.208 119.070 -0.289 0.000 2.469 24 H HA 0.684 5.240 4.556 -0.000 0.000 0.342 24 H C -1.971 173.078 175.328 -0.465 0.000 1.115 24 H CA -0.468 55.453 56.048 -0.211 0.000 1.204 24 H CB 1.620 31.296 29.762 -0.144 0.000 1.492 24 H HN 0.481 nan 8.280 nan 0.000 0.499 25 F N 1.377 121.093 119.950 -0.390 0.000 2.620 25 F HA 0.247 4.774 4.527 -0.000 0.000 0.320 25 F C 0.365 175.983 175.800 -0.303 0.000 1.069 25 F CA -0.970 56.901 58.000 -0.215 0.000 0.953 25 F CB 1.297 40.204 39.000 -0.155 0.000 1.322 25 F HN 0.427 nan 8.300 nan 0.000 0.479 26 E N 0.053 120.306 120.200 0.089 0.000 2.351 26 E HA 0.145 4.495 4.350 -0.000 0.000 0.255 26 E C -0.786 175.823 176.600 0.016 0.000 1.188 26 E CA -0.601 55.824 56.400 0.041 0.000 0.940 26 E CB 0.317 30.060 29.700 0.072 0.000 1.094 26 E HN 0.503 nan 8.360 nan 0.000 0.474 27 Q N 0.957 120.762 119.800 0.009 0.000 2.388 27 Q HA -0.019 4.321 4.340 -0.000 0.000 0.302 27 Q C -0.152 175.846 176.000 -0.002 0.000 1.149 27 Q CA 0.838 56.641 55.803 -0.000 0.000 1.014 27 Q CB -0.441 28.301 28.738 0.008 0.000 1.072 27 Q HN 0.697 nan 8.270 nan 0.000 0.395 28 S N 1.511 117.201 115.700 -0.016 0.000 3.968 28 S HA -0.203 4.267 4.470 -0.000 0.000 0.373 28 S C -0.075 174.505 174.600 -0.034 0.000 0.974 28 S CA 1.246 59.432 58.200 -0.023 0.000 1.124 28 S CB -1.552 61.640 63.200 -0.013 0.000 0.862 28 S HN 0.872 nan 8.310 nan 0.000 0.492 29 E N -0.391 119.775 120.200 -0.056 0.000 2.743 29 E HA 0.313 4.663 4.350 -0.000 0.000 0.222 29 E C -0.074 176.351 176.600 -0.292 0.000 0.959 29 E CA -0.426 55.923 56.400 -0.085 0.000 1.198 29 E CB 0.489 30.208 29.700 0.032 0.000 1.100 29 E HN 0.693 nan 8.360 nan 0.000 0.518 30 L N 4.266 125.301 121.223 -0.314 0.000 2.462 30 L HA 0.174 4.514 4.340 -0.000 0.000 0.272 30 L C -1.837 174.757 176.870 -0.460 0.000 1.166 30 L CA -1.530 52.981 54.840 -0.548 0.000 0.880 30 L CB -0.267 41.561 42.059 -0.385 0.000 1.142 30 L HN -0.123 nan 8.230 nan 0.000 0.473 31 P HA 0.125 nan 4.420 nan 0.000 0.271 31 P C -0.542 176.709 177.300 -0.082 0.000 1.218 31 P CA -0.436 62.477 63.100 -0.312 0.000 0.780 31 P CB 0.879 32.385 31.700 -0.323 0.000 0.901 32 A N 3.583 126.394 122.820 -0.015 0.000 2.366 32 A HA 0.263 4.583 4.320 -0.000 0.000 0.249 32 A C 0.636 178.254 177.584 0.057 0.000 1.084 32 A CA -0.567 51.498 52.037 0.048 0.000 0.794 32 A CB -0.423 18.564 19.000 -0.022 0.000 1.034 32 A HN 0.542 nan 8.150 nan 0.000 0.491 33 I N 0.830 121.410 120.570 0.017 0.000 2.775 33 I HA -0.018 4.152 4.170 -0.000 0.000 0.290 33 I C 0.680 176.749 176.117 -0.080 0.000 1.203 33 I CA 0.817 62.103 61.300 -0.023 0.000 1.433 33 I CB 0.086 38.033 38.000 -0.087 0.000 1.354 33 I HN 0.730 nan 8.210 nan 0.000 0.579 34 L N 1.992 123.153 121.223 -0.103 0.000 4.383 34 L HA -0.243 4.097 4.340 -0.000 0.000 0.402 34 L C 0.280 177.090 176.870 -0.100 0.000 0.803 34 L CA 0.045 54.759 54.840 -0.211 0.000 2.175 34 L CB -1.518 40.304 42.059 -0.396 0.000 1.434 34 L HN 0.679 nan 8.230 nan 0.000 0.591 35 N N 1.099 119.775 118.700 -0.040 0.000 2.441 35 N HA 0.464 5.204 4.740 -0.000 0.000 0.251 35 N C 0.248 175.771 175.510 0.021 0.000 1.242 35 N CA 0.963 54.009 53.050 -0.006 0.000 0.898 35 N CB 0.750 39.226 38.487 -0.019 0.000 1.100 35 N HN 0.311 nan 8.380 nan 0.000 0.443 36 A N 1.599 124.441 122.820 0.036 0.000 2.301 36 A HA 0.522 4.841 4.320 -0.000 0.000 0.298 36 A C -0.745 176.866 177.584 0.046 0.000 1.185 36 A CA -0.438 51.627 52.037 0.047 0.000 0.830 36 A CB 0.213 19.244 19.000 0.051 0.000 1.112 36 A HN 0.563 nan 8.150 nan 0.000 0.508 37 L N 1.694 122.951 121.223 0.058 0.000 2.334 37 L HA 0.701 5.041 4.340 -0.000 0.000 0.273 37 L C -0.277 176.630 176.870 0.061 0.000 1.013 37 L CA -0.132 54.754 54.840 0.078 0.000 0.816 37 L CB 1.656 43.785 42.059 0.116 0.000 1.278 37 L HN 0.788 nan 8.230 nan 0.000 0.431 38 E N 4.177 124.412 120.200 0.059 0.000 2.256 38 E HA 0.660 5.010 4.350 -0.000 0.000 0.267 38 E C -1.380 175.239 176.600 0.033 0.000 0.892 38 E CA -0.584 55.840 56.400 0.040 0.000 0.775 38 E CB 2.500 32.219 29.700 0.032 0.000 1.207 38 E HN 0.548 nan 8.360 nan 0.000 0.420 39 I N 1.940 122.522 120.570 0.021 0.000 2.569 39 I HA 0.296 4.466 4.170 -0.000 0.000 0.290 39 I C -0.642 175.480 176.117 0.008 0.000 1.088 39 I CA -0.981 60.326 61.300 0.012 0.000 1.047 39 I CB 1.973 39.977 38.000 0.006 0.000 1.237 39 I HN 0.202 nan 8.210 nan 0.000 0.421 40 K N 3.918 124.321 120.400 0.005 0.000 2.350 40 K HA 0.424 4.744 4.320 -0.000 0.000 0.279 40 K C 0.100 176.701 176.600 0.001 0.000 1.027 40 K CA -0.222 56.067 56.287 0.003 0.000 0.969 40 K CB 0.900 33.401 32.500 0.002 0.000 0.954 40 K HN 0.741 nan 8.250 nan 0.000 0.474 41 T N -1.464 113.091 114.554 0.002 0.000 2.910 41 T HA 0.380 4.730 4.350 -0.000 0.000 0.287 41 T C -1.535 173.165 174.700 0.001 0.000 1.050 41 T CA -1.557 60.543 62.100 0.001 0.000 1.011 41 T CB 1.253 70.122 68.868 0.002 0.000 1.195 41 T HN 0.309 nan 8.240 nan 0.000 0.540 42 P HA -0.016 nan 4.420 nan 0.000 0.214 42 P C 1.899 179.200 177.300 0.001 0.000 1.162 42 P CA 1.932 65.033 63.100 0.000 0.000 0.879 42 P CB -0.517 31.183 31.700 -0.000 0.000 0.786 43 Q N 0.334 120.136 119.800 0.002 0.000 1.984 43 Q HA 0.232 4.572 4.340 -0.000 0.000 0.196 43 Q C 1.967 177.969 176.000 0.003 0.000 0.975 43 Q CA 1.646 57.451 55.803 0.003 0.000 0.827 43 Q CB -1.325 27.415 28.738 0.004 0.000 0.894 43 Q HN 0.444 nan 8.270 nan 0.000 0.438 44 G N -0.258 108.544 108.800 0.004 0.000 3.356 44 G HA2 0.506 4.466 3.960 -0.000 0.000 0.178 44 G HA3 0.506 4.466 3.960 -0.000 0.000 0.178 44 G C -0.730 174.172 174.900 0.004 0.000 1.175 44 G CA 0.105 45.208 45.100 0.004 0.000 0.840 44 G HN 0.734 nan 8.290 nan 0.000 0.658 45 K N -0.580 119.824 120.400 0.006 0.000 2.581 45 K HA 0.599 4.919 4.320 -0.000 0.000 0.249 45 K C -1.458 175.148 176.600 0.010 0.000 0.966 45 K CA -0.739 55.553 56.287 0.007 0.000 0.811 45 K CB 2.023 34.528 32.500 0.008 0.000 1.223 45 K HN 0.454 nan 8.250 nan 0.000 0.438 46 L N 3.448 124.677 121.223 0.010 0.000 2.361 46 L HA 0.364 4.704 4.340 -0.000 0.000 0.278 46 L C -1.097 175.783 176.870 0.018 0.000 1.113 46 L CA -0.001 54.847 54.840 0.012 0.000 0.849 46 L CB 1.132 43.197 42.059 0.009 0.000 1.155 46 L HN 0.596 nan 8.230 nan 0.000 0.452 47 V N 6.714 126.640 119.914 0.021 0.000 2.483 47 V HA 0.467 4.587 4.120 -0.000 0.000 0.295 47 V C 0.210 176.324 176.094 0.033 0.000 1.035 47 V CA -0.553 61.764 62.300 0.028 0.000 0.896 47 V CB 1.622 33.462 31.823 0.028 0.000 0.986 47 V HN 0.686 nan 8.190 nan 0.000 0.447 48 L N 3.563 124.811 121.223 0.041 0.000 2.319 48 L HA 0.675 5.015 4.340 -0.000 0.000 0.267 48 L C -0.171 176.730 176.870 0.051 0.000 1.011 48 L CA -0.505 54.362 54.840 0.044 0.000 0.818 48 L CB 2.031 44.120 42.059 0.049 0.000 1.316 48 L HN 0.573 nan 8.230 nan 0.000 0.432 49 E N 1.350 121.579 120.200 0.049 0.000 2.255 49 E HA 0.306 4.656 4.350 -0.000 0.000 0.256 49 E C -1.313 175.309 176.600 0.037 0.000 0.887 49 E CA -0.645 55.785 56.400 0.049 0.000 0.782 49 E CB 2.073 31.813 29.700 0.066 0.000 1.214 49 E HN 0.312 nan 8.360 nan 0.000 0.417 50 V N 2.928 122.863 119.914 0.034 0.000 2.694 50 V HA 0.105 4.225 4.120 -0.000 0.000 0.306 50 V C 0.972 177.078 176.094 0.021 0.000 1.054 50 V CA 1.082 63.406 62.300 0.040 0.000 1.161 50 V CB 0.960 32.812 31.823 0.048 0.000 0.916 50 V HN 0.823 nan 8.190 nan 0.000 0.490 51 A N 3.653 126.495 122.820 0.036 0.000 2.606 51 A HA 0.444 4.764 4.320 -0.000 0.000 0.230 51 A C 0.356 177.959 177.584 0.031 0.000 1.279 51 A CA -0.029 52.017 52.037 0.014 0.000 1.010 51 A CB 0.505 19.510 19.000 0.008 0.000 1.271 51 A HN 0.767 nan 8.150 nan 0.000 0.584 52 Q N -0.624 119.227 119.800 0.086 0.000 2.527 52 Q HA 0.316 4.656 4.340 -0.000 0.000 0.280 52 Q C -1.753 174.397 176.000 0.249 0.000 0.977 52 Q CA -0.553 55.318 55.803 0.113 0.000 0.837 52 Q CB 1.722 30.498 28.738 0.064 0.000 1.454 52 Q HN 0.637 nan 8.270 nan 0.000 0.387 53 H N 2.602 121.666 119.070 -0.010 0.000 2.551 53 H HA 0.312 4.868 4.556 -0.000 0.000 0.321 53 H C 0.317 175.645 175.328 0.001 0.000 1.028 53 H CA -0.296 55.749 56.048 -0.006 0.000 1.215 53 H CB 1.154 30.905 29.762 -0.019 0.000 1.414 53 H HN 0.433 nan 8.280 nan 0.000 0.480 54 L N 2.704 123.979 121.223 0.087 0.000 2.592 54 L HA 0.229 4.569 4.340 -0.000 0.000 0.227 54 L C 1.215 178.112 176.870 0.044 0.000 1.127 54 L CA 0.212 55.085 54.840 0.055 0.000 0.884 54 L CB -0.020 42.063 42.059 0.039 0.000 1.065 54 L HN 0.881 nan 8.230 nan 0.000 0.457 55 G N 0.682 109.509 108.800 0.044 0.000 2.757 55 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.638 55 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.638 55 G C 0.072 174.980 174.900 0.013 0.000 1.344 55 G CA -0.362 44.756 45.100 0.029 0.000 0.855 55 G HN 0.374 nan 8.290 nan 0.000 0.537 56 E N 0.309 120.516 120.200 0.011 0.000 2.294 56 E HA -0.280 4.070 4.350 -0.000 0.000 0.228 56 E C 0.684 177.268 176.600 -0.027 0.000 1.253 56 E CA 0.782 57.189 56.400 0.012 0.000 0.716 56 E CB -1.301 28.422 29.700 0.038 0.000 1.184 56 E HN 0.966 nan 8.360 nan 0.000 0.374 57 N N -0.994 117.663 118.700 -0.071 0.000 2.740 57 N HA -0.159 4.581 4.740 -0.000 0.000 0.248 57 N C -0.821 174.584 175.510 -0.175 0.000 1.062 57 N CA 1.581 54.536 53.050 -0.157 0.000 0.704 57 N CB -1.027 37.305 38.487 -0.259 0.000 0.968 57 N HN 0.190 nan 8.380 nan 0.000 0.547 58 T N -0.180 114.332 114.554 -0.070 0.000 2.886 58 T HA 0.601 4.951 4.350 -0.000 0.000 0.292 58 T C 0.358 175.045 174.700 -0.021 0.000 1.012 58 T CA -0.684 61.415 62.100 -0.003 0.000 0.982 58 T CB 2.851 71.746 68.868 0.045 0.000 1.018 58 T HN 0.160 nan 8.240 nan 0.000 0.451 59 V N 0.896 120.823 119.914 0.022 0.000 3.046 59 V HA 0.833 4.953 4.120 -0.000 0.000 0.316 59 V C -0.511 175.612 176.094 0.048 0.000 1.104 59 V CA -1.469 60.832 62.300 0.001 0.000 1.006 59 V CB 1.960 33.764 31.823 -0.030 0.000 1.058 59 V HN 0.853 nan 8.190 nan 0.000 0.440 60 R N 1.551 122.083 120.500 0.054 0.000 2.360 60 R HA 0.700 5.040 4.340 -0.000 0.000 0.318 60 R C -0.431 175.897 176.300 0.048 0.000 0.950 60 R CA 0.253 56.381 56.100 0.047 0.000 0.837 60 R CB 1.506 31.831 30.300 0.041 0.000 1.165 60 R HN 1.198 nan 8.270 nan 0.000 0.458 61 T N 2.431 117.010 114.554 0.042 0.000 2.908 61 T HA 0.545 4.895 4.350 -0.000 0.000 0.290 61 T C 0.211 174.928 174.700 0.028 0.000 1.034 61 T CA -1.000 61.124 62.100 0.040 0.000 1.010 61 T CB 1.077 69.976 68.868 0.051 0.000 1.068 61 T HN 0.552 nan 8.240 nan 0.000 0.481 62 I N 0.638 121.224 120.570 0.027 0.000 2.359 62 I HA 0.798 4.968 4.170 -0.000 0.000 0.294 62 I C 0.311 176.442 176.117 0.024 0.000 0.987 62 I CA -1.342 59.970 61.300 0.020 0.000 1.225 62 I CB 1.088 39.098 38.000 0.017 0.000 1.366 62 I HN 0.854 nan 8.210 nan 0.000 0.466 63 A N 6.822 129.652 122.820 0.017 0.000 2.371 63 A HA 0.529 4.849 4.320 -0.000 0.000 0.257 63 A C 0.744 178.339 177.584 0.019 0.000 1.089 63 A CA -0.568 51.480 52.037 0.017 0.000 0.794 63 A CB 0.741 19.747 19.000 0.011 0.000 1.029 63 A HN 0.898 nan 8.150 nan 0.000 0.488 64 M N 0.385 119.998 119.600 0.022 0.000 2.382 64 M HA 0.191 4.671 4.480 -0.000 0.000 0.247 64 M C -0.177 176.134 176.300 0.018 0.000 1.104 64 M CA 0.616 55.929 55.300 0.023 0.000 1.030 64 M CB -0.822 31.795 32.600 0.028 0.000 1.424 64 M HN 0.863 nan 8.290 nan 0.000 0.486 65 D N -1.162 119.246 120.400 0.014 0.000 2.759 65 D HA 0.514 5.153 4.640 -0.000 0.000 0.321 65 D C -0.326 175.978 176.300 0.007 0.000 1.267 65 D CA -0.193 53.814 54.000 0.011 0.000 0.933 65 D CB 0.973 41.780 40.800 0.012 0.000 1.431 65 D HN 0.096 nan 8.370 nan 0.000 0.504 66 G N -1.286 107.516 108.800 0.004 0.000 2.647 66 G HA2 0.352 4.312 3.960 -0.000 0.000 0.234 66 G HA3 0.352 4.312 3.960 -0.000 0.000 0.234 66 G C 0.715 175.615 174.900 0.001 0.000 1.252 66 G CA 0.656 45.757 45.100 0.001 0.000 0.846 66 G HN 0.483 nan 8.290 nan 0.000 0.589 67 T N -2.042 112.511 114.554 -0.002 0.000 3.084 67 T HA 0.222 4.572 4.350 -0.000 0.000 0.270 67 T C 0.237 174.935 174.700 -0.004 0.000 1.008 67 T CA -0.250 61.848 62.100 -0.002 0.000 0.900 67 T CB 0.122 68.989 68.868 -0.003 0.000 1.084 67 T HN 0.498 nan 8.240 nan 0.000 0.538 68 E N 1.794 121.991 120.200 -0.004 0.000 2.480 68 E HA 0.430 4.780 4.350 -0.000 0.000 0.258 68 E C 1.386 177.983 176.600 -0.005 0.000 0.984 68 E CA 0.929 57.326 56.400 -0.005 0.000 0.930 68 E CB -0.443 29.255 29.700 -0.004 0.000 0.936 68 E HN 0.427 nan 8.360 nan 0.000 0.466 69 G N 2.274 111.070 108.800 -0.007 0.000 2.159 69 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.256 69 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.256 69 G C 0.106 175.001 174.900 -0.009 0.000 0.977 69 G CA -0.185 44.911 45.100 -0.007 0.000 0.652 69 G HN 0.426 nan 8.290 nan 0.000 0.531 70 L N 0.032 121.249 121.223 -0.009 0.000 2.453 70 L HA 0.605 4.945 4.340 -0.000 0.000 0.261 70 L C 0.420 177.281 176.870 -0.015 0.000 1.179 70 L CA -0.378 54.455 54.840 -0.012 0.000 0.813 70 L CB 1.398 43.451 42.059 -0.010 0.000 1.110 70 L HN -0.001 nan 8.230 nan 0.000 0.466 71 V N 2.480 122.383 119.914 -0.019 0.000 2.733 71 V HA 0.325 4.445 4.120 -0.000 0.000 0.306 71 V C -0.259 175.817 176.094 -0.030 0.000 1.084 71 V CA -0.863 61.423 62.300 -0.023 0.000 0.905 71 V CB 2.066 33.876 31.823 -0.022 0.000 1.010 71 V HN 0.684 nan 8.190 nan 0.000 0.424 72 R N 2.555 123.036 120.500 -0.032 0.000 2.504 72 R HA 0.359 4.699 4.340 -0.000 0.000 0.291 72 R C 1.336 177.606 176.300 -0.051 0.000 0.974 72 R CA 1.218 57.292 56.100 -0.042 0.000 1.077 72 R CB 0.048 30.323 30.300 -0.041 0.000 0.926 72 R HN 1.230 nan 8.270 nan 0.000 0.407 73 G N 1.848 110.609 108.800 -0.064 0.000 2.232 73 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.226 73 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.226 73 G C 0.171 175.032 174.900 -0.065 0.000 0.996 73 G CA -0.033 45.023 45.100 -0.072 0.000 0.626 73 G HN 0.620 nan 8.290 nan 0.000 0.509 74 E N 0.983 121.151 120.200 -0.053 0.000 2.437 74 E HA 0.319 4.668 4.350 -0.000 0.000 0.263 74 E C 0.455 177.023 176.600 -0.053 0.000 1.030 74 E CA -0.029 56.344 56.400 -0.044 0.000 0.934 74 E CB 0.286 29.965 29.700 -0.033 0.000 0.943 74 E HN 0.300 nan 8.360 nan 0.000 0.444 75 K N 2.509 122.884 120.400 -0.042 0.000 2.339 75 K HA 0.165 4.485 4.320 -0.000 0.000 0.286 75 K C -0.767 175.812 176.600 -0.035 0.000 1.050 75 K CA -0.427 55.834 56.287 -0.043 0.000 0.956 75 K CB 0.732 33.215 32.500 -0.027 0.000 0.990 75 K HN 0.326 nan 8.250 nan 0.000 0.475 76 V N 2.373 122.257 119.914 -0.050 0.000 2.823 76 V HA 0.655 4.775 4.120 -0.000 0.000 0.312 76 V C -1.374 174.737 176.094 0.027 0.000 1.072 76 V CA -1.203 61.086 62.300 -0.019 0.000 0.937 76 V CB 1.674 33.475 31.823 -0.037 0.000 1.013 76 V HN 0.618 nan 8.190 nan 0.000 0.430 77 L N 3.113 124.375 121.223 0.065 0.000 2.349 77 L HA 0.728 5.068 4.340 -0.000 0.000 0.278 77 L C -0.503 176.439 176.870 0.120 0.000 0.996 77 L CA 0.050 54.945 54.840 0.092 0.000 0.825 77 L CB 1.380 43.472 42.059 0.054 0.000 1.243 77 L HN 0.977 nan 8.230 nan 0.000 0.412 78 D N 1.977 122.471 120.400 0.156 0.000 2.350 78 D HA 0.175 4.815 4.640 -0.000 0.000 0.249 78 D C 1.003 177.332 176.300 0.048 0.000 1.119 78 D CA 0.572 54.629 54.000 0.096 0.000 0.886 78 D CB 1.607 42.430 40.800 0.038 0.000 1.195 78 D HN 0.752 nan 8.370 nan 0.000 0.437 79 T N 0.464 115.037 114.554 0.031 0.000 3.044 79 T HA 0.327 4.677 4.350 -0.000 0.000 0.255 79 T C 1.449 176.155 174.700 0.010 0.000 1.073 79 T CA 0.693 62.806 62.100 0.022 0.000 1.125 79 T CB 0.228 69.109 68.868 0.023 0.000 0.908 79 T HN 0.657 nan 8.240 nan 0.000 0.480 80 G N 0.371 109.170 108.800 -0.001 0.000 2.491 80 G HA2 0.166 4.126 3.960 -0.000 0.000 0.203 80 G HA3 0.166 4.126 3.960 -0.000 0.000 0.203 80 G C 0.359 175.254 174.900 -0.009 0.000 1.052 80 G CA -0.212 44.883 45.100 -0.009 0.000 0.675 80 G HN 1.106 nan 8.290 nan 0.000 0.504 81 G N -0.079 108.722 108.800 0.002 0.000 2.921 81 G HA2 0.757 4.717 3.960 -0.000 0.000 0.291 81 G HA3 0.757 4.717 3.960 -0.000 0.000 0.291 81 G C -3.119 171.795 174.900 0.024 0.000 1.370 81 G CA -0.569 44.536 45.100 0.009 0.000 0.847 81 G HN 0.262 nan 8.290 nan 0.000 0.532 82 P HA 0.160 nan 4.420 nan 0.000 0.272 82 P C 0.189 177.544 177.300 0.092 0.000 1.248 82 P CA -0.296 62.861 63.100 0.095 0.000 0.799 82 P CB 0.515 32.314 31.700 0.165 0.000 0.997 83 I N 0.341 120.984 120.570 0.122 0.000 2.845 83 I HA -0.097 4.073 4.170 -0.000 0.000 0.290 83 I C 0.968 177.107 176.117 0.037 0.000 1.202 83 I CA 0.911 62.252 61.300 0.069 0.000 1.406 83 I CB -0.413 37.625 38.000 0.063 0.000 1.383 83 I HN 0.316 nan 8.210 nan 0.000 0.549 84 S N 7.005 122.715 115.700 0.016 0.000 2.565 84 S HA 0.822 5.292 4.470 -0.000 0.000 0.290 84 S C -0.457 174.130 174.600 -0.021 0.000 1.150 84 S CA -0.713 57.485 58.200 -0.003 0.000 1.058 84 S CB 2.029 65.226 63.200 -0.005 0.000 1.032 84 S HN 0.486 nan 8.310 nan 0.000 0.510 85 V N -1.618 118.271 119.914 -0.041 0.000 3.007 85 V HA 0.775 4.895 4.120 -0.000 0.000 0.311 85 V C -3.008 173.032 176.094 -0.090 0.000 1.120 85 V CA -2.879 59.387 62.300 -0.057 0.000 0.980 85 V CB 1.448 33.237 31.823 -0.055 0.000 1.033 85 V HN 0.797 nan 8.190 nan 0.000 0.429 86 P HA 0.292 nan 4.420 nan 0.000 0.268 86 P C -0.462 176.716 177.300 -0.203 0.000 1.205 86 P CA 0.245 63.258 63.100 -0.146 0.000 0.771 86 P CB 1.149 32.780 31.700 -0.114 0.000 0.858 87 V N -1.244 118.463 119.914 -0.345 0.000 3.040 87 V HA 0.952 5.072 4.120 -0.000 0.000 0.312 87 V C 0.249 175.889 176.094 -0.757 0.000 1.115 87 V CA -0.156 61.832 62.300 -0.519 0.000 0.998 87 V CB 1.119 32.571 31.823 -0.618 0.000 1.042 87 V HN 1.015 nan 8.190 nan 0.000 0.433 88 G N 1.691 109.983 108.800 -0.846 0.000 2.660 88 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.215 88 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.215 88 G C 0.374 175.165 174.900 -0.183 0.000 1.345 88 G CA 0.850 45.470 45.100 -0.801 0.000 0.877 88 G HN 1.352 nan 8.290 nan 0.000 0.549 89 R N -0.049 120.537 120.500 0.143 0.000 2.159 89 R HA -0.191 4.149 4.340 -0.000 0.000 0.252 89 R C 2.263 178.612 176.300 0.082 0.000 1.144 89 R CA 2.670 58.908 56.100 0.231 0.000 0.961 89 R CB -0.331 30.060 30.300 0.152 0.000 0.877 89 R HN 0.589 nan 8.270 nan 0.000 0.444 90 E N -0.386 119.815 120.200 0.002 0.000 2.401 90 E HA -0.125 4.225 4.350 -0.000 0.000 0.199 90 E C 1.772 178.358 176.600 -0.022 0.000 1.023 90 E CA 1.545 57.930 56.400 -0.024 0.000 0.859 90 E CB -0.087 29.582 29.700 -0.051 0.000 0.780 90 E HN 0.669 nan 8.360 nan 0.000 0.523 91 T N -1.361 113.194 114.554 0.002 0.000 2.978 91 T HA 0.013 4.363 4.350 -0.000 0.000 0.262 91 T C 1.295 176.007 174.700 0.021 0.000 1.063 91 T CA -0.079 62.026 62.100 0.008 0.000 1.140 91 T CB -0.289 68.597 68.868 0.030 0.000 0.886 91 T HN -0.017 nan 8.240 nan 0.000 0.470 92 L N 2.301 123.544 121.223 0.034 0.000 2.601 92 L HA 0.356 4.696 4.340 -0.000 0.000 0.277 92 L C 1.764 178.623 176.870 -0.018 0.000 1.219 92 L CA 1.001 55.831 54.840 -0.016 0.000 0.915 92 L CB -0.250 41.733 42.059 -0.126 0.000 1.160 92 L HN 0.604 nan 8.230 nan 0.000 0.494 93 G N 1.811 110.613 108.800 0.004 0.000 2.225 93 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.254 93 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.254 93 G C 0.444 175.379 174.900 0.060 0.000 0.988 93 G CA -0.376 44.752 45.100 0.047 0.000 0.625 93 G HN 0.477 nan 8.290 nan 0.000 0.527 94 R N 0.034 120.527 120.500 -0.011 0.000 2.532 94 R HA 0.668 5.008 4.340 -0.000 0.000 0.272 94 R C 0.314 176.515 176.300 -0.165 0.000 1.032 94 R CA -0.805 55.256 56.100 -0.064 0.000 1.089 94 R CB 0.682 30.948 30.300 -0.057 0.000 1.098 94 R HN 0.315 nan 8.270 nan 0.000 0.526 95 I N 3.429 123.845 120.570 -0.256 0.000 2.328 95 I HA 0.313 4.483 4.170 -0.000 0.000 0.287 95 I C 0.372 176.348 176.117 -0.236 0.000 1.012 95 I CA -0.319 60.761 61.300 -0.367 0.000 1.195 95 I CB 0.705 38.407 38.000 -0.495 0.000 1.350 95 I HN 0.265 nan 8.210 nan 0.000 0.464 96 I N 6.003 126.444 120.570 -0.216 0.000 2.783 96 I HA 0.337 4.507 4.170 -0.000 0.000 0.312 96 I C 0.220 176.276 176.117 -0.102 0.000 0.988 96 I CA -0.530 60.694 61.300 -0.127 0.000 1.182 96 I CB 1.140 39.082 38.000 -0.096 0.000 1.368 96 I HN 0.642 nan 8.210 nan 0.000 0.511 97 N N 1.394 120.066 118.700 -0.046 0.000 2.989 97 N HA 0.177 4.917 4.740 -0.000 0.000 0.338 97 N C 0.360 175.868 175.510 -0.003 0.000 1.369 97 N CA -0.815 52.232 53.050 -0.004 0.000 0.794 97 N CB 0.171 38.668 38.487 0.016 0.000 1.359 97 N HN 0.311 nan 8.380 nan 0.000 0.609 98 V N -0.447 119.476 119.914 0.014 0.000 2.469 98 V HA -0.083 4.037 4.120 -0.000 0.000 0.251 98 V C 1.445 177.539 176.094 0.000 0.000 1.064 98 V CA 1.848 64.154 62.300 0.010 0.000 1.066 98 V CB -0.764 31.073 31.823 0.023 0.000 0.667 98 V HN 0.639 nan 8.190 nan 0.000 0.461 99 I N -2.930 117.641 120.570 0.001 0.000 3.914 99 I HA 0.593 4.763 4.170 -0.000 0.000 0.333 99 I C 1.335 177.445 176.117 -0.012 0.000 1.449 99 I CA 0.540 61.840 61.300 -0.000 0.000 1.135 99 I CB 0.030 38.035 38.000 0.008 0.000 1.073 99 I HN 0.260 nan 8.210 nan 0.000 0.401 100 G N 0.927 109.713 108.800 -0.022 0.000 2.268 100 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.240 100 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.240 100 G C 0.147 175.026 174.900 -0.035 0.000 1.010 100 G CA -0.059 45.020 45.100 -0.034 0.000 0.618 100 G HN 0.526 nan 8.290 nan 0.000 0.516 101 E N 2.148 122.333 120.200 -0.025 0.000 2.502 101 E HA 0.222 4.572 4.350 -0.000 0.000 0.261 101 E C -2.387 174.193 176.600 -0.034 0.000 0.974 101 E CA -0.720 55.666 56.400 -0.024 0.000 0.936 101 E CB 0.512 30.204 29.700 -0.012 0.000 0.926 101 E HN 0.287 nan 8.360 nan 0.000 0.459 102 P HA 0.133 nan 4.420 nan 0.000 0.280 102 P C 0.314 177.591 177.300 -0.038 0.000 1.244 102 P CA 0.025 63.097 63.100 -0.047 0.000 0.784 102 P CB 0.300 31.976 31.700 -0.040 0.000 0.913 103 I N -0.757 119.782 120.570 -0.053 0.000 3.833 103 I HA 0.289 4.459 4.170 -0.000 0.000 0.328 103 I C -0.333 175.756 176.117 -0.046 0.000 1.554 103 I CA -0.267 61.013 61.300 -0.033 0.000 1.116 103 I CB 0.112 38.105 38.000 -0.011 0.000 1.182 103 I HN 0.032 nan 8.210 nan 0.000 0.459 104 D N 0.389 120.751 120.400 -0.062 0.000 2.342 104 D HA 0.026 4.666 4.640 -0.000 0.000 0.221 104 D C 0.297 176.600 176.300 0.004 0.000 1.101 104 D CA -0.280 53.688 54.000 -0.054 0.000 0.837 104 D CB -0.185 40.560 40.800 -0.092 0.000 0.938 104 D HN 0.426 nan 8.370 nan 0.000 0.508 105 E N 0.161 120.363 120.200 0.003 0.000 2.294 105 E HA -0.284 4.066 4.350 -0.000 0.000 0.228 105 E C 0.051 176.661 176.600 0.016 0.000 1.253 105 E CA 0.244 56.651 56.400 0.013 0.000 0.716 105 E CB -1.038 28.676 29.700 0.022 0.000 1.184 105 E HN 0.458 nan 8.360 nan 0.000 0.374 106 R N -0.269 120.237 120.500 0.009 0.000 2.662 106 R HA 0.281 4.621 4.340 -0.000 0.000 0.396 106 R C 0.865 177.167 176.300 0.003 0.000 1.096 106 R CA 0.178 56.285 56.100 0.013 0.000 1.081 106 R CB 1.136 31.449 30.300 0.022 0.000 1.382 106 R HN 0.359 nan 8.270 nan 0.000 0.580 107 G N 2.368 111.168 108.800 -0.000 0.000 2.498 107 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.245 107 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.245 107 G C -2.665 172.229 174.900 -0.010 0.000 1.204 107 G CA -0.781 44.316 45.100 -0.004 0.000 0.933 107 G HN 0.226 nan 8.290 nan 0.000 0.574 108 P HA 0.709 nan 4.420 nan 0.000 0.301 108 P C -0.416 176.871 177.300 -0.021 0.000 1.350 108 P CA -0.869 62.221 63.100 -0.017 0.000 0.941 108 P CB 1.295 32.986 31.700 -0.015 0.000 1.128 109 I N 2.002 122.554 120.570 -0.029 0.000 2.529 109 I HA 0.177 4.347 4.170 -0.000 0.000 0.284 109 I C 0.911 177.006 176.117 -0.037 0.000 1.082 109 I CA -0.027 61.251 61.300 -0.036 0.000 1.406 109 I CB 0.297 38.269 38.000 -0.047 0.000 1.405 109 I HN 0.124 nan 8.210 nan 0.000 0.548 110 K N 4.016 124.395 120.400 -0.035 0.000 2.598 110 K HA 0.188 4.508 4.320 -0.000 0.000 0.226 110 K C 0.753 177.325 176.600 -0.047 0.000 1.156 110 K CA -0.083 56.183 56.287 -0.035 0.000 1.122 110 K CB 0.807 33.293 32.500 -0.023 0.000 1.739 110 K HN 0.562 nan 8.250 nan 0.000 0.472 111 S N 1.421 117.081 115.700 -0.067 0.000 2.439 111 S HA -0.045 4.425 4.470 -0.000 0.000 0.224 111 S C 0.646 175.185 174.600 -0.102 0.000 1.029 111 S CA 0.701 58.841 58.200 -0.100 0.000 0.946 111 S CB 0.083 63.198 63.200 -0.142 0.000 0.797 111 S HN 0.547 nan 8.310 nan 0.000 0.504 112 K N -0.373 119.981 120.400 -0.078 0.000 3.472 112 K HA -0.152 4.168 4.320 -0.000 0.000 0.315 112 K C -0.616 175.939 176.600 -0.074 0.000 1.320 112 K CA 0.595 56.846 56.287 -0.060 0.000 0.962 112 K CB -1.693 30.784 32.500 -0.039 0.000 1.251 112 K HN 0.399 nan 8.250 nan 0.000 0.443 113 L N 0.691 121.840 121.223 -0.124 0.000 2.543 113 L HA 0.420 4.760 4.340 -0.000 0.000 0.265 113 L C -0.781 175.982 176.870 -0.180 0.000 0.945 113 L CA -0.183 54.570 54.840 -0.144 0.000 0.869 113 L CB 1.898 43.838 42.059 -0.198 0.000 1.294 113 L HN 0.080 nan 8.230 nan 0.000 0.405 114 R N 3.438 123.871 120.500 -0.112 0.000 2.803 114 R HA 0.709 5.049 4.340 -0.000 0.000 0.276 114 R C -0.858 175.406 176.300 -0.060 0.000 0.978 114 R CA -0.983 55.059 56.100 -0.097 0.000 0.939 114 R CB 2.614 32.878 30.300 -0.061 0.000 1.179 114 R HN 0.356 nan 8.270 nan 0.000 0.472 115 K N 2.006 122.377 120.400 -0.050 0.000 2.422 115 K HA 0.381 4.700 4.320 -0.000 0.000 0.251 115 K C -2.667 173.931 176.600 -0.002 0.000 0.933 115 K CA -2.132 54.151 56.287 -0.007 0.000 0.798 115 K CB 2.370 34.880 32.500 0.018 0.000 1.238 115 K HN 0.381 nan 8.250 nan 0.000 0.428 116 P HA 0.058 nan 4.420 nan 0.000 0.266 116 P C 1.086 178.396 177.300 0.017 0.000 1.215 116 P CA -0.058 63.063 63.100 0.034 0.000 0.763 116 P CB 0.084 31.817 31.700 0.056 0.000 0.806 117 I N 0.984 121.542 120.570 -0.019 0.000 2.335 117 I HA -0.153 4.017 4.170 -0.000 0.000 0.251 117 I C 0.699 176.708 176.117 -0.180 0.000 1.129 117 I CA 1.151 62.383 61.300 -0.112 0.000 1.402 117 I CB -0.907 36.988 38.000 -0.175 0.000 1.069 117 I HN 0.279 nan 8.210 nan 0.000 0.424 118 H N 2.593 121.673 119.070 0.015 0.000 2.723 118 H HA 0.734 5.290 4.556 -0.000 0.000 0.294 118 H C -0.201 175.135 175.328 0.015 0.000 1.079 118 H CA 0.115 56.174 56.048 0.018 0.000 1.411 118 H CB 0.955 30.727 29.762 0.017 0.000 1.439 118 H HN 0.496 nan 8.280 nan 0.000 0.474 119 A N 3.628 126.513 122.820 0.108 0.000 2.594 119 A HA 0.297 4.617 4.320 -0.000 0.000 0.291 119 A C -0.845 176.776 177.584 0.061 0.000 1.105 119 A CA -1.020 51.059 52.037 0.071 0.000 0.694 119 A CB 1.421 20.448 19.000 0.045 0.000 1.291 119 A HN 0.528 nan 8.150 nan 0.000 0.410 120 D N 1.875 122.303 120.400 0.047 0.000 2.389 120 D HA 0.405 5.044 4.640 -0.000 0.000 0.247 120 D C -2.287 174.036 176.300 0.038 0.000 1.128 120 D CA -0.394 53.631 54.000 0.042 0.000 0.884 120 D CB 0.380 41.200 40.800 0.034 0.000 1.194 120 D HN 0.160 nan 8.370 nan 0.000 0.441 121 P HA 0.140 nan 4.420 nan 0.000 0.268 121 P C -2.459 174.862 177.300 0.036 0.000 1.205 121 P CA -0.864 62.260 63.100 0.039 0.000 0.771 121 P CB -0.230 31.499 31.700 0.049 0.000 0.858 122 P HA -0.001 nan 4.420 nan 0.000 0.261 122 P C 0.221 177.542 177.300 0.035 0.000 1.203 122 P CA 0.189 63.302 63.100 0.021 0.000 0.767 122 P CB 0.038 31.742 31.700 0.007 0.000 0.785 123 S N 3.200 118.925 115.700 0.042 0.000 2.580 123 S HA -0.005 4.464 4.470 -0.000 0.000 0.261 123 S C 0.991 175.650 174.600 0.098 0.000 1.366 123 S CA -0.322 57.924 58.200 0.077 0.000 0.996 123 S CB -0.075 63.168 63.200 0.071 0.000 0.902 123 S HN 0.363 nan 8.310 nan 0.000 0.566 124 F N 1.391 121.339 119.950 -0.003 0.000 2.307 124 F HA 0.034 4.561 4.527 -0.000 0.000 0.301 124 F C 2.257 178.053 175.800 -0.006 0.000 1.076 124 F CA 1.174 59.170 58.000 -0.006 0.000 1.383 124 F CB -0.801 38.195 39.000 -0.006 0.000 1.055 124 F HN 0.727 nan 8.300 nan 0.000 0.526 125 A N -0.440 122.381 122.820 0.003 0.000 2.206 125 A HA -0.004 4.316 4.320 -0.000 0.000 0.211 125 A C 1.718 179.240 177.584 -0.103 0.000 1.158 125 A CA 1.232 53.231 52.037 -0.063 0.000 0.761 125 A CB -0.487 18.524 19.000 0.018 0.000 0.801 125 A HN 0.573 nan 8.150 nan 0.000 0.473 126 E N -0.831 119.312 120.200 -0.096 0.000 2.485 126 E HA 0.069 4.419 4.350 -0.000 0.000 0.213 126 E C 0.193 176.731 176.600 -0.102 0.000 0.923 126 E CA -0.402 55.950 56.400 -0.080 0.000 1.054 126 E CB 0.085 29.761 29.700 -0.040 0.000 1.077 126 E HN 0.425 nan 8.360 nan 0.000 0.509 127 Q N 1.271 120.985 119.800 -0.145 0.000 2.524 127 Q HA 0.073 4.413 4.340 -0.000 0.000 0.246 127 Q C 0.220 176.136 176.000 -0.139 0.000 1.063 127 Q CA 0.250 55.974 55.803 -0.132 0.000 0.945 127 Q CB 0.992 29.640 28.738 -0.151 0.000 1.292 127 Q HN 0.058 nan 8.270 nan 0.000 0.518 128 S N 0.034 115.677 115.700 -0.094 0.000 2.548 128 S HA 0.134 4.604 4.470 -0.000 0.000 0.277 128 S C 0.515 175.060 174.600 -0.092 0.000 1.315 128 S CA -0.222 57.929 58.200 -0.080 0.000 1.050 128 S CB 0.332 63.502 63.200 -0.050 0.000 0.918 128 S HN 0.599 nan 8.310 nan 0.000 0.497 129 T N 1.102 115.604 114.554 -0.086 0.000 3.243 129 T HA 0.432 4.782 4.350 -0.000 0.000 0.264 129 T C 0.082 174.753 174.700 -0.048 0.000 1.000 129 T CA -0.512 61.541 62.100 -0.078 0.000 0.901 129 T CB -0.198 68.617 68.868 -0.088 0.000 1.083 129 T HN 0.358 nan 8.240 nan 0.000 0.559 130 S N 0.432 116.107 115.700 -0.041 0.000 2.570 130 S HA 0.613 5.083 4.470 -0.000 0.000 0.286 130 S C -0.832 173.751 174.600 -0.029 0.000 1.143 130 S CA -0.679 57.502 58.200 -0.032 0.000 0.921 130 S CB 1.057 64.239 63.200 -0.030 0.000 1.108 130 S HN 0.700 nan 8.310 nan 0.000 0.456 131 A N 3.959 126.762 122.820 -0.028 0.000 2.454 131 A HA 0.565 4.885 4.320 -0.000 0.000 0.260 131 A C 0.147 177.717 177.584 -0.023 0.000 1.106 131 A CA -0.031 51.991 52.037 -0.025 0.000 0.780 131 A CB 0.039 19.022 19.000 -0.029 0.000 1.044 131 A HN 0.725 nan 8.150 nan 0.000 0.498 132 E N 2.860 123.051 120.200 -0.014 0.000 2.288 132 E HA 0.507 4.857 4.350 -0.000 0.000 0.268 132 E C -1.186 175.419 176.600 0.008 0.000 0.885 132 E CA -0.982 55.414 56.400 -0.006 0.000 0.767 132 E CB 1.466 31.165 29.700 -0.002 0.000 1.220 132 E HN 0.374 nan 8.360 nan 0.000 0.427 133 I N 2.623 123.201 120.570 0.013 0.000 2.352 133 I HA 0.132 4.302 4.170 -0.000 0.000 0.290 133 I C -0.062 176.096 176.117 0.069 0.000 1.036 133 I CA -0.691 60.630 61.300 0.034 0.000 1.336 133 I CB 0.632 38.640 38.000 0.014 0.000 1.407 133 I HN 0.556 nan 8.210 nan 0.000 0.497 134 L N 7.336 128.604 121.223 0.074 0.000 2.261 134 L HA 0.259 4.598 4.340 -0.000 0.000 0.289 134 L C 0.552 177.449 176.870 0.045 0.000 1.059 134 L CA -0.110 54.765 54.840 0.060 0.000 0.816 134 L CB 0.379 42.427 42.059 -0.019 0.000 1.191 134 L HN 0.528 nan 8.230 nan 0.000 0.431 135 E N 2.032 122.328 120.200 0.161 0.000 2.328 135 E HA -0.009 4.341 4.350 -0.000 0.000 0.265 135 E C 0.928 177.546 176.600 0.030 0.000 1.057 135 E CA 0.531 57.020 56.400 0.148 0.000 0.916 135 E CB 0.784 30.629 29.700 0.242 0.000 0.993 135 E HN 0.802 nan 8.360 nan 0.000 0.446 136 T N 1.137 115.636 114.554 -0.093 0.000 2.939 136 T HA 0.185 4.535 4.350 -0.000 0.000 0.254 136 T C 1.469 176.121 174.700 -0.081 0.000 1.041 136 T CA 0.720 62.698 62.100 -0.202 0.000 1.142 136 T CB 0.121 68.738 68.868 -0.418 0.000 0.874 136 T HN 0.680 nan 8.240 nan 0.000 0.452 137 G N 1.396 110.184 108.800 -0.019 0.000 2.259 137 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.217 137 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.217 137 G C 0.066 174.993 174.900 0.045 0.000 1.001 137 G CA -0.190 44.926 45.100 0.027 0.000 0.627 137 G HN 0.650 nan 8.290 nan 0.000 0.501 138 I N 2.485 123.075 120.570 0.033 0.000 2.494 138 I HA 0.169 4.339 4.170 -0.000 0.000 0.289 138 I C 1.765 177.930 176.117 0.081 0.000 1.106 138 I CA -0.078 61.291 61.300 0.114 0.000 1.369 138 I CB 0.998 39.090 38.000 0.152 0.000 1.410 138 I HN 0.095 nan 8.210 nan 0.000 0.523 139 K N 4.139 124.575 120.400 0.060 0.000 2.020 139 K HA -0.193 4.127 4.320 -0.000 0.000 0.212 139 K C 1.838 178.427 176.600 -0.018 0.000 1.050 139 K CA 1.655 57.948 56.287 0.011 0.000 0.929 139 K CB -0.216 32.273 32.500 -0.019 0.000 0.714 139 K HN 0.587 nan 8.250 nan 0.000 0.443 140 V N 0.772 120.699 119.914 0.022 0.000 2.282 140 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 140 V C 2.344 178.468 176.094 0.050 0.000 1.057 140 V CA 1.779 64.086 62.300 0.011 0.000 1.032 140 V CB -0.793 31.077 31.823 0.078 0.000 0.645 140 V HN 0.080 nan 8.190 nan 0.000 0.447 141 V N 0.540 120.530 119.914 0.126 0.000 2.261 141 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 141 V C 2.279 178.454 176.094 0.136 0.000 1.047 141 V CA 2.417 64.822 62.300 0.175 0.000 1.015 141 V CB -0.718 31.210 31.823 0.175 0.000 0.642 141 V HN 0.528 nan 8.190 nan 0.000 0.446 142 D N -0.596 119.856 120.400 0.087 0.000 2.312 142 D HA -0.071 4.569 4.640 -0.000 0.000 0.211 142 D C 1.678 178.070 176.300 0.153 0.000 0.964 142 D CA 0.681 54.751 54.000 0.117 0.000 0.877 142 D CB 0.129 40.980 40.800 0.086 0.000 0.924 142 D HN 0.383 nan 8.370 nan 0.000 0.515 143 L N -0.839 120.401 121.223 0.028 0.000 2.200 143 L HA 0.162 4.502 4.340 -0.000 0.000 0.200 143 L C 1.561 178.449 176.870 0.030 0.000 1.072 143 L CA 1.217 56.007 54.840 -0.084 0.000 0.787 143 L CB 0.086 41.939 42.059 -0.343 0.000 0.957 143 L HN -0.075 nan 8.230 nan 0.000 0.459 144 L N -0.913 120.319 121.223 0.015 0.000 2.609 144 L HA 0.444 4.784 4.340 -0.000 0.000 0.230 144 L C 0.732 177.649 176.870 0.078 0.000 1.064 144 L CA 0.473 55.329 54.840 0.027 0.000 0.873 144 L CB 0.137 42.172 42.059 -0.040 0.000 1.139 144 L HN 0.179 nan 8.230 nan 0.000 0.490 145 A N 0.869 123.757 122.820 0.113 0.000 3.410 145 A HA 0.463 4.783 4.320 -0.000 0.000 0.276 145 A C -2.635 175.075 177.584 0.211 0.000 0.995 145 A CA -0.911 51.206 52.037 0.133 0.000 0.934 145 A CB -0.258 18.816 19.000 0.122 0.000 1.191 145 A HN -0.144 nan 8.150 nan 0.000 0.511 146 P HA 0.192 nan 4.420 nan 0.000 0.272 146 P C -0.971 176.507 177.300 0.298 0.000 1.223 146 P CA 0.247 63.491 63.100 0.241 0.000 0.784 146 P CB 0.580 32.355 31.700 0.126 0.000 0.923 147 Y N 0.374 120.694 120.300 0.033 0.000 2.304 147 Y HA 0.437 4.987 4.550 -0.000 0.000 0.328 147 Y C 1.063 176.958 175.900 -0.008 0.000 1.123 147 Y CA -0.791 57.316 58.100 0.013 0.000 1.218 147 Y CB 0.433 38.893 38.460 0.001 0.000 1.207 147 Y HN 0.395 nan 8.280 nan 0.000 0.495 148 A N 4.361 127.235 122.820 0.091 0.000 2.306 148 A HA 0.500 4.820 4.320 -0.000 0.000 0.314 148 A C 0.165 177.766 177.584 0.029 0.000 1.164 148 A CA -0.968 51.093 52.037 0.039 0.000 0.822 148 A CB 0.466 19.467 19.000 0.001 0.000 1.130 148 A HN 0.814 nan 8.150 nan 0.000 0.496 149 R N 0.927 121.439 120.500 0.019 0.000 2.458 149 R HA 0.268 4.608 4.340 -0.000 0.000 0.303 149 R C 1.294 177.590 176.300 -0.007 0.000 1.013 149 R CA 1.570 57.674 56.100 0.006 0.000 1.026 149 R CB -0.123 30.183 30.300 0.010 0.000 0.948 149 R HN 1.638 nan 8.270 nan 0.000 0.417 150 G N 2.612 111.403 108.800 -0.016 0.000 2.189 150 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.267 150 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.267 150 G C 0.407 175.292 174.900 -0.024 0.000 0.975 150 G CA 0.211 45.299 45.100 -0.021 0.000 0.644 150 G HN 0.875 nan 8.290 nan 0.000 0.537 151 G N -0.730 108.054 108.800 -0.027 0.000 2.528 151 G HA2 0.592 4.551 3.960 -0.000 0.000 0.289 151 G HA3 0.592 4.551 3.960 -0.000 0.000 0.289 151 G C -0.270 174.596 174.900 -0.056 0.000 1.192 151 G CA -0.565 44.515 45.100 -0.034 0.000 0.921 151 G HN 0.340 nan 8.290 nan 0.000 0.512 152 K N -0.160 120.210 120.400 -0.050 0.000 2.240 152 K HA 0.472 4.792 4.320 -0.000 0.000 0.271 152 K C -0.797 175.740 176.600 -0.106 0.000 1.018 152 K CA -0.180 56.068 56.287 -0.065 0.000 0.874 152 K CB 1.714 34.206 32.500 -0.014 0.000 1.098 152 K HN 0.176 nan 8.250 nan 0.000 0.458 153 I N 2.285 122.747 120.570 -0.180 0.000 2.354 153 I HA 0.256 4.426 4.170 -0.000 0.000 0.286 153 I C 0.531 176.554 176.117 -0.158 0.000 1.007 153 I CA -0.244 60.895 61.300 -0.268 0.000 1.167 153 I CB 1.697 39.281 38.000 -0.694 0.000 1.320 153 I HN 0.646 nan 8.210 nan 0.000 0.458 154 G N 6.607 115.355 108.800 -0.087 0.000 2.360 154 G HA2 0.434 4.394 3.960 -0.000 0.000 0.279 154 G HA3 0.434 4.394 3.960 -0.000 0.000 0.279 154 G C -0.716 174.055 174.900 -0.215 0.000 1.189 154 G CA -0.307 44.714 45.100 -0.133 0.000 0.941 154 G HN 0.478 nan 8.290 nan 0.000 0.445 155 L N 3.074 124.153 121.223 -0.239 0.000 2.307 155 L HA 0.775 5.115 4.340 -0.000 0.000 0.282 155 L C -1.043 175.625 176.870 -0.337 0.000 1.051 155 L CA -0.715 54.043 54.840 -0.137 0.000 0.804 155 L CB 0.683 42.777 42.059 0.059 0.000 1.197 155 L HN 0.378 nan 8.230 nan 0.000 0.431 156 F N 3.001 122.963 119.950 0.020 0.000 2.538 156 F HA 0.851 5.378 4.527 -0.000 0.000 0.325 156 F C 0.739 176.525 175.800 -0.024 0.000 1.066 156 F CA -0.041 57.963 58.000 0.007 0.000 0.946 156 F CB 2.189 41.191 39.000 0.003 0.000 1.199 156 F HN 0.715 nan 8.300 nan 0.000 0.473 157 G N 0.677 109.591 108.800 0.190 0.000 2.841 157 G HA2 0.318 4.278 3.960 -0.000 0.000 0.684 157 G HA3 0.318 4.278 3.960 -0.000 0.000 0.684 157 G C 0.021 174.959 174.900 0.063 0.000 1.273 157 G CA -0.611 44.541 45.100 0.086 0.000 0.811 157 G HN 1.088 nan 8.290 nan 0.000 0.631 158 G N 0.656 109.481 108.800 0.042 0.000 2.622 158 G HA2 0.740 4.700 3.960 -0.000 0.000 0.206 158 G HA3 0.740 4.700 3.960 -0.000 0.000 0.206 158 G C 0.855 175.791 174.900 0.060 0.000 1.458 158 G CA 1.983 47.111 45.100 0.047 0.000 0.919 158 G HN 2.244 nan 8.290 nan 0.000 0.508 159 A N -3.677 119.174 122.820 0.051 0.000 2.524 159 A HA 0.655 4.975 4.320 -0.000 0.000 0.286 159 A C 0.959 178.571 177.584 0.047 0.000 1.203 159 A CA 0.363 52.432 52.037 0.052 0.000 0.736 159 A CB 0.572 19.602 19.000 0.051 0.000 1.322 159 A HN 2.236 nan 8.150 nan 0.000 0.424 160 G N -1.839 106.992 108.800 0.052 0.000 2.155 160 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.257 160 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.257 160 G C 0.736 175.681 174.900 0.076 0.000 0.983 160 G CA 1.269 46.406 45.100 0.060 0.000 0.676 160 G HN 2.129 nan 8.290 nan 0.000 0.528 161 V N -3.416 116.545 119.914 0.078 0.000 3.605 161 V HA 0.660 4.780 4.120 -0.000 0.000 0.284 161 V C 1.820 178.003 176.094 0.148 0.000 1.386 161 V CA 0.963 63.310 62.300 0.078 0.000 1.053 161 V CB 0.117 31.962 31.823 0.037 0.000 0.857 161 V HN 2.126 nan 8.190 nan 0.000 0.436 162 G N 1.386 110.279 108.800 0.156 0.000 2.149 162 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.235 162 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.235 162 G C 0.766 175.755 174.900 0.148 0.000 1.018 162 G CA 0.749 45.956 45.100 0.178 0.000 0.728 162 G HN 0.585 nan 8.290 nan 0.000 0.508 163 K N 0.046 120.511 120.400 0.108 0.000 2.001 163 K HA -0.208 4.112 4.320 -0.000 0.000 0.214 163 K C 2.957 179.630 176.600 0.121 0.000 1.050 163 K CA 2.727 59.087 56.287 0.121 0.000 0.934 163 K CB -0.483 32.079 32.500 0.103 0.000 0.718 163 K HN 0.626 nan 8.250 nan 0.000 0.443 164 T N -1.074 113.506 114.554 0.043 0.000 2.699 164 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 164 T C 1.987 176.647 174.700 -0.066 0.000 1.036 164 T CA 1.667 63.743 62.100 -0.040 0.000 1.147 164 T CB -0.727 68.098 68.868 -0.073 0.000 0.862 164 T HN 0.040 nan 8.240 nan 0.000 0.446 165 V N 0.687 120.583 119.914 -0.029 0.000 2.323 165 V HA 0.001 4.121 4.120 -0.000 0.000 0.244 165 V C 2.139 178.159 176.094 -0.122 0.000 1.041 165 V CA 1.653 63.916 62.300 -0.061 0.000 1.025 165 V CB -0.883 30.929 31.823 -0.017 0.000 0.656 165 V HN 0.475 nan 8.190 nan 0.000 0.451 166 F N 0.425 120.268 119.950 -0.179 0.000 2.154 166 F HA -0.237 4.290 4.527 -0.000 0.000 0.301 166 F C 2.024 177.714 175.800 -0.183 0.000 1.087 166 F CA 1.828 59.687 58.000 -0.235 0.000 1.274 166 F CB -0.157 38.824 39.000 -0.032 0.000 1.009 166 F HN 0.080 nan 8.300 nan 0.000 0.485 167 I N -0.112 120.450 120.570 -0.013 0.000 2.202 167 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 167 I C 2.264 178.171 176.117 -0.350 0.000 1.091 167 I CA 1.413 62.593 61.300 -0.201 0.000 1.368 167 I CB -0.506 37.329 38.000 -0.275 0.000 1.058 167 I HN 0.151 nan 8.210 nan 0.000 0.410 168 Q N -0.128 119.502 119.800 -0.283 0.000 2.364 168 Q HA -0.229 4.111 4.340 -0.000 0.000 0.207 168 Q C 1.887 177.758 176.000 -0.214 0.000 0.970 168 Q CA 1.036 56.701 55.803 -0.229 0.000 0.888 168 Q CB 0.071 28.711 28.738 -0.163 0.000 0.951 168 Q HN 0.344 nan 8.270 nan 0.000 0.469 169 E N 0.625 120.626 120.200 -0.332 0.000 2.122 169 E HA -0.051 4.299 4.350 -0.000 0.000 0.190 169 E C 1.627 178.038 176.600 -0.314 0.000 0.977 169 E CA 0.504 56.678 56.400 -0.376 0.000 0.820 169 E CB -0.060 29.180 29.700 -0.767 0.000 0.770 169 E HN 0.251 nan 8.360 nan 0.000 0.462 170 L N 0.355 121.363 121.223 -0.358 0.000 2.012 170 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 170 L C 2.398 179.263 176.870 -0.009 0.000 1.073 170 L CA 1.254 55.983 54.840 -0.184 0.000 0.748 170 L CB -0.397 41.668 42.059 0.010 0.000 0.891 170 L HN 0.268 nan 8.230 nan 0.000 0.431 171 I N -0.112 120.473 120.570 0.025 0.000 2.127 171 I HA -0.374 3.796 4.170 -0.000 0.000 0.241 171 I C 2.295 178.422 176.117 0.016 0.000 1.075 171 I CA 1.932 63.272 61.300 0.065 0.000 1.334 171 I CB -0.360 37.634 38.000 -0.010 0.000 1.040 171 I HN 0.379 nan 8.210 nan 0.000 0.405 172 N N 0.928 119.610 118.700 -0.030 0.000 2.142 172 N HA -0.168 4.572 4.740 -0.000 0.000 0.186 172 N C 1.556 177.062 175.510 -0.008 0.000 1.023 172 N CA 1.505 54.548 53.050 -0.012 0.000 0.852 172 N CB -0.049 38.424 38.487 -0.023 0.000 0.998 172 N HN 0.184 nan 8.380 nan 0.000 0.424 173 N N 0.214 118.892 118.700 -0.036 0.000 2.188 173 N HA -0.054 4.686 4.740 -0.000 0.000 0.184 173 N C 1.212 176.725 175.510 0.004 0.000 1.018 173 N CA 0.670 53.710 53.050 -0.016 0.000 0.858 173 N CB -0.197 38.258 38.487 -0.052 0.000 0.989 173 N HN 0.305 nan 8.380 nan 0.000 0.426 174 I N 0.601 121.138 120.570 -0.055 0.000 2.676 174 I HA 0.002 4.172 4.170 -0.000 0.000 0.259 174 I C 1.930 178.017 176.117 -0.051 0.000 1.194 174 I CA 0.299 61.537 61.300 -0.103 0.000 1.473 174 I CB -1.319 36.583 38.000 -0.162 0.000 1.096 174 I HN 0.014 nan 8.210 nan 0.000 0.443 175 A N 0.307 123.112 122.820 -0.025 0.000 1.935 175 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 175 A C 2.348 179.924 177.584 -0.014 0.000 1.178 175 A CA 0.964 52.980 52.037 -0.036 0.000 0.640 175 A CB -0.180 18.862 19.000 0.069 0.000 0.825 175 A HN 0.197 nan 8.150 nan 0.000 0.447 176 K N -0.487 119.924 120.400 0.019 0.000 2.137 176 K HA 0.226 4.546 4.320 -0.000 0.000 0.202 176 K C 1.825 178.439 176.600 0.022 0.000 1.052 176 K CA 1.198 57.500 56.287 0.024 0.000 0.961 176 K CB -0.133 32.384 32.500 0.029 0.000 0.741 176 K HN 0.355 nan 8.250 nan 0.000 0.452 177 A N -1.065 121.791 122.820 0.060 0.000 1.973 177 A HA 0.069 4.389 4.320 -0.000 0.000 0.210 177 A C 1.562 179.130 177.584 -0.027 0.000 1.200 177 A CA 0.614 52.678 52.037 0.045 0.000 0.707 177 A CB -0.278 18.792 19.000 0.117 0.000 0.862 177 A HN 0.304 nan 8.150 nan 0.000 0.461 178 H N -1.612 117.412 119.070 -0.075 0.000 2.681 178 H HA 0.248 4.804 4.556 -0.000 0.000 0.268 178 H C 1.348 176.595 175.328 -0.136 0.000 0.967 178 H CA 0.491 56.486 56.048 -0.089 0.000 1.233 178 H CB 0.601 30.312 29.762 -0.085 0.000 1.445 178 H HN 0.628 nan 8.280 nan 0.000 0.494 179 G N 1.223 109.987 108.800 -0.059 0.000 2.171 179 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.238 179 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.238 179 G C 0.409 175.036 174.900 -0.454 0.000 1.039 179 G CA 0.147 45.094 45.100 -0.255 0.000 0.759 179 G HN 0.625 nan 8.290 nan 0.000 0.501 180 G N -0.187 108.413 108.800 -0.333 0.000 2.468 180 G HA2 0.659 4.619 3.960 -0.000 0.000 0.320 180 G HA3 0.659 4.619 3.960 -0.000 0.000 0.320 180 G C 0.099 174.802 174.900 -0.328 0.000 1.137 180 G CA -0.811 44.082 45.100 -0.345 0.000 0.984 180 G HN 0.212 nan 8.290 nan 0.000 0.462 181 F N 1.165 120.986 119.950 -0.214 0.000 2.472 181 F HA 0.527 5.054 4.527 -0.000 0.000 0.312 181 F C 1.153 176.828 175.800 -0.207 0.000 1.256 181 F CA -0.235 57.596 58.000 -0.280 0.000 1.275 181 F CB 0.828 39.492 39.000 -0.559 0.000 1.228 181 F HN 0.261 nan 8.300 nan 0.000 0.567 182 S N -0.610 115.154 115.700 0.107 0.000 2.599 182 S HA 0.764 5.234 4.470 -0.000 0.000 0.287 182 S C -1.282 173.437 174.600 0.199 0.000 1.105 182 S CA -0.789 57.515 58.200 0.174 0.000 0.899 182 S CB 2.278 65.665 63.200 0.312 0.000 1.100 182 S HN 0.271 nan 8.310 nan 0.000 0.482 183 V N 2.296 122.366 119.914 0.259 0.000 2.487 183 V HA 0.480 4.600 4.120 -0.000 0.000 0.298 183 V C -1.248 175.061 176.094 0.358 0.000 1.028 183 V CA -0.622 61.830 62.300 0.252 0.000 0.860 183 V CB 1.225 33.163 31.823 0.192 0.000 0.991 183 V HN 0.831 nan 8.190 nan 0.000 0.427 184 F N 3.762 123.821 119.950 0.182 0.000 2.334 184 F HA 0.548 5.075 4.527 -0.000 0.000 0.367 184 F C 0.518 176.409 175.800 0.152 0.000 1.115 184 F CA 0.001 58.126 58.000 0.208 0.000 1.116 184 F CB 1.058 40.121 39.000 0.105 0.000 1.230 184 F HN 0.490 nan 8.300 nan 0.000 0.484 185 T N 4.881 119.302 114.554 -0.223 0.000 2.744 185 T HA 0.411 4.761 4.350 -0.000 0.000 0.291 185 T C 0.385 174.923 174.700 -0.269 0.000 0.957 185 T CA -0.479 61.534 62.100 -0.144 0.000 1.002 185 T CB 1.055 69.861 68.868 -0.103 0.000 0.919 185 T HN 0.804 nan 8.240 nan 0.000 0.468 186 G N 2.671 111.529 108.800 0.097 0.000 2.696 186 G HA2 0.466 4.426 3.960 -0.000 0.000 0.329 186 G HA3 0.466 4.426 3.960 -0.000 0.000 0.329 186 G C -0.116 174.853 174.900 0.116 0.000 0.973 186 G CA -0.447 44.754 45.100 0.168 0.000 1.257 186 G HN 0.672 nan 8.290 nan 0.000 0.456 187 V N 2.369 122.303 119.914 0.035 0.000 2.427 187 V HA 0.474 4.594 4.120 -0.000 0.000 0.268 187 V C 1.382 177.508 176.094 0.054 0.000 1.046 187 V CA 0.665 62.997 62.300 0.053 0.000 0.970 187 V CB 0.530 32.387 31.823 0.056 0.000 1.001 187 V HN 1.215 nan 8.190 nan 0.000 0.476 188 G N 3.780 112.609 108.800 0.048 0.000 2.338 188 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.296 188 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.296 188 G C -0.007 174.907 174.900 0.023 0.000 1.040 188 G CA 0.489 45.603 45.100 0.024 0.000 1.004 188 G HN 0.922 nan 8.290 nan 0.000 0.509 189 E N -0.213 119.999 120.200 0.022 0.000 2.390 189 E HA 0.469 4.819 4.350 -0.000 0.000 0.261 189 E C 0.991 177.571 176.600 -0.034 0.000 1.076 189 E CA -0.496 55.897 56.400 -0.013 0.000 0.905 189 E CB 0.371 30.017 29.700 -0.089 0.000 0.984 189 E HN 0.461 nan 8.360 nan 0.000 0.427 190 R N 2.906 123.386 120.500 -0.035 0.000 2.267 190 R HA 0.129 4.469 4.340 -0.000 0.000 0.319 190 R C 0.908 177.157 176.300 -0.085 0.000 1.067 190 R CA 0.104 56.182 56.100 -0.037 0.000 0.936 190 R CB 0.577 30.871 30.300 -0.010 0.000 1.006 190 R HN 0.670 nan 8.270 nan 0.000 0.452 191 T N 2.204 116.715 114.554 -0.072 0.000 2.665 191 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 191 T C 1.784 176.435 174.700 -0.080 0.000 1.035 191 T CA 1.394 63.440 62.100 -0.089 0.000 1.151 191 T CB -0.140 68.706 68.868 -0.037 0.000 0.862 191 T HN 0.557 nan 8.240 nan 0.000 0.438 192 R N 0.993 121.467 120.500 -0.042 0.000 2.096 192 R HA -0.160 4.180 4.340 -0.000 0.000 0.240 192 R C 2.148 178.427 176.300 -0.035 0.000 1.139 192 R CA 1.906 57.993 56.100 -0.023 0.000 0.952 192 R CB -0.163 30.133 30.300 -0.007 0.000 0.854 192 R HN 0.500 nan 8.270 nan 0.000 0.436 193 E N -1.452 118.716 120.200 -0.053 0.000 2.427 193 E HA -0.035 4.315 4.350 -0.000 0.000 0.196 193 E C 1.636 178.164 176.600 -0.119 0.000 1.028 193 E CA 0.526 56.892 56.400 -0.055 0.000 0.864 193 E CB 0.209 29.893 29.700 -0.027 0.000 0.813 193 E HN 0.578 nan 8.360 nan 0.000 0.514 194 G N 1.553 110.213 108.800 -0.235 0.000 2.404 194 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.213 194 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.213 194 G C 1.447 176.285 174.900 -0.104 0.000 1.189 194 G CA 0.309 45.129 45.100 -0.468 0.000 0.796 194 G HN 0.190 nan 8.290 nan 0.000 0.532 195 N N 1.111 119.795 118.700 -0.027 0.000 2.192 195 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 195 N C 1.360 176.927 175.510 0.095 0.000 1.013 195 N CA 1.639 54.743 53.050 0.090 0.000 0.863 195 N CB -0.127 38.394 38.487 0.056 0.000 0.990 195 N HN 0.170 nan 8.380 nan 0.000 0.430 196 D N 0.291 120.713 120.400 0.037 0.000 2.183 196 D HA -0.063 4.577 4.640 -0.000 0.000 0.205 196 D C 1.908 178.224 176.300 0.028 0.000 0.962 196 D CA 0.199 54.216 54.000 0.029 0.000 0.849 196 D CB -0.310 40.494 40.800 0.007 0.000 0.978 196 D HN 0.200 nan 8.370 nan 0.000 0.488 197 L N -0.093 121.140 121.223 0.017 0.000 2.056 197 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 197 L C 2.146 179.066 176.870 0.085 0.000 1.078 197 L CA 1.435 56.270 54.840 -0.009 0.000 0.749 197 L CB -0.691 41.306 42.059 -0.102 0.000 0.901 197 L HN -0.001 nan 8.230 nan 0.000 0.433 198 Y N 0.435 120.770 120.300 0.058 0.000 2.181 198 Y HA -0.241 4.309 4.550 -0.000 0.000 0.288 198 Y C 2.854 178.778 175.900 0.039 0.000 1.146 198 Y CA 2.080 60.228 58.100 0.080 0.000 1.164 198 Y CB -0.322 38.233 38.460 0.159 0.000 0.982 198 Y HN 0.182 nan 8.280 nan 0.000 0.515 199 R N 0.309 120.789 120.500 -0.033 0.000 2.148 199 R HA -0.159 4.181 4.340 -0.000 0.000 0.227 199 R C 2.150 178.407 176.300 -0.071 0.000 1.103 199 R CA 1.554 57.584 56.100 -0.116 0.000 0.983 199 R CB -0.221 30.069 30.300 -0.018 0.000 0.874 199 R HN 0.525 nan 8.270 nan 0.000 0.451 200 E N -0.447 119.744 120.200 -0.015 0.000 2.385 200 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 200 E C 1.620 178.220 176.600 0.002 0.000 1.013 200 E CA 0.310 56.729 56.400 0.031 0.000 0.866 200 E CB 0.227 29.947 29.700 0.033 0.000 0.832 200 E HN 0.338 nan 8.360 nan 0.000 0.500 201 M N -0.184 119.387 119.600 -0.049 0.000 2.435 201 M HA 0.022 4.502 4.480 -0.000 0.000 0.265 201 M C 1.887 178.138 176.300 -0.082 0.000 1.104 201 M CA 0.761 56.028 55.300 -0.056 0.000 1.140 201 M CB 0.298 32.876 32.600 -0.036 0.000 1.372 201 M HN -0.083 nan 8.290 nan 0.000 0.456 202 K N 0.281 120.587 120.400 -0.156 0.000 2.217 202 K HA -0.085 4.235 4.320 -0.000 0.000 0.202 202 K C 1.552 178.088 176.600 -0.108 0.000 1.051 202 K CA 0.969 57.154 56.287 -0.171 0.000 0.952 202 K CB 0.084 32.408 32.500 -0.294 0.000 0.736 202 K HN 0.398 nan 8.250 nan 0.000 0.453 203 E N -0.222 119.929 120.200 -0.082 0.000 2.170 203 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 203 E C 1.754 178.323 176.600 -0.052 0.000 0.981 203 E CA 0.882 57.239 56.400 -0.073 0.000 0.830 203 E CB 0.180 29.841 29.700 -0.066 0.000 0.775 203 E HN 0.068 nan 8.360 nan 0.000 0.470 204 T N -1.584 112.970 114.554 -0.001 0.000 3.067 204 T HA 0.080 4.430 4.350 -0.000 0.000 0.261 204 T C 1.258 175.959 174.700 0.001 0.000 1.110 204 T CA 1.138 63.257 62.100 0.031 0.000 1.113 204 T CB 0.091 69.003 68.868 0.074 0.000 0.917 204 T HN 0.437 nan 8.240 nan 0.000 0.499 205 G N 0.030 108.818 108.800 -0.020 0.000 2.339 205 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.209 205 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.209 205 G C 1.242 176.133 174.900 -0.015 0.000 1.015 205 G CA 0.502 45.590 45.100 -0.019 0.000 0.635 205 G HN 0.966 nan 8.290 nan 0.000 0.499 206 V N -0.615 119.289 119.914 -0.016 0.000 2.867 206 V HA 0.421 4.541 4.120 -0.000 0.000 0.260 206 V C 1.119 177.207 176.094 -0.011 0.000 1.099 206 V CA 1.519 63.812 62.300 -0.012 0.000 1.122 206 V CB -0.335 31.473 31.823 -0.026 0.000 0.708 206 V HN 0.486 nan 8.190 nan 0.000 0.490 207 I N 1.789 122.347 120.570 -0.020 0.000 2.447 207 I HA 0.493 4.663 4.170 -0.000 0.000 0.287 207 I C -0.711 175.386 176.117 -0.034 0.000 1.023 207 I CA -0.328 60.964 61.300 -0.013 0.000 1.083 207 I CB 1.709 39.716 38.000 0.012 0.000 1.245 207 I HN 0.142 nan 8.210 nan 0.000 0.434 208 N N 6.455 125.141 118.700 -0.024 0.000 2.448 208 N HA 0.411 5.151 4.740 -0.000 0.000 0.279 208 N C 0.141 175.640 175.510 -0.018 0.000 1.025 208 N CA -0.502 52.532 53.050 -0.028 0.000 0.898 208 N CB 1.648 40.121 38.487 -0.023 0.000 1.303 208 N HN 0.555 nan 8.380 nan 0.000 0.495 209 L N 1.863 123.074 121.223 -0.019 0.000 2.072 209 L HA 0.047 4.387 4.340 -0.000 0.000 0.205 209 L C 1.833 178.701 176.870 -0.002 0.000 1.079 209 L CA 1.009 55.848 54.840 -0.001 0.000 0.752 209 L CB -0.051 42.010 42.059 0.004 0.000 0.906 209 L HN 0.661 nan 8.230 nan 0.000 0.436 210 E N -0.298 119.898 120.200 -0.008 0.000 2.072 210 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 210 E C 1.434 178.029 176.600 -0.008 0.000 0.982 210 E CA 0.779 57.175 56.400 -0.007 0.000 0.803 210 E CB -0.002 29.693 29.700 -0.008 0.000 0.755 210 E HN 0.477 nan 8.360 nan 0.000 0.453 211 G N 0.177 108.970 108.800 -0.011 0.000 2.783 211 G HA2 0.124 4.084 3.960 -0.000 0.000 0.182 211 G HA3 0.124 4.084 3.960 -0.000 0.000 0.182 211 G C -0.148 174.742 174.900 -0.018 0.000 1.516 211 G CA -0.346 44.747 45.100 -0.011 0.000 1.079 211 G HN -0.000 nan 8.290 nan 0.000 0.573 212 E N -1.565 118.622 120.200 -0.022 0.000 2.284 212 E HA 0.679 5.029 4.350 -0.000 0.000 0.255 212 E C -0.618 175.950 176.600 -0.053 0.000 1.052 212 E CA -0.294 56.078 56.400 -0.046 0.000 0.904 212 E CB 1.784 31.457 29.700 -0.046 0.000 1.217 212 E HN 0.317 nan 8.360 nan 0.000 0.438 213 S N -0.243 115.395 115.700 -0.103 0.000 2.546 213 S HA 0.344 4.814 4.470 -0.000 0.000 0.274 213 S C -0.285 174.230 174.600 -0.142 0.000 1.121 213 S CA -0.849 57.298 58.200 -0.087 0.000 0.887 213 S CB 1.544 64.707 63.200 -0.060 0.000 1.094 213 S HN 0.385 nan 8.310 nan 0.000 0.474 214 K N 0.366 120.750 120.400 -0.027 0.000 2.353 214 K HA 0.383 4.703 4.320 -0.000 0.000 0.195 214 K C -0.185 176.461 176.600 0.075 0.000 1.031 214 K CA 0.210 56.549 56.287 0.087 0.000 1.079 214 K CB 0.851 33.432 32.500 0.136 0.000 0.857 214 K HN 0.273 nan 8.250 nan 0.000 0.535 215 V N 0.508 120.434 119.914 0.021 0.000 2.888 215 V HA 0.658 4.778 4.120 -0.000 0.000 0.309 215 V C -1.738 174.384 176.094 0.046 0.000 1.114 215 V CA -0.916 61.420 62.300 0.060 0.000 0.940 215 V CB 1.891 33.761 31.823 0.078 0.000 1.021 215 V HN 0.128 nan 8.190 nan 0.000 0.426 216 A N 6.362 129.233 122.820 0.086 0.000 2.312 216 A HA 0.888 5.208 4.320 -0.000 0.000 0.326 216 A C -1.057 176.554 177.584 0.045 0.000 1.172 216 A CA -0.594 51.482 52.037 0.065 0.000 0.821 216 A CB 0.956 20.026 19.000 0.117 0.000 1.166 216 A HN 0.857 nan 8.150 nan 0.000 0.493 217 L N 2.502 123.679 121.223 -0.076 0.000 2.325 217 L HA 0.520 4.860 4.340 -0.000 0.000 0.281 217 L C -1.056 175.593 176.870 -0.368 0.000 1.004 217 L CA -0.720 53.980 54.840 -0.235 0.000 0.823 217 L CB 1.883 43.666 42.059 -0.461 0.000 1.236 217 L HN 0.419 nan 8.230 nan 0.000 0.415 218 V N 3.815 123.567 119.914 -0.270 0.000 2.376 218 V HA 0.412 4.532 4.120 -0.000 0.000 0.287 218 V C -0.553 175.497 176.094 -0.073 0.000 1.015 218 V CA -0.461 61.720 62.300 -0.198 0.000 0.834 218 V CB 1.273 33.059 31.823 -0.062 0.000 1.001 218 V HN 0.337 nan 8.190 nan 0.000 0.428 219 F N 2.233 122.208 119.950 0.042 0.000 2.404 219 F HA 0.723 5.250 4.527 -0.000 0.000 0.339 219 F C 1.035 176.849 175.800 0.024 0.000 1.105 219 F CA -1.520 56.509 58.000 0.048 0.000 1.087 219 F CB 1.815 40.844 39.000 0.048 0.000 1.143 219 F HN 0.489 nan 8.300 nan 0.000 0.491 220 G N 2.750 111.689 108.800 0.230 0.000 4.943 220 G HA2 0.336 4.296 3.960 -0.000 0.000 0.315 220 G HA3 0.336 4.296 3.960 -0.000 0.000 0.315 220 G C -0.328 174.627 174.900 0.090 0.000 1.437 220 G CA -0.505 44.669 45.100 0.123 0.000 1.027 220 G HN 0.594 nan 8.290 nan 0.000 0.567 221 Q N 0.043 119.895 119.800 0.087 0.000 2.469 221 Q HA 0.007 4.347 4.340 -0.000 0.000 0.317 221 Q C 1.688 177.699 176.000 0.019 0.000 1.224 221 Q CA 0.566 56.390 55.803 0.035 0.000 1.014 221 Q CB 0.803 29.555 28.738 0.024 0.000 1.297 221 Q HN 0.426 nan 8.270 nan 0.000 0.456 222 M N 1.231 120.833 119.600 0.003 0.000 2.132 222 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 222 M C 1.395 177.691 176.300 -0.005 0.000 1.065 222 M CA 1.222 56.520 55.300 -0.004 0.000 1.122 222 M CB -0.226 32.370 32.600 -0.007 0.000 1.365 222 M HN 0.697 nan 8.290 nan 0.000 0.411 223 N N 0.448 119.147 118.700 -0.001 0.000 2.515 223 N HA -0.037 4.703 4.740 -0.000 0.000 0.191 223 N C -0.279 175.232 175.510 0.001 0.000 1.182 223 N CA 0.363 53.412 53.050 -0.002 0.000 0.879 223 N CB -0.357 38.130 38.487 0.000 0.000 0.984 223 N HN 0.390 nan 8.380 nan 0.000 0.453 224 E N 1.520 121.724 120.200 0.006 0.000 2.349 224 E HA 0.246 4.596 4.350 -0.000 0.000 0.265 224 E C -2.180 174.420 176.600 -0.000 0.000 1.064 224 E CA -1.988 54.417 56.400 0.009 0.000 0.886 224 E CB 0.842 30.554 29.700 0.020 0.000 1.036 224 E HN 0.240 nan 8.360 nan 0.000 0.413 225 P HA -0.003 nan 4.420 nan 0.000 0.272 225 P C -2.204 175.089 177.300 -0.012 0.000 1.230 225 P CA -1.137 61.958 63.100 -0.008 0.000 0.788 225 P CB 0.184 31.882 31.700 -0.004 0.000 0.949 226 P HA -0.187 nan 4.420 nan 0.000 0.217 226 P C 1.630 178.915 177.300 -0.025 0.000 1.148 226 P CA 1.913 64.989 63.100 -0.039 0.000 0.828 226 P CB -0.622 31.044 31.700 -0.055 0.000 0.783 227 G N 0.537 109.332 108.800 -0.009 0.000 2.418 227 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 227 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 227 G C 1.797 176.712 174.900 0.025 0.000 1.158 227 G CA 0.999 46.105 45.100 0.010 0.000 0.771 227 G HN 0.368 nan 8.290 nan 0.000 0.545 228 A N 0.412 123.245 122.820 0.022 0.000 1.969 228 A HA 0.088 4.408 4.320 -0.000 0.000 0.218 228 A C 2.401 180.008 177.584 0.037 0.000 1.169 228 A CA 1.470 53.525 52.037 0.030 0.000 0.635 228 A CB -0.284 18.732 19.000 0.026 0.000 0.810 228 A HN 0.331 nan 8.150 nan 0.000 0.445 229 R N -0.857 119.659 120.500 0.026 0.000 2.193 229 R HA 0.122 4.462 4.340 -0.000 0.000 0.213 229 R C 2.072 178.414 176.300 0.069 0.000 1.055 229 R CA 0.848 56.969 56.100 0.036 0.000 0.995 229 R CB -0.179 30.123 30.300 0.003 0.000 0.893 229 R HN 0.480 nan 8.270 nan 0.000 0.459 230 A N 0.126 122.975 122.820 0.047 0.000 2.123 230 A HA 0.038 4.357 4.320 -0.000 0.000 0.214 230 A C 1.580 179.271 177.584 0.179 0.000 1.152 230 A CA 0.650 52.731 52.037 0.073 0.000 0.728 230 A CB 0.206 19.189 19.000 -0.029 0.000 0.814 230 A HN 0.018 nan 8.150 nan 0.000 0.464 231 R N -0.757 119.807 120.500 0.107 0.000 2.316 231 R HA 0.083 4.423 4.340 -0.000 0.000 0.201 231 R C 1.890 178.199 176.300 0.015 0.000 0.888 231 R CA 1.218 57.352 56.100 0.057 0.000 1.041 231 R CB -0.969 29.357 30.300 0.043 0.000 1.115 231 R HN 0.462 nan 8.270 nan 0.000 0.559 232 V N -0.383 119.553 119.914 0.037 0.000 2.332 232 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 232 V C 2.410 178.494 176.094 -0.016 0.000 1.055 232 V CA 1.806 64.115 62.300 0.016 0.000 1.038 232 V CB -1.379 30.469 31.823 0.042 0.000 0.651 232 V HN 0.129 nan 8.190 nan 0.000 0.450 233 A N 1.173 123.982 122.820 -0.018 0.000 1.927 233 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 233 A C 2.271 179.776 177.584 -0.131 0.000 1.185 233 A CA 2.603 54.566 52.037 -0.123 0.000 0.639 233 A CB -0.747 18.082 19.000 -0.284 0.000 0.820 233 A HN 0.609 nan 8.150 nan 0.000 0.451 234 L N -1.355 119.806 121.223 -0.103 0.000 2.109 234 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 234 L C 2.765 179.575 176.870 -0.100 0.000 1.086 234 L CA 1.512 56.279 54.840 -0.121 0.000 0.760 234 L CB -1.062 40.886 42.059 -0.185 0.000 0.910 234 L HN 0.319 nan 8.230 nan 0.000 0.437 235 T N 0.154 114.660 114.554 -0.081 0.000 2.652 235 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 235 T C 1.909 176.586 174.700 -0.039 0.000 1.039 235 T CA 1.630 63.695 62.100 -0.058 0.000 1.153 235 T CB -0.715 68.129 68.868 -0.039 0.000 0.863 235 T HN 0.561 nan 8.240 nan 0.000 0.428 236 G N 1.570 110.351 108.800 -0.033 0.000 2.459 236 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 236 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 236 G C 1.542 176.441 174.900 -0.002 0.000 1.183 236 G CA 1.066 46.159 45.100 -0.011 0.000 0.776 236 G HN 0.434 nan 8.290 nan 0.000 0.552 237 L N 0.782 121.983 121.223 -0.036 0.000 2.043 237 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 237 L C 2.830 179.702 176.870 0.002 0.000 1.075 237 L CA 2.761 57.583 54.840 -0.030 0.000 0.752 237 L CB -0.992 41.026 42.059 -0.069 0.000 0.891 237 L HN 0.199 nan 8.230 nan 0.000 0.432 238 T N -0.126 114.422 114.554 -0.010 0.000 2.777 238 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 238 T C 1.917 176.635 174.700 0.030 0.000 1.040 238 T CA 1.829 63.931 62.100 0.004 0.000 1.141 238 T CB -0.277 68.578 68.868 -0.022 0.000 0.868 238 T HN 0.380 nan 8.240 nan 0.000 0.444 239 I N 1.386 121.971 120.570 0.025 0.000 2.208 239 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 239 I C 2.842 179.063 176.117 0.173 0.000 1.097 239 I CA 1.212 62.535 61.300 0.038 0.000 1.363 239 I CB -0.503 37.535 38.000 0.062 0.000 1.051 239 I HN 0.164 nan 8.210 nan 0.000 0.413 240 A N 0.047 122.991 122.820 0.206 0.000 2.067 240 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 240 A C 2.205 179.911 177.584 0.204 0.000 1.158 240 A CA 1.299 53.497 52.037 0.267 0.000 0.661 240 A CB -0.439 18.651 19.000 0.149 0.000 0.801 240 A HN 0.449 nan 8.150 nan 0.000 0.452 241 E N -2.046 118.228 120.200 0.125 0.000 2.170 241 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 241 E C 1.612 178.259 176.600 0.079 0.000 0.981 241 E CA 0.598 57.047 56.400 0.083 0.000 0.830 241 E CB -0.154 29.574 29.700 0.047 0.000 0.775 241 E HN 0.790 nan 8.360 nan 0.000 0.470 242 Y N -0.023 120.242 120.300 -0.060 0.000 2.200 242 Y HA -0.214 4.336 4.550 -0.000 0.000 0.290 242 Y C 1.576 177.411 175.900 -0.109 0.000 1.137 242 Y CA 1.373 59.389 58.100 -0.140 0.000 1.163 242 Y CB -0.069 38.223 38.460 -0.280 0.000 0.988 242 Y HN -0.027 nan 8.280 nan 0.000 0.518 243 F N 0.176 120.232 119.950 0.176 0.000 2.408 243 F HA -0.091 4.436 4.527 -0.000 0.000 0.300 243 F C 2.531 178.332 175.800 0.002 0.000 1.090 243 F CA 1.442 59.512 58.000 0.116 0.000 1.427 243 F CB -0.497 38.613 39.000 0.184 0.000 1.070 243 F HN 0.029 nan 8.300 nan 0.000 0.549 244 R N 0.497 121.076 120.500 0.131 0.000 2.041 244 R HA -0.066 4.274 4.340 -0.000 0.000 0.221 244 R C 1.732 178.008 176.300 -0.040 0.000 1.196 244 R CA 1.473 57.600 56.100 0.044 0.000 0.969 244 R CB -0.320 30.003 30.300 0.038 0.000 0.858 244 R HN 0.054 nan 8.270 nan 0.000 0.444 245 D N 0.384 120.731 120.400 -0.088 0.000 2.310 245 D HA -0.118 4.522 4.640 -0.000 0.000 0.212 245 D C 1.142 177.323 176.300 -0.197 0.000 0.965 245 D CA 0.944 54.872 54.000 -0.119 0.000 0.879 245 D CB 0.184 40.923 40.800 -0.101 0.000 0.921 245 D HN 0.330 nan 8.370 nan 0.000 0.510 246 E N -0.191 119.808 120.200 -0.335 0.000 2.474 246 E HA 0.033 4.383 4.350 -0.000 0.000 0.215 246 E C 1.156 177.623 176.600 -0.221 0.000 0.867 246 E CA 0.236 56.391 56.400 -0.409 0.000 1.135 246 E CB 0.788 29.911 29.700 -0.961 0.000 1.147 246 E HN 0.278 nan 8.360 nan 0.000 0.534 247 E N -0.238 119.893 120.200 -0.114 0.000 2.562 247 E HA 0.165 4.515 4.350 -0.000 0.000 0.214 247 E C 0.864 177.483 176.600 0.031 0.000 0.979 247 E CA 0.400 56.821 56.400 0.035 0.000 1.002 247 E CB 1.267 31.100 29.700 0.222 0.000 1.048 247 E HN 0.218 nan 8.360 nan 0.000 0.488 248 G N 2.618 111.418 108.800 -0.001 0.000 2.225 248 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.267 248 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.267 248 G C 0.172 175.073 174.900 0.002 0.000 1.024 248 G CA 0.708 45.805 45.100 -0.005 0.000 0.784 248 G HN 0.265 nan 8.290 nan 0.000 0.507 249 Q N -0.368 119.445 119.800 0.021 0.000 2.212 249 Q HA 0.372 4.712 4.340 -0.000 0.000 0.238 249 Q C -0.535 175.460 176.000 -0.009 0.000 0.955 249 Q CA -0.629 55.166 55.803 -0.012 0.000 0.906 249 Q CB 0.962 29.680 28.738 -0.033 0.000 1.215 249 Q HN 0.250 nan 8.270 nan 0.000 0.478 250 D N 1.787 122.166 120.400 -0.035 0.000 2.500 250 D HA 0.174 4.814 4.640 -0.000 0.000 0.219 250 D C -0.540 175.723 176.300 -0.062 0.000 1.137 250 D CA 0.023 54.004 54.000 -0.033 0.000 0.946 250 D CB 0.750 41.540 40.800 -0.016 0.000 1.022 250 D HN 0.151 nan 8.370 nan 0.000 0.518 251 V N 1.888 121.786 119.914 -0.027 0.000 3.003 251 V HA 0.218 4.338 4.120 -0.000 0.000 0.305 251 V C 0.777 176.842 176.094 -0.049 0.000 1.078 251 V CA -0.491 61.799 62.300 -0.016 0.000 1.083 251 V CB 1.556 33.423 31.823 0.073 0.000 1.039 251 V HN 0.338 nan 8.190 nan 0.000 0.481 252 L N 3.829 125.028 121.223 -0.040 0.000 2.324 252 L HA 0.407 4.747 4.340 -0.000 0.000 0.274 252 L C -0.706 176.098 176.870 -0.110 0.000 1.012 252 L CA -0.554 54.199 54.840 -0.145 0.000 0.859 252 L CB 1.410 43.377 42.059 -0.154 0.000 1.224 252 L HN 0.497 nan 8.230 nan 0.000 0.429 253 L N 3.810 124.945 121.223 -0.147 0.000 2.313 253 L HA 0.395 4.735 4.340 -0.000 0.000 0.282 253 L C -0.855 175.880 176.870 -0.225 0.000 1.092 253 L CA 0.536 55.328 54.840 -0.079 0.000 0.831 253 L CB 0.335 42.357 42.059 -0.061 0.000 1.159 253 L HN 0.167 nan 8.230 nan 0.000 0.442 254 F N 6.186 126.126 119.950 -0.016 0.000 2.404 254 F HA 0.473 5.000 4.527 -0.000 0.000 0.354 254 F C 0.197 175.816 175.800 -0.301 0.000 1.122 254 F CA -0.296 57.656 58.000 -0.081 0.000 1.080 254 F CB 0.962 40.019 39.000 0.096 0.000 1.131 254 F HN 0.270 nan 8.300 nan 0.000 0.471 255 I N 3.616 124.126 120.570 -0.100 0.000 2.382 255 I HA 0.228 4.398 4.170 -0.000 0.000 0.285 255 I C -0.952 175.087 176.117 -0.129 0.000 1.007 255 I CA -0.419 60.775 61.300 -0.176 0.000 1.142 255 I CB 1.234 39.135 38.000 -0.166 0.000 1.289 255 I HN 0.429 nan 8.210 nan 0.000 0.453 256 D N 6.499 126.777 120.400 -0.203 0.000 2.471 256 D HA 0.255 4.895 4.640 -0.000 0.000 0.245 256 D C -1.215 175.087 176.300 0.004 0.000 1.116 256 D CA -0.265 53.712 54.000 -0.037 0.000 0.853 256 D CB 1.370 42.206 40.800 0.060 0.000 1.123 256 D HN 0.346 nan 8.370 nan 0.000 0.540 257 N N 4.001 122.737 118.700 0.060 0.000 2.284 257 N HA 0.169 4.909 4.740 -0.000 0.000 0.300 257 N C 0.695 176.273 175.510 0.113 0.000 1.047 257 N CA -0.569 52.542 53.050 0.102 0.000 0.821 257 N CB 1.630 40.227 38.487 0.184 0.000 1.337 257 N HN 0.310 nan 8.380 nan 0.000 0.482 258 I N 3.082 123.707 120.570 0.091 0.000 2.700 258 I HA -0.092 4.078 4.170 -0.000 0.000 0.261 258 I C 1.418 177.675 176.117 0.234 0.000 1.219 258 I CA 0.901 62.259 61.300 0.098 0.000 1.463 258 I CB -0.395 37.610 38.000 0.009 0.000 1.092 258 I HN 0.609 nan 8.210 nan 0.000 0.452 259 F N 0.824 120.828 119.950 0.091 0.000 2.270 259 F HA 0.050 4.577 4.527 -0.000 0.000 0.295 259 F C 2.284 178.124 175.800 0.066 0.000 1.087 259 F CA 1.024 59.076 58.000 0.086 0.000 1.365 259 F CB -0.301 38.758 39.000 0.099 0.000 1.056 259 F HN -0.150 nan 8.300 nan 0.000 0.506 260 R N -0.610 119.838 120.500 -0.088 0.000 2.339 260 R HA -0.071 4.269 4.340 -0.000 0.000 0.199 260 R C 1.691 177.925 176.300 -0.111 0.000 1.018 260 R CA 0.883 56.857 56.100 -0.209 0.000 1.036 260 R CB -0.546 29.729 30.300 -0.042 0.000 0.899 260 R HN 0.466 nan 8.270 nan 0.000 0.473 261 F N 0.053 119.903 119.950 -0.167 0.000 2.446 261 F HA 0.059 4.586 4.527 -0.000 0.000 0.292 261 F C 1.836 177.556 175.800 -0.133 0.000 1.096 261 F CA 0.816 58.744 58.000 -0.119 0.000 1.438 261 F CB 0.023 38.976 39.000 -0.078 0.000 1.107 261 F HN -0.249 nan 8.300 nan 0.000 0.546 262 T N 1.134 115.485 114.554 -0.337 0.000 2.737 262 T HA -0.218 4.132 4.350 -0.000 0.000 0.265 262 T C 1.891 176.391 174.700 -0.333 0.000 1.038 262 T CA 1.794 63.669 62.100 -0.375 0.000 1.144 262 T CB -0.390 68.407 68.868 -0.118 0.000 0.866 262 T HN 0.593 nan 8.240 nan 0.000 0.434 263 Q N 1.202 120.743 119.800 -0.431 0.000 2.170 263 Q HA 0.036 4.376 4.340 -0.000 0.000 0.203 263 Q C 2.338 178.167 176.000 -0.286 0.000 0.976 263 Q CA 1.446 57.026 55.803 -0.373 0.000 0.858 263 Q CB -0.423 28.010 28.738 -0.509 0.000 0.907 263 Q HN 0.443 nan 8.270 nan 0.000 0.433 264 A N 1.656 124.301 122.820 -0.293 0.000 1.865 264 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 264 A C 2.463 179.906 177.584 -0.235 0.000 1.191 264 A CA 1.726 53.628 52.037 -0.226 0.000 0.623 264 A CB -1.632 17.259 19.000 -0.181 0.000 0.826 264 A HN 0.594 nan 8.150 nan 0.000 0.444 265 G N -0.922 107.667 108.800 -0.352 0.000 2.422 265 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 265 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 265 G C 1.943 176.738 174.900 -0.175 0.000 1.146 265 G CA 1.687 46.615 45.100 -0.286 0.000 0.769 265 G HN 0.646 nan 8.290 nan 0.000 0.547 266 S N 0.416 116.017 115.700 -0.166 0.000 2.348 266 S HA -0.139 4.331 4.470 -0.000 0.000 0.221 266 S C 2.212 176.736 174.600 -0.127 0.000 1.033 266 S CA 1.980 60.111 58.200 -0.115 0.000 1.010 266 S CB -0.359 62.760 63.200 -0.136 0.000 0.891 266 S HN 0.577 nan 8.310 nan 0.000 0.442 267 E N 0.054 120.168 120.200 -0.144 0.000 2.038 267 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 267 E C 2.208 178.754 176.600 -0.090 0.000 1.000 267 E CA 1.450 57.779 56.400 -0.119 0.000 0.803 267 E CB -0.412 29.217 29.700 -0.118 0.000 0.750 267 E HN 0.351 nan 8.360 nan 0.000 0.448 268 V N 0.820 120.682 119.914 -0.087 0.000 2.252 268 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 268 V C 2.468 178.531 176.094 -0.053 0.000 1.056 268 V CA 2.108 64.371 62.300 -0.062 0.000 1.022 268 V CB -0.512 31.277 31.823 -0.058 0.000 0.641 268 V HN 0.306 nan 8.190 nan 0.000 0.445 269 S N -0.605 115.059 115.700 -0.060 0.000 2.365 269 S HA -0.271 4.199 4.470 -0.000 0.000 0.225 269 S C 2.123 176.697 174.600 -0.043 0.000 1.039 269 S CA 2.015 60.188 58.200 -0.046 0.000 1.033 269 S CB -0.450 62.724 63.200 -0.044 0.000 0.887 269 S HN 0.676 nan 8.310 nan 0.000 0.447 270 A N 1.225 124.011 122.820 -0.057 0.000 1.908 270 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 270 A C 2.295 179.852 177.584 -0.045 0.000 1.181 270 A CA 1.581 53.584 52.037 -0.056 0.000 0.627 270 A CB -0.861 18.093 19.000 -0.077 0.000 0.818 270 A HN 0.583 nan 8.150 nan 0.000 0.445 271 L N -0.668 120.528 121.223 -0.045 0.000 2.046 271 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 271 L C 2.578 179.434 176.870 -0.024 0.000 1.077 271 L CA 1.109 55.928 54.840 -0.034 0.000 0.747 271 L CB -0.475 41.564 42.059 -0.034 0.000 0.896 271 L HN 0.402 nan 8.230 nan 0.000 0.432 272 L N -0.619 120.592 121.223 -0.021 0.000 2.079 272 L HA -0.175 4.164 4.340 -0.000 0.000 0.210 272 L C 1.599 178.462 176.870 -0.011 0.000 1.081 272 L CA 1.366 56.198 54.840 -0.012 0.000 0.752 272 L CB -0.615 41.438 42.059 -0.010 0.000 0.896 272 L HN 0.594 nan 8.230 nan 0.000 0.433 273 G N -0.982 107.808 108.800 -0.016 0.000 2.183 273 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.168 273 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.168 273 G C 0.168 175.060 174.900 -0.013 0.000 1.008 273 G CA -0.526 44.566 45.100 -0.014 0.000 0.677 273 G HN 0.185 nan 8.290 nan 0.000 0.498 274 R N -0.053 120.439 120.500 -0.014 0.000 2.698 274 R HA 0.427 4.767 4.340 -0.000 0.000 0.266 274 R C 0.744 177.037 176.300 -0.013 0.000 1.026 274 R CA 0.118 56.211 56.100 -0.011 0.000 1.102 274 R CB 0.474 30.767 30.300 -0.012 0.000 0.978 274 R HN 0.318 nan 8.270 nan 0.000 0.436 275 I N 4.736 125.301 120.570 -0.007 0.000 2.471 275 I HA 0.115 4.285 4.170 -0.000 0.000 0.286 275 I C -1.761 174.355 176.117 -0.002 0.000 1.079 275 I CA -1.853 59.443 61.300 -0.006 0.000 1.398 275 I CB 0.999 38.998 38.000 -0.000 0.000 1.403 275 I HN 0.336 nan 8.210 nan 0.000 0.530 276 P HA 0.071 nan 4.420 nan 0.000 0.269 276 P C -0.354 176.961 177.300 0.026 0.000 1.215 276 P CA -0.226 62.873 63.100 -0.002 0.000 0.780 276 P CB 0.695 32.378 31.700 -0.029 0.000 0.898 277 S N 1.168 116.904 115.700 0.059 0.000 2.448 277 S HA 0.641 5.111 4.470 -0.000 0.000 0.271 277 S C 0.124 174.796 174.600 0.120 0.000 1.145 277 S CA -0.618 57.631 58.200 0.083 0.000 1.022 277 S CB -0.347 62.906 63.200 0.089 0.000 1.202 277 S HN 0.504 nan 8.310 nan 0.000 0.479 278 A N -0.072 122.841 122.820 0.155 0.000 2.524 278 A HA 0.493 4.813 4.320 -0.000 0.000 0.250 278 A C 0.290 178.093 177.584 0.366 0.000 1.078 278 A CA -0.012 52.147 52.037 0.204 0.000 0.761 278 A CB -1.437 17.662 19.000 0.166 0.000 1.012 278 A HN 1.609 nan 8.150 nan 0.000 0.500 279 F N 1.298 121.305 119.950 0.095 0.000 2.656 279 F HA -0.268 4.258 4.527 -0.000 0.000 0.381 279 F C 1.343 177.104 175.800 -0.065 0.000 0.603 279 F CA 1.926 59.966 58.000 0.067 0.000 1.335 279 F CB -0.987 38.127 39.000 0.190 0.000 1.836 279 F HN 2.081 nan 8.300 nan 0.000 0.290 280 G N -1.431 107.329 108.800 -0.067 0.000 2.176 280 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.232 280 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.232 280 G C 0.212 174.980 174.900 -0.219 0.000 0.986 280 G CA -0.154 44.818 45.100 -0.213 0.000 0.643 280 G HN 0.656 nan 8.290 nan 0.000 0.522 281 Y N 2.095 122.392 120.300 -0.004 0.000 2.357 281 Y HA 0.381 4.931 4.550 -0.000 0.000 0.340 281 Y C 1.512 177.396 175.900 -0.027 0.000 1.260 281 Y CA 0.128 58.222 58.100 -0.009 0.000 1.425 281 Y CB 0.463 38.951 38.460 0.046 0.000 1.326 281 Y HN 0.426 nan 8.280 nan 0.000 0.580 282 Q N 3.465 123.346 119.800 0.136 0.000 2.386 282 Q HA -0.009 4.331 4.340 -0.000 0.000 0.282 282 Q C -2.215 173.823 176.000 0.064 0.000 1.050 282 Q CA -1.276 54.559 55.803 0.053 0.000 0.918 282 Q CB 0.409 29.152 28.738 0.008 0.000 1.266 282 Q HN 0.401 nan 8.270 nan 0.000 0.423 283 P HA -0.109 nan 4.420 nan 0.000 0.220 283 P C 0.775 178.090 177.300 0.024 0.000 1.148 283 P CA 1.559 64.678 63.100 0.033 0.000 0.803 283 P CB -0.133 31.579 31.700 0.019 0.000 0.782 284 T N -3.273 111.289 114.554 0.014 0.000 3.330 284 T HA 0.183 4.533 4.350 -0.000 0.000 0.249 284 T C 1.297 175.997 174.700 -0.001 0.000 0.980 284 T CA -0.385 61.718 62.100 0.006 0.000 0.920 284 T CB -0.876 67.992 68.868 0.000 0.000 1.065 284 T HN -0.151 nan 8.240 nan 0.000 0.588 285 L N 1.768 122.990 121.223 -0.002 0.000 1.970 285 L HA 0.095 4.435 4.340 -0.000 0.000 0.212 285 L C 2.761 179.612 176.870 -0.032 0.000 1.071 285 L CA 2.255 57.076 54.840 -0.032 0.000 0.751 285 L CB -1.059 40.963 42.059 -0.062 0.000 0.889 285 L HN 0.377 nan 8.230 nan 0.000 0.432 286 A N -1.337 121.476 122.820 -0.011 0.000 1.940 286 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 286 A C 2.331 179.936 177.584 0.035 0.000 1.176 286 A CA 2.533 54.579 52.037 0.016 0.000 0.631 286 A CB -1.376 17.652 19.000 0.046 0.000 0.814 286 A HN 0.675 nan 8.150 nan 0.000 0.446 287 T N -2.543 112.032 114.554 0.035 0.000 2.851 287 T HA -0.102 4.248 4.350 -0.000 0.000 0.262 287 T C 1.403 176.136 174.700 0.055 0.000 1.043 287 T CA 1.307 63.436 62.100 0.049 0.000 1.140 287 T CB -0.495 68.395 68.868 0.037 0.000 0.872 287 T HN 0.307 nan 8.240 nan 0.000 0.446 288 D N 0.925 121.350 120.400 0.040 0.000 2.149 288 D HA -0.060 4.580 4.640 -0.000 0.000 0.198 288 D C 1.908 178.301 176.300 0.156 0.000 0.990 288 D CA 1.070 55.109 54.000 0.066 0.000 0.839 288 D CB -0.404 40.382 40.800 -0.024 0.000 0.948 288 D HN 0.323 nan 8.370 nan 0.000 0.460 289 M N 0.382 120.037 119.600 0.093 0.000 2.099 289 M HA 0.035 4.515 4.480 -0.000 0.000 0.262 289 M C 2.030 178.317 176.300 -0.020 0.000 1.067 289 M CA 1.801 57.135 55.300 0.057 0.000 1.124 289 M CB -0.734 31.783 32.600 -0.139 0.000 1.353 289 M HN -0.006 nan 8.290 nan 0.000 0.410 290 G N 0.052 108.869 108.800 0.027 0.000 2.450 290 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.220 290 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.220 290 G C 1.494 176.457 174.900 0.105 0.000 1.130 290 G CA 0.997 46.181 45.100 0.139 0.000 0.760 290 G HN 0.498 nan 8.290 nan 0.000 0.557 291 L N -0.591 120.689 121.223 0.095 0.000 2.456 291 L HA 0.058 4.398 4.340 -0.000 0.000 0.224 291 L C 2.429 179.339 176.870 0.068 0.000 1.148 291 L CA 0.302 55.198 54.840 0.093 0.000 0.825 291 L CB -0.053 42.076 42.059 0.117 0.000 0.937 291 L HN 0.306 nan 8.230 nan 0.000 0.450 292 L N -1.815 119.431 121.223 0.038 0.000 2.519 292 L HA 0.053 4.393 4.340 -0.000 0.000 0.194 292 L C 2.229 179.072 176.870 -0.046 0.000 1.072 292 L CA 0.954 55.764 54.840 -0.051 0.000 0.845 292 L CB -0.212 41.725 42.059 -0.202 0.000 1.138 292 L HN -0.005 nan 8.230 nan 0.000 0.487 293 Q N 0.175 119.965 119.800 -0.016 0.000 2.378 293 Q HA -0.039 4.301 4.340 -0.000 0.000 0.205 293 Q C 1.451 177.513 176.000 0.103 0.000 0.954 293 Q CA 0.717 56.544 55.803 0.040 0.000 0.901 293 Q CB 0.134 28.927 28.738 0.093 0.000 0.981 293 Q HN 0.591 nan 8.270 nan 0.000 0.483 294 E N 0.374 120.634 120.200 0.101 0.000 2.385 294 E HA 0.008 4.358 4.350 -0.000 0.000 0.194 294 E C 1.488 178.115 176.600 0.046 0.000 1.013 294 E CA 0.111 56.560 56.400 0.082 0.000 0.866 294 E CB 0.215 29.970 29.700 0.092 0.000 0.832 294 E HN 0.281 nan 8.360 nan 0.000 0.500 295 R N 0.239 120.758 120.500 0.030 0.000 2.307 295 R HA 0.151 4.491 4.340 -0.000 0.000 0.199 295 R C 0.709 177.011 176.300 0.004 0.000 1.000 295 R CA 0.265 56.374 56.100 0.015 0.000 1.023 295 R CB 0.182 30.486 30.300 0.006 0.000 0.908 295 R HN 0.017 nan 8.270 nan 0.000 0.473 296 I N 1.245 121.815 120.570 0.001 0.000 2.282 296 I HA 0.119 4.288 4.170 -0.000 0.000 0.290 296 I C -0.094 176.020 176.117 -0.005 0.000 1.090 296 I CA -0.033 61.261 61.300 -0.011 0.000 1.231 296 I CB 1.351 39.333 38.000 -0.030 0.000 1.434 296 I HN -0.088 nan 8.210 nan 0.000 0.487 297 T N 2.579 117.129 114.554 -0.007 0.000 2.827 297 T HA 0.222 4.572 4.350 -0.000 0.000 0.328 297 T C -0.566 174.127 174.700 -0.012 0.000 1.598 297 T CA -0.510 61.586 62.100 -0.008 0.000 1.043 297 T CB 1.399 70.265 68.868 -0.002 0.000 1.447 297 T HN 0.289 nan 8.240 nan 0.000 0.491 298 T N 3.882 118.426 114.554 -0.016 0.000 2.799 298 T HA 0.479 4.829 4.350 -0.000 0.000 0.296 298 T C 0.994 175.679 174.700 -0.025 0.000 0.947 298 T CA 0.160 62.249 62.100 -0.018 0.000 1.141 298 T CB 0.466 69.323 68.868 -0.019 0.000 0.891 298 T HN 0.857 nan 8.240 nan 0.000 0.533 299 T N 0.673 115.213 114.554 -0.024 0.000 2.923 299 T HA 0.625 4.975 4.350 -0.000 0.000 0.282 299 T C 1.964 176.644 174.700 -0.034 0.000 1.137 299 T CA -0.152 61.930 62.100 -0.031 0.000 0.958 299 T CB 0.132 68.984 68.868 -0.025 0.000 1.961 299 T HN 0.419 nan 8.240 nan 0.000 0.586 300 K N 0.266 120.645 120.400 -0.035 0.000 2.044 300 K HA 0.124 4.444 4.320 -0.000 0.000 0.204 300 K C 2.307 178.891 176.600 -0.027 0.000 1.049 300 K CA 1.061 57.329 56.287 -0.033 0.000 0.945 300 K CB -1.142 31.337 32.500 -0.034 0.000 0.724 300 K HN 0.506 nan 8.250 nan 0.000 0.440 301 K N -0.573 119.811 120.400 -0.026 0.000 2.155 301 K HA 0.084 4.404 4.320 -0.000 0.000 0.203 301 K C 0.905 177.494 176.600 -0.019 0.000 1.052 301 K CA 1.028 57.300 56.287 -0.025 0.000 0.948 301 K CB 0.268 32.748 32.500 -0.033 0.000 0.728 301 K HN 0.593 nan 8.250 nan 0.000 0.448 302 G N -0.191 108.600 108.800 -0.015 0.000 2.328 302 G HA2 0.139 4.099 3.960 -0.000 0.000 0.295 302 G HA3 0.139 4.099 3.960 -0.000 0.000 0.295 302 G C -1.535 173.362 174.900 -0.005 0.000 1.413 302 G CA -0.436 44.660 45.100 -0.007 0.000 0.817 302 G HN 0.051 nan 8.290 nan 0.000 0.546 303 S N -1.155 114.543 115.700 -0.003 0.000 2.501 303 S HA 0.741 5.211 4.470 -0.000 0.000 0.301 303 S C -0.598 174.000 174.600 -0.004 0.000 1.096 303 S CA -0.709 57.487 58.200 -0.006 0.000 1.063 303 S CB 1.932 65.126 63.200 -0.010 0.000 1.042 303 S HN 1.174 nan 8.310 nan 0.000 0.494 304 V N 3.568 123.479 119.914 -0.005 0.000 2.333 304 V HA 0.421 4.540 4.120 -0.000 0.000 0.274 304 V C 0.038 176.110 176.094 -0.036 0.000 1.028 304 V CA -0.373 61.921 62.300 -0.010 0.000 0.851 304 V CB 1.107 32.932 31.823 0.004 0.000 1.000 304 V HN 1.050 nan 8.190 nan 0.000 0.456 305 T N 3.808 118.326 114.554 -0.060 0.000 2.767 305 T HA 0.373 4.723 4.350 -0.000 0.000 0.284 305 T C -0.027 174.586 174.700 -0.145 0.000 0.973 305 T CA -0.203 61.849 62.100 -0.081 0.000 0.996 305 T CB 1.369 70.199 68.868 -0.062 0.000 0.927 305 T HN 0.606 nan 8.240 nan 0.000 0.456 306 S N 2.731 118.341 115.700 -0.149 0.000 2.478 306 S HA 0.578 5.047 4.470 -0.000 0.000 0.312 306 S C -0.469 173.998 174.600 -0.222 0.000 1.094 306 S CA -0.633 57.441 58.200 -0.209 0.000 1.081 306 S CB 0.601 63.711 63.200 -0.150 0.000 1.007 306 S HN 0.462 nan 8.310 nan 0.000 0.475 307 V N 6.051 125.763 119.914 -0.336 0.000 2.370 307 V HA 0.446 4.566 4.120 -0.000 0.000 0.279 307 V C -0.351 175.706 176.094 -0.061 0.000 1.029 307 V CA -0.371 61.825 62.300 -0.174 0.000 0.870 307 V CB 1.337 33.109 31.823 -0.085 0.000 0.984 307 V HN 0.877 nan 8.190 nan 0.000 0.451 308 Q N 3.346 123.117 119.800 -0.048 0.000 2.325 308 Q HA 0.680 5.020 4.340 -0.000 0.000 0.270 308 Q C -0.298 175.665 176.000 -0.061 0.000 1.020 308 Q CA -0.558 55.216 55.803 -0.048 0.000 0.785 308 Q CB 2.262 30.948 28.738 -0.086 0.000 1.259 308 Q HN 0.867 nan 8.270 nan 0.000 0.452 309 A N 2.539 125.353 122.820 -0.010 0.000 2.492 309 A HA 0.376 4.696 4.320 -0.000 0.000 0.254 309 A C -0.187 177.345 177.584 -0.087 0.000 1.091 309 A CA -0.214 51.799 52.037 -0.039 0.000 0.768 309 A CB 0.270 19.310 19.000 0.068 0.000 1.028 309 A HN 0.511 nan 8.150 nan 0.000 0.498 310 V N 3.849 123.591 119.914 -0.285 0.000 2.370 310 V HA 0.224 4.344 4.120 -0.000 0.000 0.283 310 V C -0.537 175.534 176.094 -0.038 0.000 1.023 310 V CA -0.348 61.812 62.300 -0.232 0.000 0.857 310 V CB 0.967 32.493 31.823 -0.495 0.000 0.985 310 V HN 0.789 nan 8.190 nan 0.000 0.443 311 Y N 4.502 124.776 120.300 -0.043 0.000 2.328 311 Y HA 0.599 5.149 4.550 -0.000 0.000 0.337 311 Y C -0.182 175.542 175.900 -0.294 0.000 1.008 311 Y CA -0.569 57.458 58.100 -0.122 0.000 1.129 311 Y CB 1.588 39.961 38.460 -0.146 0.000 1.185 311 Y HN 0.434 nan 8.280 nan 0.000 0.476 312 V N 8.648 128.468 119.914 -0.158 0.000 2.328 312 V HA 0.307 4.427 4.120 -0.000 0.000 0.278 312 V C -2.257 173.777 176.094 -0.099 0.000 1.021 312 V CA -2.233 60.007 62.300 -0.100 0.000 0.838 312 V CB 0.906 32.739 31.823 0.018 0.000 0.999 312 V HN 0.735 nan 8.190 nan 0.000 0.447 313 P HA 0.162 nan 4.420 nan 0.000 0.264 313 P C 0.767 178.099 177.300 0.053 0.000 1.193 313 P CA 0.776 63.913 63.100 0.063 0.000 0.763 313 P CB 0.756 32.531 31.700 0.126 0.000 0.810 314 A N 4.043 126.906 122.820 0.070 0.000 2.869 314 A HA -0.294 4.026 4.320 -0.000 0.000 0.272 314 A C 0.956 178.541 177.584 0.001 0.000 1.332 314 A CA 1.448 53.509 52.037 0.039 0.000 0.939 314 A CB -2.403 16.625 19.000 0.047 0.000 1.018 314 A HN 0.670 nan 8.150 nan 0.000 0.696 315 D N -1.664 118.724 120.400 -0.020 0.000 2.945 315 D HA -0.190 4.449 4.640 -0.000 0.000 0.225 315 D C -0.248 176.047 176.300 -0.007 0.000 1.158 315 D CA 1.802 55.785 54.000 -0.027 0.000 0.805 315 D CB -1.310 39.466 40.800 -0.040 0.000 1.098 315 D HN 0.921 nan 8.370 nan 0.000 0.426 316 D N 0.307 120.705 120.400 -0.003 0.000 2.380 316 D HA 0.271 4.911 4.640 -0.000 0.000 0.230 316 D C 1.495 177.809 176.300 0.023 0.000 1.154 316 D CA -0.400 53.596 54.000 -0.006 0.000 0.859 316 D CB 0.516 41.290 40.800 -0.042 0.000 1.045 316 D HN 0.116 nan 8.370 nan 0.000 0.495 317 L N 2.626 123.887 121.223 0.064 0.000 2.552 317 L HA 0.046 4.386 4.340 -0.000 0.000 0.227 317 L C 2.235 179.170 176.870 0.109 0.000 1.146 317 L CA 0.737 55.673 54.840 0.159 0.000 0.858 317 L CB -0.430 41.748 42.059 0.199 0.000 0.969 317 L HN 0.462 nan 8.230 nan 0.000 0.451 318 T N -4.176 110.398 114.554 0.033 0.000 3.057 318 T HA -0.068 4.282 4.350 -0.000 0.000 0.254 318 T C 0.889 175.568 174.700 -0.035 0.000 1.094 318 T CA -0.304 61.799 62.100 0.004 0.000 1.088 318 T CB -0.197 68.661 68.868 -0.016 0.000 0.934 318 T HN 0.195 nan 8.240 nan 0.000 0.497 319 D N 2.904 123.269 120.400 -0.058 0.000 2.531 319 D HA 0.025 4.665 4.640 -0.000 0.000 0.239 319 D C -1.430 174.826 176.300 -0.074 0.000 1.144 319 D CA -1.302 52.647 54.000 -0.085 0.000 0.869 319 D CB 1.466 42.245 40.800 -0.035 0.000 1.160 319 D HN 0.072 nan 8.370 nan 0.000 0.484 320 P HA -0.244 nan 4.420 nan 0.000 0.216 320 P C 1.069 178.197 177.300 -0.286 0.000 1.167 320 P CA 2.526 65.501 63.100 -0.209 0.000 0.914 320 P CB 0.006 31.524 31.700 -0.303 0.000 0.793 321 A N -0.104 122.456 122.820 -0.434 0.000 1.870 321 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 321 A C 0.044 177.559 177.584 -0.115 0.000 1.224 321 A CA 3.188 55.088 52.037 -0.229 0.000 0.650 321 A CB -2.465 16.619 19.000 0.140 0.000 0.836 321 A HN 0.249 nan 8.150 nan 0.000 0.454 322 P HA -0.093 nan 4.420 nan 0.000 0.215 322 P C 1.655 178.706 177.300 -0.415 0.000 1.157 322 P CA 1.998 64.859 63.100 -0.399 0.000 0.859 322 P CB -0.334 31.117 31.700 -0.415 0.000 0.786 323 A N -0.294 122.439 122.820 -0.145 0.000 1.986 323 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 323 A C 2.295 179.905 177.584 0.043 0.000 1.171 323 A CA 2.555 54.614 52.037 0.036 0.000 0.640 323 A CB -1.925 17.098 19.000 0.039 0.000 0.811 323 A HN 0.222 nan 8.150 nan 0.000 0.451 324 T N -0.534 113.998 114.554 -0.036 0.000 2.809 324 T HA -0.075 4.275 4.350 -0.000 0.000 0.260 324 T C 2.056 176.765 174.700 0.015 0.000 1.039 324 T CA 1.756 63.854 62.100 -0.004 0.000 1.141 324 T CB -0.497 68.326 68.868 -0.074 0.000 0.869 324 T HN 0.598 nan 8.240 nan 0.000 0.437 325 T N 2.216 116.724 114.554 -0.077 0.000 2.708 325 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 325 T C 1.594 176.354 174.700 0.100 0.000 1.037 325 T CA 0.978 63.037 62.100 -0.069 0.000 1.146 325 T CB -0.555 68.228 68.868 -0.143 0.000 0.865 325 T HN 0.196 nan 8.240 nan 0.000 0.435 326 F N 2.020 122.027 119.950 0.096 0.000 2.192 326 F HA 0.000 4.527 4.527 -0.000 0.000 0.301 326 F C 2.692 178.554 175.800 0.102 0.000 1.079 326 F CA 0.077 58.137 58.000 0.100 0.000 1.303 326 F CB -1.339 37.714 39.000 0.088 0.000 1.024 326 F HN 0.181 nan 8.300 nan 0.000 0.494 327 A N -1.068 121.942 122.820 0.317 0.000 1.972 327 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 327 A C 1.995 179.682 177.584 0.172 0.000 1.169 327 A CA 1.643 53.814 52.037 0.223 0.000 0.635 327 A CB -0.966 18.165 19.000 0.219 0.000 0.810 327 A HN 0.522 nan 8.150 nan 0.000 0.446 328 H N -1.289 117.829 119.070 0.079 0.000 2.547 328 H HA 0.240 4.796 4.556 -0.000 0.000 0.272 328 H C 0.087 175.442 175.328 0.044 0.000 0.971 328 H CA -0.161 55.916 56.048 0.048 0.000 1.245 328 H CB 0.098 29.880 29.762 0.033 0.000 1.440 328 H HN 0.304 nan 8.280 nan 0.000 0.540 329 L N 1.422 122.763 121.223 0.197 0.000 2.426 329 L HA -0.040 4.300 4.340 -0.000 0.000 0.271 329 L C 0.770 177.678 176.870 0.063 0.000 1.169 329 L CA 0.051 54.968 54.840 0.128 0.000 0.836 329 L CB 0.867 43.049 42.059 0.204 0.000 1.112 329 L HN 0.102 nan 8.230 nan 0.000 0.465 330 D N 1.030 121.436 120.400 0.010 0.000 2.259 330 D HA 0.213 4.853 4.640 -0.000 0.000 0.216 330 D C 0.238 176.518 176.300 -0.033 0.000 0.961 330 D CA 0.714 54.702 54.000 -0.019 0.000 0.878 330 D CB 0.496 41.273 40.800 -0.039 0.000 1.009 330 D HN 0.610 nan 8.370 nan 0.000 0.490 331 A N -0.725 122.062 122.820 -0.057 0.000 2.606 331 A HA 0.639 4.959 4.320 -0.000 0.000 0.293 331 A C -0.994 176.569 177.584 -0.034 0.000 1.082 331 A CA -0.651 51.348 52.037 -0.064 0.000 0.685 331 A CB 1.360 20.289 19.000 -0.118 0.000 1.284 331 A HN 0.005 nan 8.150 nan 0.000 0.408 332 T N -0.999 113.569 114.554 0.024 0.000 2.812 332 T HA 0.667 5.017 4.350 -0.000 0.000 0.282 332 T C -0.626 174.148 174.700 0.123 0.000 0.990 332 T CA -0.411 61.776 62.100 0.145 0.000 0.960 332 T CB 1.217 70.232 68.868 0.245 0.000 0.948 332 T HN 0.541 nan 8.240 nan 0.000 0.438 333 T N 3.539 118.180 114.554 0.146 0.000 2.853 333 T HA 0.440 4.790 4.350 -0.000 0.000 0.317 333 T C -0.057 174.716 174.700 0.121 0.000 1.059 333 T CA -0.520 61.666 62.100 0.143 0.000 0.954 333 T CB 0.560 69.567 68.868 0.232 0.000 0.994 333 T HN 0.641 nan 8.240 nan 0.000 0.479 334 V N 6.092 126.064 119.914 0.096 0.000 2.334 334 V HA 0.336 4.456 4.120 -0.000 0.000 0.267 334 V C 0.251 176.343 176.094 -0.003 0.000 1.040 334 V CA -0.741 61.612 62.300 0.088 0.000 0.866 334 V CB 0.365 32.185 31.823 -0.004 0.000 1.019 334 V HN 0.744 nan 8.190 nan 0.000 0.468 335 L N 4.033 125.243 121.223 -0.022 0.000 2.350 335 L HA 0.612 4.952 4.340 -0.000 0.000 0.275 335 L C 0.434 177.290 176.870 -0.024 0.000 1.099 335 L CA 0.278 55.082 54.840 -0.059 0.000 0.808 335 L CB 1.509 43.509 42.059 -0.098 0.000 1.149 335 L HN 0.668 nan 8.230 nan 0.000 0.442 336 S N 1.654 117.331 115.700 -0.038 0.000 2.547 336 S HA 0.356 4.826 4.470 -0.000 0.000 0.281 336 S C 0.509 175.084 174.600 -0.042 0.000 1.118 336 S CA -0.788 57.390 58.200 -0.036 0.000 0.947 336 S CB 1.821 64.995 63.200 -0.043 0.000 1.053 336 S HN 0.687 nan 8.310 nan 0.000 0.482 337 R N 2.360 122.842 120.500 -0.029 0.000 2.328 337 R HA 0.010 4.350 4.340 -0.000 0.000 0.207 337 R C 1.668 177.947 176.300 -0.033 0.000 1.056 337 R CA 1.076 57.160 56.100 -0.026 0.000 1.016 337 R CB -0.390 29.903 30.300 -0.010 0.000 0.872 337 R HN 0.793 nan 8.270 nan 0.000 0.471 338 G N -0.055 108.722 108.800 -0.038 0.000 2.595 338 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.213 338 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.213 338 G C 1.276 176.148 174.900 -0.046 0.000 1.141 338 G CA -0.216 44.862 45.100 -0.036 0.000 0.806 338 G HN 0.070 nan 8.290 nan 0.000 0.530 339 I N 2.502 123.034 120.570 -0.063 0.000 2.500 339 I HA -0.075 4.095 4.170 -0.000 0.000 0.252 339 I C 2.940 178.975 176.117 -0.137 0.000 1.142 339 I CA 1.541 62.793 61.300 -0.080 0.000 1.451 339 I CB -0.756 37.199 38.000 -0.075 0.000 1.093 339 I HN 0.300 nan 8.210 nan 0.000 0.430 340 S N 0.458 116.052 115.700 -0.177 0.000 2.395 340 S HA -0.090 4.380 4.470 -0.000 0.000 0.225 340 S C 1.676 176.183 174.600 -0.154 0.000 1.027 340 S CA 0.487 58.505 58.200 -0.303 0.000 0.965 340 S CB -0.525 62.481 63.200 -0.322 0.000 0.812 340 S HN 0.428 nan 8.310 nan 0.000 0.482 341 E N 0.907 121.066 120.200 -0.068 0.000 2.401 341 E HA 0.054 4.404 4.350 -0.000 0.000 0.199 341 E C 1.301 177.906 176.600 0.008 0.000 1.023 341 E CA 0.632 57.026 56.400 -0.011 0.000 0.859 341 E CB -0.316 29.382 29.700 -0.003 0.000 0.780 341 E HN 0.536 nan 8.360 nan 0.000 0.523 342 L N -1.165 120.050 121.223 -0.012 0.000 2.607 342 L HA 0.188 4.528 4.340 -0.000 0.000 0.228 342 L C 1.447 178.343 176.870 0.042 0.000 1.123 342 L CA 0.329 55.178 54.840 0.017 0.000 0.890 342 L CB 0.525 42.583 42.059 -0.002 0.000 1.103 342 L HN 0.284 nan 8.230 nan 0.000 0.468 343 G N -0.058 108.758 108.800 0.026 0.000 2.213 343 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.236 343 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.236 343 G C 0.369 175.288 174.900 0.032 0.000 0.991 343 G CA -0.427 44.755 45.100 0.136 0.000 0.629 343 G HN 0.092 nan 8.290 nan 0.000 0.517 344 I N 1.225 121.717 120.570 -0.130 0.000 2.587 344 I HA 0.323 4.493 4.170 -0.000 0.000 0.284 344 I C -0.097 175.876 176.117 -0.238 0.000 1.134 344 I CA -0.004 61.208 61.300 -0.146 0.000 1.410 344 I CB -0.528 37.398 38.000 -0.124 0.000 1.392 344 I HN 0.092 nan 8.210 nan 0.000 0.545 345 Y N 7.449 127.769 120.300 0.033 0.000 2.346 345 Y HA 0.383 4.933 4.550 -0.000 0.000 0.332 345 Y C -2.129 173.763 175.900 -0.014 0.000 0.985 345 Y CA -2.424 55.713 58.100 0.063 0.000 1.112 345 Y CB 2.106 40.606 38.460 0.067 0.000 1.170 345 Y HN 0.425 nan 8.280 nan 0.000 0.447 346 P HA 0.171 nan 4.420 nan 0.000 0.278 346 P C -0.211 177.199 177.300 0.184 0.000 1.238 346 P CA -0.324 63.070 63.100 0.489 0.000 0.794 346 P CB 1.375 33.522 31.700 0.744 0.000 0.955 347 A N 2.971 125.840 122.820 0.082 0.000 2.324 347 A HA 0.155 4.475 4.320 -0.000 0.000 0.240 347 A C 0.608 178.168 177.584 -0.040 0.000 1.347 347 A CA -0.175 51.818 52.037 -0.073 0.000 1.036 347 A CB -1.309 17.611 19.000 -0.134 0.000 0.917 347 A HN 0.389 nan 8.150 nan 0.000 0.519 348 V N 1.218 121.134 119.914 0.003 0.000 2.599 348 V HA -0.008 4.112 4.120 -0.000 0.000 0.300 348 V C 0.525 176.613 176.094 -0.010 0.000 1.034 348 V CA -0.281 62.016 62.300 -0.006 0.000 1.115 348 V CB 0.688 32.547 31.823 0.061 0.000 0.934 348 V HN 0.529 nan 8.190 nan 0.000 0.485 349 D N 7.766 128.154 120.400 -0.020 0.000 2.336 349 D HA 0.165 4.805 4.640 -0.000 0.000 0.249 349 D C -1.485 174.806 176.300 -0.014 0.000 1.213 349 D CA -1.902 52.084 54.000 -0.023 0.000 0.870 349 D CB 1.840 42.618 40.800 -0.038 0.000 1.076 349 D HN 0.329 nan 8.370 nan 0.000 0.483 350 P HA -0.003 nan 4.420 nan 0.000 0.247 350 P C 0.833 178.120 177.300 -0.022 0.000 1.225 350 P CA 0.457 63.546 63.100 -0.017 0.000 0.768 350 P CB 0.336 32.021 31.700 -0.025 0.000 1.020 351 L N -1.661 119.547 121.223 -0.025 0.000 2.638 351 L HA 0.215 4.555 4.340 -0.000 0.000 0.195 351 L C 2.147 178.990 176.870 -0.045 0.000 1.065 351 L CA 0.161 54.982 54.840 -0.032 0.000 0.859 351 L CB -0.779 41.261 42.059 -0.032 0.000 1.269 351 L HN -0.209 nan 8.230 nan 0.000 0.484 352 D N 0.827 121.192 120.400 -0.058 0.000 2.123 352 D HA -0.088 4.552 4.640 -0.000 0.000 0.196 352 D C 0.671 176.926 176.300 -0.075 0.000 0.992 352 D CA 1.033 54.979 54.000 -0.089 0.000 0.833 352 D CB 0.075 40.808 40.800 -0.111 0.000 0.954 352 D HN 0.122 nan 8.370 nan 0.000 0.455 353 S N 0.944 116.624 115.700 -0.032 0.000 2.515 353 S HA 0.117 4.587 4.470 -0.000 0.000 0.285 353 S C 0.149 174.751 174.600 0.003 0.000 1.265 353 S CA 0.401 58.605 58.200 0.007 0.000 1.079 353 S CB 0.700 63.926 63.200 0.044 0.000 0.877 353 S HN 0.088 nan 8.310 nan 0.000 0.493 354 K N 1.655 122.054 120.400 -0.000 0.000 2.501 354 K HA 0.475 4.795 4.320 -0.000 0.000 0.252 354 K C -0.880 175.722 176.600 0.003 0.000 0.934 354 K CA -0.475 55.809 56.287 -0.004 0.000 0.797 354 K CB 2.106 34.585 32.500 -0.035 0.000 1.270 354 K HN 0.461 nan 8.250 nan 0.000 0.431 355 S N 1.137 116.848 115.700 0.017 0.000 2.482 355 S HA 0.351 4.821 4.470 -0.000 0.000 0.303 355 S C 0.264 174.863 174.600 -0.002 0.000 1.091 355 S CA -0.662 57.543 58.200 0.008 0.000 1.057 355 S CB 1.055 64.275 63.200 0.032 0.000 1.031 355 S HN 0.570 nan 8.310 nan 0.000 0.485 356 R N 2.887 123.377 120.500 -0.017 0.000 2.236 356 R HA 0.266 4.606 4.340 -0.000 0.000 0.208 356 R C 1.561 177.841 176.300 -0.034 0.000 1.036 356 R CA 0.538 56.622 56.100 -0.026 0.000 1.001 356 R CB -0.285 29.998 30.300 -0.029 0.000 0.896 356 R HN 0.544 nan 8.270 nan 0.000 0.464 357 L N -0.063 121.142 121.223 -0.029 0.000 2.376 357 L HA 0.041 4.381 4.340 -0.000 0.000 0.219 357 L C 0.501 177.336 176.870 -0.057 0.000 1.133 357 L CA 0.504 55.318 54.840 -0.043 0.000 0.816 357 L CB -0.679 41.362 42.059 -0.029 0.000 0.933 357 L HN 0.202 nan 8.230 nan 0.000 0.449 358 L N 1.664 122.874 121.223 -0.022 0.000 2.505 358 L HA 0.066 4.406 4.340 -0.000 0.000 0.275 358 L C -0.430 176.414 176.870 -0.043 0.000 1.264 358 L CA 0.684 55.532 54.840 0.015 0.000 1.148 358 L CB -0.607 41.507 42.059 0.091 0.000 1.377 358 L HN 0.041 nan 8.230 nan 0.000 0.442 359 D N 1.976 122.284 120.400 -0.154 0.000 2.977 359 D HA 0.308 4.948 4.640 -0.000 0.000 0.220 359 D C 0.651 176.727 176.300 -0.373 0.000 1.267 359 D CA 0.158 53.951 54.000 -0.344 0.000 0.884 359 D CB 2.232 42.904 40.800 -0.214 0.000 1.667 359 D HN 0.312 nan 8.370 nan 0.000 0.536 360 A N 2.902 125.337 122.820 -0.643 0.000 1.997 360 A HA -0.123 4.197 4.320 -0.000 0.000 0.221 360 A C 1.943 179.439 177.584 -0.147 0.000 1.172 360 A CA 2.428 54.277 52.037 -0.313 0.000 0.645 360 A CB -0.424 18.409 19.000 -0.279 0.000 0.813 360 A HN 0.612 nan 8.150 nan 0.000 0.454 361 A N -1.292 121.431 122.820 -0.161 0.000 2.014 361 A HA 0.192 4.512 4.320 -0.000 0.000 0.218 361 A C 2.062 179.598 177.584 -0.080 0.000 1.163 361 A CA 1.731 53.710 52.037 -0.097 0.000 0.652 361 A CB -0.312 18.634 19.000 -0.091 0.000 0.808 361 A HN 0.391 nan 8.150 nan 0.000 0.449 362 V N -0.743 119.110 119.914 -0.102 0.000 2.721 362 V HA -0.072 4.048 4.120 -0.000 0.000 0.236 362 V C 2.447 178.480 176.094 -0.102 0.000 1.116 362 V CA 1.215 63.462 62.300 -0.089 0.000 1.148 362 V CB -0.149 31.620 31.823 -0.090 0.000 0.886 362 V HN 0.454 nan 8.190 nan 0.000 0.490 363 V N -0.437 119.389 119.914 -0.148 0.000 3.078 363 V HA 0.448 4.568 4.120 -0.000 0.000 0.265 363 V C 1.001 177.053 176.094 -0.070 0.000 1.122 363 V CA 0.828 62.983 62.300 -0.241 0.000 1.141 363 V CB -1.345 30.188 31.823 -0.483 0.000 0.735 363 V HN 0.995 nan 8.190 nan 0.000 0.498 364 G N -0.245 108.547 108.800 -0.014 0.000 2.661 364 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.685 364 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.685 364 G C -0.147 174.815 174.900 0.103 0.000 1.298 364 G CA 0.343 45.471 45.100 0.046 0.000 0.855 364 G HN 0.539 nan 8.290 nan 0.000 0.560 365 Q N -0.434 119.429 119.800 0.106 0.000 2.020 365 Q HA 0.066 4.406 4.340 -0.000 0.000 0.198 365 Q C 2.389 178.495 176.000 0.176 0.000 0.974 365 Q CA 2.556 58.445 55.803 0.144 0.000 0.829 365 Q CB -0.299 28.499 28.738 0.100 0.000 0.894 365 Q HN 0.727 nan 8.270 nan 0.000 0.433 366 E N -1.190 119.093 120.200 0.140 0.000 2.204 366 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 366 E C 1.723 178.407 176.600 0.141 0.000 0.989 366 E CA 0.600 57.071 56.400 0.118 0.000 0.824 366 E CB -0.064 29.689 29.700 0.089 0.000 0.756 366 E HN 0.476 nan 8.360 nan 0.000 0.477 367 H N -0.623 118.502 119.070 0.090 0.000 2.428 367 H HA -0.145 4.411 4.556 -0.000 0.000 0.296 367 H C 1.640 177.040 175.328 0.121 0.000 1.062 367 H CA 1.342 57.443 56.048 0.088 0.000 1.350 367 H CB -0.013 29.797 29.762 0.080 0.000 1.403 367 H HN 0.269 nan 8.280 nan 0.000 0.533 368 Y N 1.802 122.226 120.300 0.206 0.000 2.176 368 Y HA -0.088 4.462 4.550 -0.000 0.000 0.291 368 Y C 2.038 177.979 175.900 0.069 0.000 1.122 368 Y CA 1.499 59.677 58.100 0.129 0.000 1.128 368 Y CB -0.344 38.161 38.460 0.074 0.000 1.005 368 Y HN 0.093 nan 8.280 nan 0.000 0.509 369 D N -0.201 120.178 120.400 -0.034 0.000 2.149 369 D HA -0.205 4.435 4.640 -0.000 0.000 0.194 369 D C 2.411 178.634 176.300 -0.128 0.000 1.001 369 D CA 1.924 55.842 54.000 -0.137 0.000 0.849 369 D CB -0.595 40.195 40.800 -0.017 0.000 0.939 369 D HN 0.324 nan 8.370 nan 0.000 0.449 370 V N 1.499 121.376 119.914 -0.062 0.000 2.270 370 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 370 V C 2.601 178.635 176.094 -0.100 0.000 1.043 370 V CA 1.876 64.143 62.300 -0.054 0.000 1.014 370 V CB -0.931 30.872 31.823 -0.033 0.000 0.645 370 V HN 0.206 nan 8.190 nan 0.000 0.447 371 A N -0.219 122.534 122.820 -0.112 0.000 1.978 371 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 371 A C 2.458 179.960 177.584 -0.138 0.000 1.170 371 A CA 2.193 54.164 52.037 -0.110 0.000 0.636 371 A CB -0.703 18.302 19.000 0.007 0.000 0.810 371 A HN 0.527 nan 8.150 nan 0.000 0.448 372 S N -0.223 115.329 115.700 -0.248 0.000 2.353 372 S HA -0.192 4.278 4.470 -0.000 0.000 0.222 372 S C 1.992 176.500 174.600 -0.153 0.000 1.035 372 S CA 1.740 59.767 58.200 -0.288 0.000 1.025 372 S CB -0.243 62.675 63.200 -0.469 0.000 0.902 372 S HN 0.639 nan 8.310 nan 0.000 0.440 373 K N 0.530 120.857 120.400 -0.122 0.000 2.103 373 K HA 0.024 4.344 4.320 -0.000 0.000 0.204 373 K C 2.110 178.682 176.600 -0.047 0.000 1.052 373 K CA 0.816 57.063 56.287 -0.067 0.000 0.945 373 K CB -0.302 32.172 32.500 -0.043 0.000 0.722 373 K HN 0.169 nan 8.250 nan 0.000 0.443 374 V N 1.843 121.720 119.914 -0.061 0.000 2.255 374 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 374 V C 2.249 178.312 176.094 -0.050 0.000 1.051 374 V CA 1.798 64.062 62.300 -0.060 0.000 1.018 374 V CB -0.538 31.194 31.823 -0.151 0.000 0.641 374 V HN 0.373 nan 8.190 nan 0.000 0.445 375 Q N -0.617 119.147 119.800 -0.060 0.000 2.061 375 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 375 Q C 2.455 178.442 176.000 -0.022 0.000 0.984 375 Q CA 1.639 57.419 55.803 -0.039 0.000 0.846 375 Q CB -0.259 28.456 28.738 -0.039 0.000 0.902 375 Q HN 0.578 nan 8.270 nan 0.000 0.421 376 E N -0.146 120.036 120.200 -0.030 0.000 2.160 376 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 376 E C 1.890 178.491 176.600 0.002 0.000 0.991 376 E CA 1.472 57.862 56.400 -0.018 0.000 0.810 376 E CB 0.106 29.788 29.700 -0.030 0.000 0.742 376 E HN 0.391 nan 8.360 nan 0.000 0.466 377 T N 1.092 115.649 114.554 0.004 0.000 2.809 377 T HA -0.034 4.316 4.350 -0.000 0.000 0.260 377 T C 2.128 176.865 174.700 0.061 0.000 1.039 377 T CA 0.455 62.568 62.100 0.023 0.000 1.141 377 T CB -0.183 68.689 68.868 0.007 0.000 0.869 377 T HN 0.077 nan 8.240 nan 0.000 0.437 378 L N 1.007 122.261 121.223 0.052 0.000 2.079 378 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 378 L C 2.852 179.777 176.870 0.092 0.000 1.081 378 L CA 1.304 56.200 54.840 0.093 0.000 0.752 378 L CB -0.425 41.663 42.059 0.048 0.000 0.896 378 L HN 0.246 nan 8.230 nan 0.000 0.433 379 Q N -0.144 119.681 119.800 0.043 0.000 2.046 379 Q HA -0.185 4.155 4.340 -0.000 0.000 0.200 379 Q C 2.179 178.193 176.000 0.023 0.000 0.975 379 Q CA 2.566 58.379 55.803 0.018 0.000 0.836 379 Q CB -0.325 28.413 28.738 0.000 0.000 0.896 379 Q HN 0.559 nan 8.270 nan 0.000 0.428 380 T N -1.623 112.956 114.554 0.042 0.000 2.788 380 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 380 T C 1.700 176.448 174.700 0.081 0.000 1.044 380 T CA 1.300 63.428 62.100 0.046 0.000 1.139 380 T CB -0.794 68.101 68.868 0.045 0.000 0.867 380 T HN 0.444 nan 8.240 nan 0.000 0.454 381 Y N 2.417 122.708 120.300 -0.015 0.000 2.200 381 Y HA 0.110 4.659 4.550 -0.000 0.000 0.290 381 Y C 2.490 178.381 175.900 -0.015 0.000 1.137 381 Y CA 1.200 59.292 58.100 -0.014 0.000 1.163 381 Y CB -0.390 38.062 38.460 -0.014 0.000 0.988 381 Y HN 0.145 nan 8.280 nan 0.000 0.518 382 K N -0.048 120.262 120.400 -0.150 0.000 2.103 382 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 382 K C 2.098 178.580 176.600 -0.197 0.000 1.048 382 K CA 1.887 58.040 56.287 -0.223 0.000 0.930 382 K CB -0.285 32.162 32.500 -0.088 0.000 0.716 382 K HN 0.499 nan 8.250 nan 0.000 0.444 383 S N -0.023 115.604 115.700 -0.121 0.000 2.478 383 S HA 0.017 4.487 4.470 -0.000 0.000 0.222 383 S C 1.800 176.344 174.600 -0.094 0.000 1.008 383 S CA 0.164 58.310 58.200 -0.090 0.000 0.928 383 S CB -0.131 63.040 63.200 -0.049 0.000 0.781 383 S HN 0.278 nan 8.310 nan 0.000 0.518 384 L N 1.004 122.163 121.223 -0.107 0.000 2.478 384 L HA 0.104 4.444 4.340 -0.000 0.000 0.223 384 L C 2.731 179.508 176.870 -0.155 0.000 1.140 384 L CA 0.390 55.182 54.840 -0.079 0.000 0.842 384 L CB -0.376 41.694 42.059 0.018 0.000 0.953 384 L HN 0.314 nan 8.230 nan 0.000 0.452 385 Q N 0.119 119.744 119.800 -0.291 0.000 2.226 385 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 385 Q C 1.393 177.307 176.000 -0.143 0.000 0.975 385 Q CA 1.470 57.101 55.803 -0.286 0.000 0.866 385 Q CB -0.089 28.440 28.738 -0.347 0.000 0.915 385 Q HN 0.551 nan 8.270 nan 0.000 0.440 386 D N 0.748 121.081 120.400 -0.112 0.000 2.097 386 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 386 D C 1.890 178.160 176.300 -0.049 0.000 0.989 386 D CA 1.274 55.233 54.000 -0.069 0.000 0.827 386 D CB -0.101 40.664 40.800 -0.057 0.000 0.966 386 D HN 0.402 nan 8.370 nan 0.000 0.456 387 I N -1.619 118.925 120.570 -0.044 0.000 3.419 387 I HA 0.017 4.187 4.170 -0.000 0.000 0.286 387 I C 1.316 177.426 176.117 -0.012 0.000 1.268 387 I CA 0.142 61.428 61.300 -0.023 0.000 1.414 387 I CB -0.015 37.977 38.000 -0.015 0.000 1.074 387 I HN -0.090 nan 8.210 nan 0.000 0.457 388 I N 2.471 123.032 120.570 -0.016 0.000 2.406 388 I HA -0.086 4.084 4.170 -0.000 0.000 0.249 388 I C 2.949 179.066 176.117 0.000 0.000 1.122 388 I CA 1.402 62.705 61.300 0.005 0.000 1.431 388 I CB -1.279 36.736 38.000 0.025 0.000 1.087 388 I HN 0.241 nan 8.210 nan 0.000 0.424 389 A N 0.914 123.725 122.820 -0.015 0.000 1.969 389 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 389 A C 2.299 179.878 177.584 -0.008 0.000 1.169 389 A CA 1.206 53.236 52.037 -0.012 0.000 0.635 389 A CB -0.406 18.580 19.000 -0.023 0.000 0.810 389 A HN 0.356 nan 8.150 nan 0.000 0.445 390 I N -1.211 119.353 120.570 -0.010 0.000 2.490 390 I HA -0.063 4.107 4.170 -0.000 0.000 0.234 390 I C 2.299 178.415 176.117 -0.003 0.000 1.066 390 I CA 0.672 61.968 61.300 -0.007 0.000 1.405 390 I CB -0.561 37.432 38.000 -0.010 0.000 1.191 390 I HN 0.169 nan 8.210 nan 0.000 0.433 391 L N 0.215 121.437 121.223 -0.002 0.000 2.044 391 L HA 0.150 4.490 4.340 -0.000 0.000 0.205 391 L C 1.079 177.952 176.870 0.005 0.000 1.075 391 L CA 0.922 55.763 54.840 0.002 0.000 0.747 391 L CB -0.689 41.371 42.059 0.002 0.000 0.903 391 L HN 0.599 nan 8.230 nan 0.000 0.435 392 G N -2.014 106.791 108.800 0.008 0.000 2.541 392 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.686 392 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.686 392 G C 0.115 175.027 174.900 0.019 0.000 1.286 392 G CA -0.242 44.866 45.100 0.014 0.000 0.894 392 G HN -0.130 nan 8.290 nan 0.000 0.575 393 M N -0.038 119.577 119.600 0.024 0.000 2.358 393 M HA -0.052 4.427 4.480 -0.000 0.000 0.264 393 M C 1.925 178.238 176.300 0.021 0.000 1.064 393 M CA 2.130 57.447 55.300 0.028 0.000 1.093 393 M CB -0.888 31.731 32.600 0.030 0.000 1.401 393 M HN 0.623 nan 8.290 nan 0.000 0.440 394 D N 0.631 121.040 120.400 0.016 0.000 2.311 394 D HA -0.121 4.519 4.640 -0.000 0.000 0.212 394 D C 0.535 176.842 176.300 0.011 0.000 0.972 394 D CA 0.897 54.904 54.000 0.012 0.000 0.887 394 D CB -0.009 40.796 40.800 0.009 0.000 0.915 394 D HN 0.339 nan 8.370 nan 0.000 0.497 395 E N 0.433 120.640 120.200 0.012 0.000 3.269 395 E HA 0.312 4.662 4.350 -0.000 0.000 0.221 395 E C -0.185 176.422 176.600 0.012 0.000 1.113 395 E CA -0.110 56.296 56.400 0.010 0.000 1.385 395 E CB 0.828 30.532 29.700 0.007 0.000 1.345 395 E HN 0.274 nan 8.360 nan 0.000 0.435 396 L N 0.274 121.505 121.223 0.014 0.000 2.465 396 L HA 0.313 4.653 4.340 -0.000 0.000 0.257 396 L C 0.507 177.384 176.870 0.013 0.000 0.988 396 L CA -0.851 53.998 54.840 0.016 0.000 0.827 396 L CB 2.180 44.253 42.059 0.024 0.000 1.397 396 L HN 0.109 nan 8.230 nan 0.000 0.410 397 S N -0.313 115.394 115.700 0.012 0.000 2.640 397 S HA 0.237 4.707 4.470 -0.000 0.000 0.262 397 S C 0.764 175.370 174.600 0.009 0.000 1.232 397 S CA -0.550 57.655 58.200 0.009 0.000 0.988 397 S CB 0.861 64.066 63.200 0.008 0.000 1.034 397 S HN 0.630 nan 8.310 nan 0.000 0.569 398 E N 0.468 120.672 120.200 0.007 0.000 2.017 398 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 398 E C 2.024 178.628 176.600 0.006 0.000 0.997 398 E CA 1.154 57.558 56.400 0.005 0.000 0.804 398 E CB -0.539 29.163 29.700 0.003 0.000 0.757 398 E HN 0.622 nan 8.360 nan 0.000 0.448 399 Q N 0.509 120.313 119.800 0.006 0.000 2.369 399 Q HA -0.083 4.257 4.340 -0.000 0.000 0.206 399 Q C 1.464 177.470 176.000 0.011 0.000 0.963 399 Q CA 0.629 56.435 55.803 0.006 0.000 0.894 399 Q CB 0.070 28.811 28.738 0.005 0.000 0.965 399 Q HN 0.262 nan 8.270 nan 0.000 0.475 400 D N 0.803 121.212 120.400 0.014 0.000 2.123 400 D HA -0.146 4.494 4.640 -0.000 0.000 0.200 400 D C 1.790 178.107 176.300 0.028 0.000 0.976 400 D CA 1.286 55.300 54.000 0.023 0.000 0.831 400 D CB 0.146 40.959 40.800 0.022 0.000 0.974 400 D HN 0.418 nan 8.370 nan 0.000 0.469 401 K N 0.176 120.588 120.400 0.021 0.000 2.243 401 K HA -0.007 4.313 4.320 -0.000 0.000 0.201 401 K C 2.054 178.657 176.600 0.005 0.000 1.051 401 K CA 0.411 56.710 56.287 0.019 0.000 0.970 401 K CB -0.173 32.337 32.500 0.016 0.000 0.755 401 K HN -0.002 nan 8.250 nan 0.000 0.465 402 L N 2.417 123.641 121.223 0.001 0.000 2.131 402 L HA -0.055 4.285 4.340 -0.000 0.000 0.206 402 L C 2.229 179.086 176.870 -0.021 0.000 1.087 402 L CA 1.887 56.721 54.840 -0.009 0.000 0.767 402 L CB -0.397 41.659 42.059 -0.005 0.000 0.917 402 L HN 0.485 nan 8.230 nan 0.000 0.441 403 T N -4.800 109.747 114.554 -0.011 0.000 2.995 403 T HA -0.078 4.272 4.350 -0.000 0.000 0.269 403 T C 1.843 176.517 174.700 -0.043 0.000 1.091 403 T CA 1.063 63.153 62.100 -0.016 0.000 1.128 403 T CB -0.734 68.138 68.868 0.008 0.000 0.891 403 T HN 0.106 nan 8.240 nan 0.000 0.492 404 V N 1.535 121.432 119.914 -0.029 0.000 2.358 404 V HA -0.124 3.996 4.120 -0.000 0.000 0.246 404 V C 2.802 178.775 176.094 -0.203 0.000 1.047 404 V CA 1.995 64.247 62.300 -0.081 0.000 1.035 404 V CB -0.566 31.280 31.823 0.038 0.000 0.658 404 V HN 0.563 nan 8.190 nan 0.000 0.452 405 E N -0.047 120.085 120.200 -0.113 0.000 2.051 405 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 405 E C 2.471 178.979 176.600 -0.153 0.000 0.991 405 E CA 1.203 57.537 56.400 -0.111 0.000 0.799 405 E CB -0.023 29.646 29.700 -0.053 0.000 0.748 405 E HN 0.488 nan 8.360 nan 0.000 0.449 406 R N -0.104 120.317 120.500 -0.130 0.000 2.120 406 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 406 R C 2.262 178.458 176.300 -0.174 0.000 1.123 406 R CA 0.978 56.996 56.100 -0.136 0.000 0.975 406 R CB -0.162 30.094 30.300 -0.074 0.000 0.866 406 R HN 0.134 nan 8.270 nan 0.000 0.446 407 A N 1.121 123.808 122.820 -0.222 0.000 1.840 407 A HA -0.129 4.191 4.320 -0.000 0.000 0.214 407 A C 2.029 179.411 177.584 -0.336 0.000 1.198 407 A CA 1.023 52.894 52.037 -0.277 0.000 0.608 407 A CB -0.355 18.399 19.000 -0.411 0.000 0.839 407 A HN 0.170 nan 8.150 nan 0.000 0.443 408 R N -0.187 120.037 120.500 -0.459 0.000 2.127 408 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 408 R C 2.177 178.357 176.300 -0.201 0.000 1.134 408 R CA 1.744 57.655 56.100 -0.315 0.000 0.975 408 R CB -0.246 29.898 30.300 -0.260 0.000 0.865 408 R HN 0.523 nan 8.270 nan 0.000 0.447 409 K N 0.218 120.454 120.400 -0.273 0.000 2.031 409 K HA -0.039 4.281 4.320 -0.000 0.000 0.205 409 K C 2.103 178.402 176.600 -0.502 0.000 1.049 409 K CA 1.023 57.011 56.287 -0.499 0.000 0.939 409 K CB -0.060 32.000 32.500 -0.733 0.000 0.717 409 K HN 0.112 nan 8.250 nan 0.000 0.438 410 I N 1.428 121.840 120.570 -0.264 0.000 2.226 410 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 410 I C 2.801 178.988 176.117 0.116 0.000 1.100 410 I CA 1.257 62.580 61.300 0.038 0.000 1.374 410 I CB -0.192 37.898 38.000 0.151 0.000 1.057 410 I HN 0.284 nan 8.210 nan 0.000 0.413 411 Q N 0.838 120.640 119.800 0.003 0.000 2.045 411 Q HA -0.285 4.055 4.340 -0.000 0.000 0.206 411 Q C 2.394 178.395 176.000 0.003 0.000 0.991 411 Q CA 1.994 57.800 55.803 0.005 0.000 0.851 411 Q CB -0.040 28.682 28.738 -0.026 0.000 0.911 411 Q HN 0.366 nan 8.270 nan 0.000 0.418 412 R N -0.879 119.608 120.500 -0.023 0.000 2.115 412 R HA -0.109 4.231 4.340 -0.000 0.000 0.230 412 R C 2.085 178.455 176.300 0.117 0.000 1.111 412 R CA 1.037 57.102 56.100 -0.059 0.000 0.976 412 R CB -0.221 30.041 30.300 -0.063 0.000 0.870 412 R HN 0.274 nan 8.270 nan 0.000 0.445 413 F N 1.074 121.024 119.950 -0.000 0.000 2.365 413 F HA -0.043 4.484 4.527 -0.000 0.000 0.300 413 F C 1.522 177.412 175.800 0.151 0.000 1.090 413 F CA 0.953 58.985 58.000 0.053 0.000 1.408 413 F CB -0.105 38.804 39.000 -0.151 0.000 1.060 413 F HN -0.054 nan 8.300 nan 0.000 0.534 414 L N -0.294 121.030 121.223 0.169 0.000 2.291 414 L HA -0.082 4.258 4.340 -0.000 0.000 0.214 414 L C 1.494 178.377 176.870 0.021 0.000 1.120 414 L CA 0.566 55.459 54.840 0.088 0.000 0.799 414 L CB -0.763 41.332 42.059 0.060 0.000 0.925 414 L HN 0.118 nan 8.230 nan 0.000 0.446 415 S N -0.279 115.429 115.700 0.013 0.000 2.585 415 S HA 0.274 4.744 4.470 -0.000 0.000 0.273 415 S C -0.297 174.286 174.600 -0.028 0.000 1.339 415 S CA -0.480 57.716 58.200 -0.007 0.000 1.028 415 S CB 1.685 64.864 63.200 -0.035 0.000 0.906 415 S HN 0.288 nan 8.310 nan 0.000 0.528 416 Q N 0.990 120.724 119.800 -0.109 0.000 2.378 416 Q HA 0.414 4.754 4.340 -0.000 0.000 0.262 416 Q C -3.127 172.572 176.000 -0.501 0.000 0.978 416 Q CA -1.790 53.888 55.803 -0.208 0.000 0.918 416 Q CB 2.340 30.984 28.738 -0.156 0.000 1.415 416 Q HN 0.561 nan 8.270 nan 0.000 0.409 417 P HA 0.375 nan 4.420 nan 0.000 0.281 417 P C -1.168 175.905 177.300 -0.377 0.000 1.249 417 P CA -0.240 62.641 63.100 -0.365 0.000 0.810 417 P CB 0.548 32.178 31.700 -0.116 0.000 1.008 418 F N 0.022 119.997 119.950 0.041 0.000 2.458 418 F HA 0.478 5.005 4.527 -0.000 0.000 0.336 418 F C 1.589 177.401 175.800 0.021 0.000 1.114 418 F CA -0.944 57.071 58.000 0.024 0.000 0.987 418 F CB 0.880 39.892 39.000 0.019 0.000 1.130 418 F HN 0.363 nan 8.300 nan 0.000 0.458 419 A N 1.907 124.858 122.820 0.218 0.000 1.978 419 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 419 A C 1.980 179.627 177.584 0.105 0.000 1.170 419 A CA 2.171 54.279 52.037 0.120 0.000 0.636 419 A CB -0.969 18.082 19.000 0.085 0.000 0.810 419 A HN 0.748 nan 8.150 nan 0.000 0.448 420 V N -3.815 116.168 119.914 0.115 0.000 3.217 420 V HA 0.320 4.440 4.120 -0.000 0.000 0.264 420 V C 1.909 178.093 176.094 0.150 0.000 1.135 420 V CA 1.329 63.683 62.300 0.089 0.000 1.142 420 V CB -0.707 31.134 31.823 0.029 0.000 0.754 420 V HN 0.490 nan 8.190 nan 0.000 0.484 421 A N -0.230 122.704 122.820 0.189 0.000 2.345 421 A HA 0.284 4.604 4.320 -0.000 0.000 0.225 421 A C 1.915 179.616 177.584 0.195 0.000 1.243 421 A CA 0.499 52.671 52.037 0.225 0.000 0.875 421 A CB -0.289 18.826 19.000 0.191 0.000 0.929 421 A HN 0.568 nan 8.150 nan 0.000 0.502 422 E N 0.024 120.301 120.200 0.128 0.000 2.208 422 E HA -0.115 4.234 4.350 -0.000 0.000 0.193 422 E C 1.768 178.388 176.600 0.034 0.000 0.988 422 E CA 1.370 57.812 56.400 0.071 0.000 0.828 422 E CB -0.061 29.665 29.700 0.043 0.000 0.763 422 E HN 0.527 nan 8.360 nan 0.000 0.478 423 V N -1.428 118.488 119.914 0.004 0.000 2.913 423 V HA -0.139 3.981 4.120 -0.000 0.000 0.260 423 V C 1.515 177.417 176.094 -0.321 0.000 1.098 423 V CA 1.308 63.503 62.300 -0.176 0.000 1.121 423 V CB -0.667 30.985 31.823 -0.284 0.000 0.714 423 V HN 0.168 nan 8.190 nan 0.000 0.487 424 F N 1.186 121.126 119.950 -0.016 0.000 2.653 424 F HA 0.148 4.675 4.527 -0.000 0.000 0.288 424 F C 2.450 178.238 175.800 -0.021 0.000 1.121 424 F CA 1.027 59.015 58.000 -0.020 0.000 1.384 424 F CB 0.049 39.032 39.000 -0.027 0.000 1.115 424 F HN 0.264 nan 8.300 nan 0.000 0.599 425 T N -4.191 110.452 114.554 0.149 0.000 3.111 425 T HA 0.460 4.810 4.350 -0.000 0.000 0.236 425 T C 1.848 176.571 174.700 0.039 0.000 0.984 425 T CA 0.788 62.934 62.100 0.077 0.000 1.195 425 T CB 0.172 69.072 68.868 0.053 0.000 0.929 425 T HN 0.285 nan 8.240 nan 0.000 0.431 426 G N 1.281 110.099 108.800 0.031 0.000 2.179 426 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.220 426 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.220 426 G C -0.171 174.735 174.900 0.010 0.000 0.990 426 G CA -0.101 45.006 45.100 0.011 0.000 0.646 426 G HN 0.629 nan 8.290 nan 0.000 0.517 427 I N 3.145 123.724 120.570 0.015 0.000 2.325 427 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 427 I C -1.645 174.479 176.117 0.011 0.000 1.019 427 I CA -2.605 58.700 61.300 0.008 0.000 1.302 427 I CB 1.212 39.215 38.000 0.005 0.000 1.401 427 I HN -0.116 nan 8.210 nan 0.000 0.485 428 P HA 0.047 nan 4.420 nan 0.000 0.263 428 P C 0.317 177.625 177.300 0.013 0.000 1.345 428 P CA -0.156 62.951 63.100 0.011 0.000 1.119 428 P CB -0.139 31.564 31.700 0.006 0.000 1.363 429 G N 4.228 113.044 108.800 0.026 0.000 2.305 429 G HA2 0.058 4.018 3.960 -0.000 0.000 0.243 429 G HA3 0.058 4.018 3.960 -0.000 0.000 0.243 429 G C 0.010 174.930 174.900 0.033 0.000 1.288 429 G CA -0.351 44.765 45.100 0.027 0.000 0.901 429 G HN 0.274 nan 8.290 nan 0.000 0.516 430 K N 2.374 122.784 120.400 0.017 0.000 2.265 430 K HA 0.236 4.556 4.320 -0.000 0.000 0.267 430 K C -0.486 176.142 176.600 0.046 0.000 0.994 430 K CA -0.672 55.631 56.287 0.027 0.000 0.860 430 K CB 2.291 34.800 32.500 0.015 0.000 1.099 430 K HN 0.407 nan 8.250 nan 0.000 0.448 431 L N 4.913 126.169 121.223 0.054 0.000 2.302 431 L HA 0.156 4.496 4.340 -0.000 0.000 0.285 431 L C -0.209 176.688 176.870 0.045 0.000 1.090 431 L CA -0.603 54.275 54.840 0.062 0.000 0.866 431 L CB 0.448 42.541 42.059 0.057 0.000 1.244 431 L HN 0.240 nan 8.230 nan 0.000 0.435 432 V N 4.752 124.692 119.914 0.044 0.000 3.441 432 V HA 0.362 4.482 4.120 -0.000 0.000 0.300 432 V C 0.579 176.696 176.094 0.039 0.000 1.091 432 V CA -0.519 61.802 62.300 0.035 0.000 1.099 432 V CB 1.100 32.938 31.823 0.025 0.000 1.138 432 V HN 0.709 nan 8.190 nan 0.000 0.471 433 R N -0.246 120.277 120.500 0.037 0.000 2.888 433 R HA 0.432 4.772 4.340 -0.000 0.000 0.266 433 R C 0.519 176.848 176.300 0.049 0.000 1.020 433 R CA -0.933 55.192 56.100 0.040 0.000 0.963 433 R CB 1.621 31.939 30.300 0.029 0.000 1.197 433 R HN 0.520 nan 8.270 nan 0.000 0.481 434 L N 2.169 123.429 121.223 0.061 0.000 1.932 434 L HA -0.157 4.183 4.340 -0.000 0.000 0.217 434 L C 1.899 178.812 176.870 0.071 0.000 1.077 434 L CA 1.976 56.866 54.840 0.084 0.000 0.765 434 L CB -0.325 41.804 42.059 0.116 0.000 0.888 434 L HN 0.557 nan 8.230 nan 0.000 0.433 435 K N -0.863 119.580 120.400 0.070 0.000 2.228 435 K HA -0.257 4.063 4.320 -0.000 0.000 0.205 435 K C 1.710 178.341 176.600 0.052 0.000 1.045 435 K CA 1.715 58.039 56.287 0.061 0.000 0.931 435 K CB -0.235 32.297 32.500 0.054 0.000 0.727 435 K HN 0.471 nan 8.250 nan 0.000 0.458 436 D N -0.710 119.720 120.400 0.050 0.000 2.162 436 D HA -0.053 4.587 4.640 -0.000 0.000 0.205 436 D C 1.508 177.849 176.300 0.068 0.000 0.964 436 D CA 1.091 55.122 54.000 0.053 0.000 0.847 436 D CB 0.202 41.028 40.800 0.045 0.000 0.988 436 D HN 0.001 nan 8.370 nan 0.000 0.480 437 T N -0.415 114.178 114.554 0.065 0.000 2.788 437 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 437 T C 2.041 176.827 174.700 0.144 0.000 1.044 437 T CA 1.133 63.291 62.100 0.097 0.000 1.139 437 T CB -0.252 68.647 68.868 0.050 0.000 0.867 437 T HN -0.017 nan 8.240 nan 0.000 0.454 438 V N 1.762 121.698 119.914 0.036 0.000 2.270 438 V HA -0.097 4.023 4.120 -0.000 0.000 0.245 438 V C 2.935 179.077 176.094 0.080 0.000 1.043 438 V CA 1.595 63.887 62.300 -0.014 0.000 1.014 438 V CB -1.266 30.499 31.823 -0.096 0.000 0.645 438 V HN 0.512 nan 8.190 nan 0.000 0.447 439 A N -0.332 122.534 122.820 0.076 0.000 2.019 439 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 439 A C 2.449 180.090 177.584 0.096 0.000 1.164 439 A CA 2.045 54.130 52.037 0.080 0.000 0.644 439 A CB -0.549 18.490 19.000 0.064 0.000 0.805 439 A HN 0.506 nan 8.150 nan 0.000 0.449 440 S N -1.004 114.766 115.700 0.117 0.000 2.357 440 S HA -0.036 4.434 4.470 -0.000 0.000 0.221 440 S C 1.493 176.136 174.600 0.071 0.000 1.031 440 S CA 1.236 59.490 58.200 0.090 0.000 0.982 440 S CB -0.454 62.832 63.200 0.143 0.000 0.853 440 S HN 0.587 nan 8.310 nan 0.000 0.458 441 F N 1.696 121.714 119.950 0.114 0.000 2.456 441 F HA 0.151 4.678 4.527 -0.000 0.000 0.298 441 F C 2.221 178.050 175.800 0.049 0.000 1.104 441 F CA 0.644 58.701 58.000 0.095 0.000 1.435 441 F CB -0.066 38.947 39.000 0.022 0.000 1.078 441 F HN 0.068 nan 8.300 nan 0.000 0.546 442 K N 0.469 120.985 120.400 0.193 0.000 2.148 442 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 442 K C 2.237 178.903 176.600 0.111 0.000 1.050 442 K CA 0.993 57.354 56.287 0.122 0.000 0.942 442 K CB -0.152 32.401 32.500 0.090 0.000 0.724 442 K HN 0.205 nan 8.250 nan 0.000 0.446 443 A N 0.573 123.466 122.820 0.121 0.000 1.898 443 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 443 A C 2.134 179.838 177.584 0.200 0.000 1.181 443 A CA 1.467 53.610 52.037 0.178 0.000 0.620 443 A CB -0.475 18.669 19.000 0.240 0.000 0.819 443 A HN 0.152 nan 8.150 nan 0.000 0.442 444 V N -0.127 119.851 119.914 0.107 0.000 2.515 444 V HA -0.197 3.923 4.120 -0.000 0.000 0.250 444 V C 2.470 178.598 176.094 0.057 0.000 1.058 444 V CA 1.628 63.963 62.300 0.059 0.000 1.064 444 V CB -0.760 30.997 31.823 -0.110 0.000 0.675 444 V HN 0.525 nan 8.190 nan 0.000 0.461 445 L N -0.328 120.941 121.223 0.077 0.000 2.072 445 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 445 L C 2.535 179.431 176.870 0.043 0.000 1.079 445 L CA 1.499 56.374 54.840 0.058 0.000 0.752 445 L CB -0.426 41.674 42.059 0.067 0.000 0.906 445 L HN 0.329 nan 8.230 nan 0.000 0.436 446 E N -0.425 119.807 120.200 0.054 0.000 2.418 446 E HA -0.065 4.285 4.350 -0.000 0.000 0.197 446 E C 1.217 177.834 176.600 0.027 0.000 1.026 446 E CA 0.595 57.018 56.400 0.038 0.000 0.862 446 E CB 0.103 29.828 29.700 0.042 0.000 0.799 446 E HN 0.595 nan 8.360 nan 0.000 0.518 447 G N 1.210 110.031 108.800 0.036 0.000 2.154 447 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.186 447 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.186 447 G C 0.718 175.617 174.900 -0.001 0.000 1.000 447 G CA 0.266 45.376 45.100 0.017 0.000 0.664 447 G HN 0.152 nan 8.290 nan 0.000 0.513 448 K N -0.796 119.610 120.400 0.010 0.000 2.001 448 K HA 0.047 4.367 4.320 -0.000 0.000 0.208 448 K C 0.654 177.102 176.600 -0.253 0.000 1.048 448 K CA 1.305 57.508 56.287 -0.139 0.000 0.932 448 K CB -0.029 32.379 32.500 -0.153 0.000 0.715 448 K HN 0.472 nan 8.250 nan 0.000 0.437 449 Y N 0.892 121.189 120.300 -0.004 0.000 2.845 449 Y HA 0.100 4.650 4.550 -0.000 0.000 0.385 449 Y C -0.020 175.901 175.900 0.036 0.000 1.133 449 Y CA -0.459 57.652 58.100 0.018 0.000 1.660 449 Y CB 0.420 38.904 38.460 0.039 0.000 1.683 449 Y HN 0.049 nan 8.280 nan 0.000 0.503 450 D N -0.162 120.288 120.400 0.083 0.000 2.367 450 D HA -0.059 4.581 4.640 -0.000 0.000 0.207 450 D C 1.116 177.447 176.300 0.051 0.000 1.034 450 D CA 0.516 54.550 54.000 0.058 0.000 0.861 450 D CB 0.175 40.985 40.800 0.017 0.000 0.943 450 D HN 0.444 nan 8.370 nan 0.000 0.515 451 N N 0.194 118.916 118.700 0.037 0.000 2.230 451 N HA 0.028 4.768 4.740 -0.000 0.000 0.202 451 N C -0.336 175.198 175.510 0.040 0.000 1.119 451 N CA 0.033 53.097 53.050 0.024 0.000 0.851 451 N CB 0.376 38.857 38.487 -0.009 0.000 0.990 451 N HN -0.009 nan 8.380 nan 0.000 0.497 452 I N 2.126 122.748 120.570 0.088 0.000 2.353 452 I HA 0.363 4.533 4.170 -0.000 0.000 0.293 452 I C -2.006 174.170 176.117 0.098 0.000 0.992 452 I CA -2.736 58.604 61.300 0.067 0.000 1.268 452 I CB 0.839 38.880 38.000 0.068 0.000 1.387 452 I HN -0.085 nan 8.210 nan 0.000 0.478 453 P HA 0.088 nan 4.420 nan 0.000 0.269 453 P C 0.583 177.975 177.300 0.154 0.000 1.217 453 P CA -0.075 63.072 63.100 0.078 0.000 0.783 453 P CB 1.239 32.963 31.700 0.040 0.000 0.898 454 E N 0.034 120.365 120.200 0.218 0.000 2.077 454 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 454 E C 1.554 178.384 176.600 0.384 0.000 0.989 454 E CA 1.146 57.750 56.400 0.341 0.000 0.800 454 E CB -0.345 29.490 29.700 0.226 0.000 0.746 454 E HN 0.549 nan 8.360 nan 0.000 0.452 455 H N -0.443 118.715 119.070 0.146 0.000 2.567 455 H HA 0.103 4.659 4.556 -0.000 0.000 0.276 455 H C 1.238 176.603 175.328 0.061 0.000 1.016 455 H CA 0.754 56.893 56.048 0.151 0.000 1.186 455 H CB 0.058 29.862 29.762 0.070 0.000 1.351 455 H HN 0.150 nan 8.280 nan 0.000 0.605 456 A N -1.028 121.730 122.820 -0.102 0.000 2.178 456 A HA 0.072 4.392 4.320 -0.000 0.000 0.211 456 A C 1.318 178.633 177.584 -0.449 0.000 1.157 456 A CA 0.133 51.955 52.037 -0.358 0.000 0.780 456 A CB -0.483 18.200 19.000 -0.528 0.000 0.828 456 A HN 0.355 nan 8.150 nan 0.000 0.476 457 F N -2.494 117.438 119.950 -0.030 0.000 2.754 457 F HA 0.216 4.743 4.527 -0.000 0.000 0.297 457 F C 0.658 176.531 175.800 0.123 0.000 1.122 457 F CA -0.288 57.705 58.000 -0.013 0.000 1.400 457 F CB -0.168 38.790 39.000 -0.071 0.000 1.117 457 F HN 0.183 nan 8.300 nan 0.000 0.587 458 Y N 2.434 122.809 120.300 0.124 0.000 2.544 458 Y HA 0.083 4.633 4.550 -0.000 0.000 0.330 458 Y C 0.728 176.635 175.900 0.012 0.000 1.136 458 Y CA -0.667 57.474 58.100 0.068 0.000 1.417 458 Y CB 0.259 38.697 38.460 -0.036 0.000 1.229 458 Y HN -0.023 nan 8.280 nan 0.000 0.532 459 M N 4.494 124.251 119.600 0.262 0.000 2.350 459 M HA -0.170 4.310 4.480 -0.000 0.000 0.190 459 M C -1.208 175.140 176.300 0.080 0.000 0.710 459 M CA 0.632 56.022 55.300 0.151 0.000 0.495 459 M CB -2.998 29.698 32.600 0.161 0.000 1.136 459 M HN 0.317 nan 8.290 nan 0.000 0.901 460 V N -2.990 116.983 119.914 0.099 0.000 3.141 460 V HA 1.094 5.214 4.120 -0.000 0.000 0.312 460 V C 0.642 176.786 176.094 0.083 0.000 1.157 460 V CA -0.199 62.157 62.300 0.094 0.000 1.041 460 V CB 1.707 33.609 31.823 0.131 0.000 1.071 460 V HN 0.466 nan 8.190 nan 0.000 0.441 461 G N 0.125 108.970 108.800 0.074 0.000 3.411 461 G HA2 0.614 4.574 3.960 -0.000 0.000 0.186 461 G HA3 0.614 4.574 3.960 -0.000 0.000 0.186 461 G C 0.502 175.455 174.900 0.087 0.000 1.766 461 G CA -0.062 45.068 45.100 0.051 0.000 0.971 461 G HN 1.324 nan 8.290 nan 0.000 0.590 462 G N -0.649 108.193 108.800 0.071 0.000 2.489 462 G HA2 0.327 4.287 3.960 -0.000 0.000 0.271 462 G HA3 0.327 4.287 3.960 -0.000 0.000 0.271 462 G C 1.301 176.272 174.900 0.118 0.000 1.427 462 G CA 0.181 45.333 45.100 0.085 0.000 1.057 462 G HN 0.603 nan 8.290 nan 0.000 0.532 463 I N -1.587 119.027 120.570 0.072 0.000 2.286 463 I HA -0.068 4.102 4.170 -0.000 0.000 0.248 463 I C 2.064 178.157 176.117 -0.040 0.000 1.115 463 I CA 1.425 62.721 61.300 -0.005 0.000 1.392 463 I CB -0.417 37.571 38.000 -0.020 0.000 1.065 463 I HN 0.422 nan 8.210 nan 0.000 0.418 464 E N 1.172 121.368 120.200 -0.007 0.000 2.516 464 E HA -0.125 4.225 4.350 -0.000 0.000 0.199 464 E C 0.754 177.341 176.600 -0.022 0.000 1.069 464 E CA 0.710 57.102 56.400 -0.012 0.000 0.876 464 E CB -0.080 29.621 29.700 0.002 0.000 0.843 464 E HN 0.620 nan 8.360 nan 0.000 0.530 465 D N -0.868 119.521 120.400 -0.018 0.000 2.388 465 D HA -0.048 4.592 4.640 -0.000 0.000 0.208 465 D C 1.756 178.009 176.300 -0.079 0.000 1.035 465 D CA 0.231 54.217 54.000 -0.022 0.000 0.875 465 D CB 0.431 41.245 40.800 0.022 0.000 0.984 465 D HN -0.030 nan 8.370 nan 0.000 0.508 466 V N 0.413 120.244 119.914 -0.138 0.000 2.407 466 V HA -0.130 3.990 4.120 -0.000 0.000 0.245 466 V C 2.346 178.286 176.094 -0.258 0.000 1.041 466 V CA 0.924 63.037 62.300 -0.312 0.000 1.040 466 V CB -0.511 30.999 31.823 -0.521 0.000 0.671 466 V HN 0.081 nan 8.190 nan 0.000 0.455 467 V N 0.703 120.522 119.914 -0.158 0.000 2.548 467 V HA -0.137 3.983 4.120 -0.000 0.000 0.249 467 V C 2.717 178.767 176.094 -0.073 0.000 1.055 467 V CA 1.678 63.930 62.300 -0.081 0.000 1.065 467 V CB -1.149 30.663 31.823 -0.019 0.000 0.681 467 V HN 0.515 nan 8.190 nan 0.000 0.462 468 A N -0.133 122.643 122.820 -0.074 0.000 1.898 468 A HA -0.188 4.131 4.320 -0.000 0.000 0.216 468 A C 2.294 179.835 177.584 -0.071 0.000 1.181 468 A CA 1.920 53.922 52.037 -0.058 0.000 0.620 468 A CB -0.323 18.650 19.000 -0.045 0.000 0.819 468 A HN 0.471 nan 8.150 nan 0.000 0.442 469 K N -0.805 119.535 120.400 -0.101 0.000 2.379 469 K HA 0.299 4.619 4.320 -0.000 0.000 0.194 469 K C 1.666 178.192 176.600 -0.124 0.000 1.031 469 K CA 0.576 56.798 56.287 -0.109 0.000 1.037 469 K CB -0.029 32.396 32.500 -0.125 0.000 0.824 469 K HN 0.380 nan 8.250 nan 0.000 0.516 470 A N 0.726 123.462 122.820 -0.141 0.000 2.119 470 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 470 A C 1.398 178.937 177.584 -0.075 0.000 1.152 470 A CA 0.961 52.920 52.037 -0.130 0.000 0.708 470 A CB -0.070 18.842 19.000 -0.146 0.000 0.805 470 A HN 0.325 nan 8.150 nan 0.000 0.460 471 E N -0.636 119.527 120.200 -0.062 0.000 2.251 471 E HA 0.028 4.378 4.350 -0.000 0.000 0.194 471 E C 1.537 178.115 176.600 -0.037 0.000 0.964 471 E CA 0.371 56.746 56.400 -0.042 0.000 0.868 471 E CB 0.063 29.742 29.700 -0.034 0.000 0.828 471 E HN 0.460 nan 8.360 nan 0.000 0.481 472 K N 0.494 120.869 120.400 -0.042 0.000 2.365 472 K HA 0.087 4.407 4.320 -0.000 0.000 0.197 472 K C 1.709 178.289 176.600 -0.032 0.000 1.042 472 K CA 0.329 56.595 56.287 -0.035 0.000 0.987 472 K CB 0.317 32.795 32.500 -0.037 0.000 0.779 472 K HN 0.065 nan 8.250 nan 0.000 0.484 473 L N -0.277 120.923 121.223 -0.039 0.000 2.477 473 L HA 0.069 4.409 4.340 -0.000 0.000 0.220 473 L C 2.160 179.020 176.870 -0.018 0.000 1.106 473 L CA 0.115 54.940 54.840 -0.025 0.000 0.851 473 L CB -0.073 41.969 42.059 -0.028 0.000 0.994 473 L HN 0.116 nan 8.230 nan 0.000 0.462 474 A N 0.417 123.223 122.820 -0.024 0.000 1.832 474 A HA 0.288 4.608 4.320 -0.000 0.000 0.214 474 A C 1.297 178.873 177.584 -0.014 0.000 1.204 474 A CA 1.283 53.309 52.037 -0.019 0.000 0.606 474 A CB -0.353 18.633 19.000 -0.022 0.000 0.849 474 A HN 0.306 nan 8.150 nan 0.000 0.445 475 A N 0.000 122.811 122.820 -0.015 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 52.029 52.037 -0.012 0.000 0.836 475 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486