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 3iwj_1_B DATA FIRST_RESID 4 DATA SEQUENCE PIPTRQLFIN GDWKAPVLNK RIPVINPATQ NIIGDIPAAT KEDVDVAVAA DATA SEQUENCE AKTALTRNKG ADWATASGAV RARYLRAIAA KVTEKKPELA KLESIDCGKP DATA SEQUENCE LDEAAWDIDD VAGCFEYYAD LAEKLDARQK APVSLPMDTF KSHVLREPIG DATA SEQUENCE VVGLITPWNY PMLMATWKVA PALAAGCAAI LKPSELASLT CLELGEICKE DATA SEQUENCE VGLPPGVLNI LTGLGPEAGA PLATHPDVDK VAFTGSSATG SKIMTAAAQL DATA SEQUENCE VKPVSLELGG KSPLVVFEDV DLDKAAEWAI FGCFWTNGQI CSATSRLILH DATA SEQUENCE ESIATEFLNR IVKWIKNIKI SDPLEEGCRL GPVVSEGQYE KILKFVSNAK DATA SEQUENCE SEGATILTGG SRPEHLKKGF FIEPTIITDV TTNMQIWREE VFGPVLCVKT DATA SEQUENCE FSTEEEAIDL ANDTVYGLGA AVISNDLERC ERVTKAFKAG IVWVNCSQPC DATA SEQUENCE FTQAPWGGVK RSGFGRELGE WGLDNYLSVK QVTQYISEEP WGWYQPPAKL 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.286 177.300 -0.023 0.000 1.155 4 P CA 0.000 63.088 63.100 -0.019 0.000 0.800 4 P CB 0.000 31.691 31.700 -0.015 0.000 0.726 5 I N 4.108 124.662 120.570 -0.026 0.000 2.396 5 I HA 0.301 4.455 4.170 -0.026 0.000 0.289 5 I C -2.021 174.070 176.117 -0.042 0.000 1.056 5 I CA -1.601 59.682 61.300 -0.030 0.000 1.365 5 I CB 0.268 38.252 38.000 -0.027 0.000 1.407 5 I HN -0.006 nan 8.210 nan 0.000 0.509 6 P HA 0.126 nan 4.420 nan 0.000 0.272 6 P C -0.430 176.812 177.300 -0.097 0.000 1.223 6 P CA -0.444 62.607 63.100 -0.081 0.000 0.784 6 P CB 0.500 32.146 31.700 -0.091 0.000 0.923 7 T N 3.015 117.493 114.554 -0.126 0.000 2.770 7 T HA 0.456 4.790 4.350 -0.026 0.000 0.283 7 T C -0.462 174.105 174.700 -0.222 0.000 0.988 7 T CA -0.705 61.316 62.100 -0.132 0.000 0.957 7 T CB -0.091 68.718 68.868 -0.099 0.000 0.930 7 T HN 0.176 nan 8.240 nan 0.000 0.443 8 R N 3.313 123.681 120.500 -0.219 0.000 2.867 8 R HA 0.529 4.853 4.340 -0.026 0.000 0.268 8 R C -0.353 175.852 176.300 -0.159 0.000 1.014 8 R CA -0.936 54.941 56.100 -0.372 0.000 0.946 8 R CB 1.529 31.553 30.300 -0.460 0.000 1.208 8 R HN 0.617 nan 8.270 nan 0.000 0.477 9 Q N 0.563 120.313 119.800 -0.083 0.000 2.199 9 Q HA 0.482 4.806 4.340 -0.026 0.000 0.205 9 Q C 0.202 176.439 176.000 0.396 0.000 1.001 9 Q CA -0.911 55.001 55.803 0.182 0.000 1.019 9 Q CB 0.660 29.548 28.738 0.250 0.000 1.132 9 Q HN 0.393 nan 8.270 nan 0.000 0.530 10 L N 0.566 121.975 121.223 0.310 0.000 2.461 10 L HA 0.149 4.473 4.340 -0.026 0.000 0.272 10 L C 0.101 177.195 176.870 0.373 0.000 1.197 10 L CA -0.081 54.936 54.840 0.296 0.000 0.836 10 L CB -0.075 42.076 42.059 0.153 0.000 1.105 10 L HN 0.380 nan 8.230 nan 0.000 0.477 11 F N 4.128 124.123 119.950 0.076 0.000 2.334 11 F HA 0.584 5.095 4.527 -0.027 0.000 0.367 11 F C -0.348 175.353 175.800 -0.165 0.000 1.115 11 F CA -0.388 57.484 58.000 -0.214 0.000 1.116 11 F CB 0.388 39.126 39.000 -0.437 0.000 1.230 11 F HN 0.147 nan 8.300 nan 0.000 0.484 12 I N 5.310 125.520 120.570 -0.601 0.000 2.569 12 I HA 0.209 4.364 4.170 -0.026 0.000 0.290 12 I C -0.238 175.544 176.117 -0.558 0.000 1.088 12 I CA -1.142 59.897 61.300 -0.436 0.000 1.047 12 I CB 1.832 39.713 38.000 -0.198 0.000 1.237 12 I HN 0.554 nan 8.210 nan 0.000 0.421 13 N N 4.606 123.023 118.700 -0.473 0.000 2.725 13 N HA -0.190 4.534 4.740 -0.026 0.000 0.251 13 N C 0.744 175.969 175.510 -0.475 0.000 1.031 13 N CA 1.428 54.250 53.050 -0.381 0.000 0.720 13 N CB -0.705 37.636 38.487 -0.244 0.000 0.930 13 N HN 1.171 nan 8.380 nan 0.000 0.543 14 G N -1.513 106.849 108.800 -0.731 0.000 2.179 14 G HA2 -0.289 3.655 3.960 -0.026 0.000 0.260 14 G HA3 -0.289 3.655 3.960 -0.026 0.000 0.260 14 G C -0.169 174.347 174.900 -0.640 0.000 0.977 14 G CA 0.574 45.325 45.100 -0.582 0.000 0.641 14 G HN 0.779 nan 8.290 nan 0.000 0.533 15 D N -1.741 118.116 120.400 -0.905 0.000 2.596 15 D HA 0.535 5.159 4.640 -0.026 0.000 0.262 15 D C -0.554 175.394 176.300 -0.587 0.000 1.210 15 D CA -0.842 52.823 54.000 -0.558 0.000 0.873 15 D CB 0.615 41.280 40.800 -0.224 0.000 1.408 15 D HN 0.115 nan 8.370 nan 0.000 0.441 16 W N 1.265 122.574 121.300 0.015 0.000 2.218 16 W HA 0.446 5.090 4.660 -0.025 0.000 0.326 16 W C 0.661 177.174 176.519 -0.010 0.000 1.276 16 W CA -0.211 57.169 57.345 0.059 0.000 1.210 16 W CB 0.634 30.153 29.460 0.099 0.000 1.143 16 W HN -0.017 nan 8.180 nan 0.000 0.563 17 K N 1.903 122.451 120.400 0.247 0.000 2.565 17 K HA 0.546 4.850 4.320 -0.026 0.000 0.251 17 K C -0.646 176.025 176.600 0.118 0.000 0.956 17 K CA -0.773 55.584 56.287 0.116 0.000 0.809 17 K CB 1.281 33.793 32.500 0.019 0.000 1.267 17 K HN 0.556 nan 8.250 nan 0.000 0.438 18 A N 4.645 127.517 122.820 0.087 0.000 2.498 18 A HA 0.301 4.605 4.320 -0.026 0.000 0.239 18 A C -2.302 175.315 177.584 0.055 0.000 1.068 18 A CA -0.717 51.360 52.037 0.067 0.000 0.766 18 A CB -0.450 18.578 19.000 0.046 0.000 1.003 18 A HN 0.431 nan 8.150 nan 0.000 0.497 19 P HA 0.089 nan 4.420 nan 0.000 0.267 19 P C 1.091 178.410 177.300 0.032 0.000 1.200 19 P CA -0.292 62.834 63.100 0.043 0.000 0.772 19 P CB 0.449 32.174 31.700 0.042 0.000 0.855 20 V N 3.012 122.942 119.914 0.027 0.000 2.332 20 V HA -0.219 3.885 4.120 -0.026 0.000 0.248 20 V C 1.920 178.025 176.094 0.019 0.000 1.055 20 V CA 1.907 64.219 62.300 0.021 0.000 1.038 20 V CB -0.882 30.952 31.823 0.018 0.000 0.651 20 V HN 0.528 nan 8.190 nan 0.000 0.450 21 L N -0.334 120.901 121.223 0.020 0.000 2.592 21 L HA 0.226 4.550 4.340 -0.026 0.000 0.227 21 L C 1.188 178.069 176.870 0.017 0.000 1.127 21 L CA 0.344 55.194 54.840 0.017 0.000 0.884 21 L CB -0.636 41.433 42.059 0.016 0.000 1.065 21 L HN 0.482 nan 8.230 nan 0.000 0.457 22 N N 1.065 119.777 118.700 0.021 0.000 2.714 22 N HA -0.243 4.481 4.740 -0.026 0.000 0.250 22 N C 0.353 175.873 175.510 0.018 0.000 1.117 22 N CA 0.810 53.872 53.050 0.020 0.000 0.719 22 N CB -0.656 37.841 38.487 0.016 0.000 1.081 22 N HN 0.366 nan 8.380 nan 0.000 0.557 23 K N 0.481 120.893 120.400 0.019 0.000 2.168 23 K HA 0.358 4.662 4.320 -0.026 0.000 0.258 23 K C -0.191 176.420 176.600 0.019 0.000 1.010 23 K CA -0.106 56.192 56.287 0.017 0.000 0.929 23 K CB 0.538 33.048 32.500 0.017 0.000 0.998 23 K HN 0.180 nan 8.250 nan 0.000 0.479 24 R N 2.404 122.913 120.500 0.014 0.000 2.774 24 R HA 0.479 4.803 4.340 -0.026 0.000 0.272 24 R C -0.771 175.535 176.300 0.010 0.000 1.000 24 R CA -0.862 55.246 56.100 0.013 0.000 0.906 24 R CB 1.436 31.740 30.300 0.007 0.000 1.227 24 R HN 0.666 nan 8.270 nan 0.000 0.468 25 I N -1.625 118.951 120.570 0.010 0.000 2.785 25 I HA 0.616 4.770 4.170 -0.026 0.000 0.302 25 I C -2.673 173.445 176.117 0.000 0.000 1.069 25 I CA -3.164 58.139 61.300 0.006 0.000 1.045 25 I CB 2.179 40.184 38.000 0.010 0.000 1.236 25 I HN 0.213 nan 8.210 nan 0.000 0.429 26 P HA 0.130 nan 4.420 nan 0.000 0.269 26 P C -0.781 176.513 177.300 -0.011 0.000 1.215 26 P CA -0.145 62.950 63.100 -0.008 0.000 0.780 26 P CB 0.743 32.438 31.700 -0.009 0.000 0.898 27 V N 4.155 124.061 119.914 -0.014 0.000 2.384 27 V HA 0.327 4.432 4.120 -0.026 0.000 0.287 27 V C 0.188 176.271 176.094 -0.020 0.000 1.020 27 V CA -0.481 61.809 62.300 -0.017 0.000 0.850 27 V CB 1.124 32.937 31.823 -0.017 0.000 0.987 27 V HN 0.351 nan 8.190 nan 0.000 0.436 28 I N 3.628 124.186 120.570 -0.020 0.000 2.412 28 I HA 0.356 4.510 4.170 -0.026 0.000 0.296 28 I C 0.246 176.347 176.117 -0.026 0.000 0.987 28 I CA -0.326 60.967 61.300 -0.012 0.000 1.180 28 I CB 1.605 39.621 38.000 0.026 0.000 1.340 28 I HN 0.688 nan 8.210 nan 0.000 0.455 29 N N 8.060 126.731 118.700 -0.048 0.000 2.437 29 N HA 0.220 4.944 4.740 -0.026 0.000 0.243 29 N C -1.599 173.833 175.510 -0.130 0.000 1.041 29 N CA -1.460 51.544 53.050 -0.076 0.000 0.940 29 N CB 1.403 39.845 38.487 -0.076 0.000 1.133 29 N HN 0.332 nan 8.380 nan 0.000 0.506 30 P HA -0.134 nan 4.420 nan 0.000 0.222 30 P C 0.640 177.651 177.300 -0.482 0.000 1.147 30 P CA 0.826 63.828 63.100 -0.164 0.000 0.790 30 P CB 0.219 31.881 31.700 -0.063 0.000 0.780 31 A N -0.095 122.525 122.820 -0.333 0.000 2.119 31 A HA -0.006 4.299 4.320 -0.026 0.000 0.216 31 A C 1.995 179.472 177.584 -0.179 0.000 1.152 31 A CA 1.915 53.791 52.037 -0.269 0.000 0.708 31 A CB -1.035 17.944 19.000 -0.036 0.000 0.805 31 A HN 0.387 nan 8.150 nan 0.000 0.460 32 T N -6.084 108.320 114.554 -0.250 0.000 2.969 32 T HA 0.217 4.552 4.350 -0.026 0.000 0.258 32 T C 0.673 175.206 174.700 -0.279 0.000 0.962 32 T CA 0.755 62.737 62.100 -0.197 0.000 0.903 32 T CB -0.049 68.751 68.868 -0.114 0.000 1.177 32 T HN 0.450 nan 8.240 nan 0.000 0.511 33 Q N 0.415 119.982 119.800 -0.387 0.000 2.374 33 Q HA -0.131 4.194 4.340 -0.026 0.000 0.218 33 Q C -0.853 175.070 176.000 -0.128 0.000 0.691 33 Q CA 0.721 56.325 55.803 -0.332 0.000 1.340 33 Q CB -1.835 26.669 28.738 -0.389 0.000 1.498 33 Q HN 0.530 nan 8.270 nan 0.000 0.739 34 N N 1.156 119.790 118.700 -0.109 0.000 2.518 34 N HA 0.344 5.068 4.740 -0.026 0.000 0.283 34 N C 0.115 175.599 175.510 -0.043 0.000 1.119 34 N CA -0.172 52.840 53.050 -0.063 0.000 0.983 34 N CB 0.570 39.022 38.487 -0.059 0.000 1.139 34 N HN 0.174 nan 8.380 nan 0.000 0.465 35 I N 2.402 122.955 120.570 -0.029 0.000 2.587 35 I HA 0.006 4.161 4.170 -0.026 0.000 0.284 35 I C 1.538 177.639 176.117 -0.026 0.000 1.134 35 I CA 0.194 61.481 61.300 -0.022 0.000 1.410 35 I CB 0.153 38.143 38.000 -0.016 0.000 1.392 35 I HN 0.553 nan 8.210 nan 0.000 0.545 36 I N 2.493 123.048 120.570 -0.026 0.000 4.081 36 I HA 0.654 4.809 4.170 -0.026 0.000 0.333 36 I C 0.598 176.700 176.117 -0.025 0.000 1.413 36 I CA -0.216 61.068 61.300 -0.027 0.000 1.110 36 I CB 0.370 38.352 38.000 -0.030 0.000 1.082 36 I HN 0.693 nan 8.210 nan 0.000 0.402 37 G N 1.615 110.401 108.800 -0.023 0.000 2.350 37 G HA2 0.282 4.227 3.960 -0.026 0.000 0.276 37 G HA3 0.282 4.227 3.960 -0.026 0.000 0.276 37 G C -2.373 172.515 174.900 -0.020 0.000 1.313 37 G CA -0.020 45.066 45.100 -0.024 0.000 0.903 37 G HN 0.413 nan 8.290 nan 0.000 0.490 38 D N -1.319 119.069 120.400 -0.020 0.000 2.583 38 D HA 0.645 5.269 4.640 -0.026 0.000 0.248 38 D C -0.267 176.026 176.300 -0.012 0.000 1.209 38 D CA -0.446 53.546 54.000 -0.013 0.000 0.848 38 D CB 1.496 42.289 40.800 -0.011 0.000 1.431 38 D HN 1.271 nan 8.370 nan 0.000 0.436 39 I N -4.098 116.472 120.570 0.001 0.000 2.740 39 I HA 0.661 4.816 4.170 -0.026 0.000 0.303 39 I C -2.742 173.389 176.117 0.024 0.000 1.044 39 I CA -2.702 58.605 61.300 0.012 0.000 1.064 39 I CB 2.642 40.657 38.000 0.025 0.000 1.249 39 I HN 0.034 nan 8.210 nan 0.000 0.433 40 P HA 0.153 nan 4.420 nan 0.000 0.271 40 P C -0.804 176.526 177.300 0.050 0.000 1.218 40 P CA -0.173 62.955 63.100 0.047 0.000 0.780 40 P CB 1.119 32.861 31.700 0.070 0.000 0.901 41 A N 2.437 125.283 122.820 0.042 0.000 2.394 41 A HA 0.600 4.904 4.320 -0.026 0.000 0.333 41 A C 0.422 178.032 177.584 0.043 0.000 1.397 41 A CA -0.691 51.371 52.037 0.041 0.000 0.884 41 A CB -0.156 18.862 19.000 0.031 0.000 1.147 41 A HN 0.596 nan 8.150 nan 0.000 0.505 42 A N 2.389 125.240 122.820 0.051 0.000 2.386 42 A HA 0.667 4.971 4.320 -0.026 0.000 0.248 42 A C 0.899 178.509 177.584 0.043 0.000 1.082 42 A CA 0.600 52.666 52.037 0.050 0.000 0.789 42 A CB 0.027 19.062 19.000 0.057 0.000 1.025 42 A HN 1.366 nan 8.150 nan 0.000 0.490 43 T N -1.317 113.261 114.554 0.040 0.000 2.773 43 T HA 0.415 4.750 4.350 -0.026 0.000 0.278 43 T C 1.030 175.754 174.700 0.040 0.000 1.011 43 T CA -0.226 61.895 62.100 0.036 0.000 1.014 43 T CB 1.125 70.010 68.868 0.029 0.000 1.293 43 T HN 0.618 nan 8.240 nan 0.000 0.554 44 K N 0.604 121.026 120.400 0.037 0.000 2.074 44 K HA -0.189 4.116 4.320 -0.026 0.000 0.209 44 K C 1.974 178.603 176.600 0.048 0.000 1.048 44 K CA 2.056 58.369 56.287 0.044 0.000 0.926 44 K CB -0.190 32.329 32.500 0.031 0.000 0.713 44 K HN 0.735 nan 8.250 nan 0.000 0.444 45 E N 0.412 120.633 120.200 0.035 0.000 2.268 45 E HA -0.192 4.142 4.350 -0.026 0.000 0.195 45 E C 0.991 177.612 176.600 0.035 0.000 0.995 45 E CA 0.999 57.419 56.400 0.033 0.000 0.836 45 E CB -0.117 29.596 29.700 0.023 0.000 0.763 45 E HN 0.456 nan 8.360 nan 0.000 0.491 46 D N 1.314 121.736 120.400 0.036 0.000 2.162 46 D HA -0.041 4.584 4.640 -0.026 0.000 0.205 46 D C 2.277 178.597 176.300 0.034 0.000 0.964 46 D CA 0.676 54.695 54.000 0.032 0.000 0.847 46 D CB -0.082 40.740 40.800 0.037 0.000 0.988 46 D HN 0.052 nan 8.370 nan 0.000 0.480 47 V N 2.223 122.167 119.914 0.050 0.000 2.252 47 V HA -0.251 3.853 4.120 -0.026 0.000 0.249 47 V C 1.997 178.134 176.094 0.071 0.000 1.056 47 V CA 1.882 64.217 62.300 0.059 0.000 1.022 47 V CB -0.480 31.396 31.823 0.089 0.000 0.641 47 V HN 0.057 nan 8.190 nan 0.000 0.445 48 D N -0.054 120.415 120.400 0.115 0.000 2.133 48 D HA -0.153 4.471 4.640 -0.026 0.000 0.195 48 D C 2.145 178.492 176.300 0.077 0.000 0.997 48 D CA 1.503 55.596 54.000 0.154 0.000 0.840 48 D CB -0.401 40.467 40.800 0.114 0.000 0.947 48 D HN 0.344 nan 8.370 nan 0.000 0.452 49 V N 1.238 121.172 119.914 0.034 0.000 2.358 49 V HA -0.212 3.892 4.120 -0.026 0.000 0.246 49 V C 2.512 178.589 176.094 -0.029 0.000 1.047 49 V CA 1.774 64.075 62.300 0.000 0.000 1.035 49 V CB -0.759 31.059 31.823 -0.008 0.000 0.658 49 V HN 0.191 nan 8.190 nan 0.000 0.452 50 A N -0.281 122.519 122.820 -0.033 0.000 1.902 50 A HA -0.144 4.161 4.320 -0.026 0.000 0.217 50 A C 2.396 179.930 177.584 -0.083 0.000 1.181 50 A CA 2.003 54.004 52.037 -0.061 0.000 0.623 50 A CB -0.668 18.307 19.000 -0.041 0.000 0.818 50 A HN 0.319 nan 8.150 nan 0.000 0.443 51 V N -0.052 119.800 119.914 -0.103 0.000 2.295 51 V HA -0.262 3.843 4.120 -0.026 0.000 0.246 51 V C 3.088 179.106 176.094 -0.127 0.000 1.049 51 V CA 1.989 64.173 62.300 -0.193 0.000 1.024 51 V CB -1.303 30.222 31.823 -0.496 0.000 0.648 51 V HN 0.618 nan 8.190 nan 0.000 0.447 52 A N 0.024 122.806 122.820 -0.063 0.000 1.917 52 A HA -0.209 4.096 4.320 -0.026 0.000 0.219 52 A C 2.415 179.970 177.584 -0.048 0.000 1.182 52 A CA 2.404 54.425 52.037 -0.028 0.000 0.633 52 A CB -0.850 18.152 19.000 0.003 0.000 0.819 52 A HN 0.610 nan 8.150 nan 0.000 0.448 53 A N -0.341 122.438 122.820 -0.067 0.000 1.933 53 A HA 0.177 4.481 4.320 -0.026 0.000 0.218 53 A C 2.503 180.031 177.584 -0.094 0.000 1.175 53 A CA 2.056 54.040 52.037 -0.088 0.000 0.628 53 A CB -0.980 17.949 19.000 -0.119 0.000 0.814 53 A HN 1.078 nan 8.150 nan 0.000 0.444 54 A N -0.060 122.704 122.820 -0.093 0.000 1.877 54 A HA -0.171 4.133 4.320 -0.026 0.000 0.216 54 A C 2.105 179.656 177.584 -0.055 0.000 1.186 54 A CA 1.822 53.808 52.037 -0.086 0.000 0.620 54 A CB -0.476 18.474 19.000 -0.082 0.000 0.822 54 A HN 0.536 nan 8.150 nan 0.000 0.443 55 K N -0.860 119.512 120.400 -0.047 0.000 2.001 55 K HA -0.156 4.148 4.320 -0.026 0.000 0.214 55 K C 2.146 178.739 176.600 -0.013 0.000 1.050 55 K CA 2.039 58.314 56.287 -0.021 0.000 0.934 55 K CB -0.664 31.828 32.500 -0.015 0.000 0.718 55 K HN 0.507 nan 8.250 nan 0.000 0.443 56 T N 1.079 115.618 114.554 -0.024 0.000 2.720 56 T HA -0.165 4.169 4.350 -0.026 0.000 0.268 56 T C 1.976 176.663 174.700 -0.021 0.000 1.037 56 T CA 1.410 63.497 62.100 -0.021 0.000 1.144 56 T CB -0.300 68.549 68.868 -0.031 0.000 0.864 56 T HN 0.365 nan 8.240 nan 0.000 0.444 57 A N 0.933 123.728 122.820 -0.042 0.000 2.019 57 A HA 0.044 4.348 4.320 -0.026 0.000 0.219 57 A C 2.245 179.838 177.584 0.015 0.000 1.164 57 A CA 1.084 53.092 52.037 -0.049 0.000 0.644 57 A CB -0.705 18.222 19.000 -0.122 0.000 0.805 57 A HN 0.500 nan 8.150 nan 0.000 0.449 58 L N -0.641 120.601 121.223 0.032 0.000 2.131 58 L HA -0.078 4.246 4.340 -0.026 0.000 0.206 58 L C 2.841 179.748 176.870 0.062 0.000 1.087 58 L CA 1.640 56.526 54.840 0.077 0.000 0.767 58 L CB -0.479 41.620 42.059 0.067 0.000 0.917 58 L HN 0.613 nan 8.230 nan 0.000 0.441 59 T N -3.244 111.332 114.554 0.037 0.000 3.044 59 T HA -0.044 4.291 4.350 -0.026 0.000 0.255 59 T C 1.209 175.927 174.700 0.029 0.000 1.073 59 T CA -0.347 61.772 62.100 0.031 0.000 1.125 59 T CB -0.111 68.770 68.868 0.022 0.000 0.908 59 T HN 0.071 nan 8.240 nan 0.000 0.480 60 R N 2.215 122.730 120.500 0.025 0.000 2.523 60 R HA -0.079 4.245 4.340 -0.026 0.000 0.281 60 R C -0.276 176.044 176.300 0.032 0.000 0.969 60 R CA 0.595 56.708 56.100 0.021 0.000 1.093 60 R CB -0.254 30.054 30.300 0.012 0.000 0.917 60 R HN 0.362 nan 8.270 nan 0.000 0.408 61 N N 3.213 121.929 118.700 0.026 0.000 2.721 61 N HA -0.216 4.509 4.740 -0.026 0.000 0.249 61 N C -0.766 174.763 175.510 0.032 0.000 1.072 61 N CA 1.774 54.842 53.050 0.029 0.000 0.710 61 N CB -0.725 37.783 38.487 0.036 0.000 0.993 61 N HN 0.758 nan 8.380 nan 0.000 0.547 62 K N -2.347 118.070 120.400 0.029 0.000 3.160 62 K HA -0.221 4.083 4.320 -0.026 0.000 0.280 62 K C 0.929 177.549 176.600 0.035 0.000 1.154 62 K CA 1.137 57.441 56.287 0.028 0.000 0.822 62 K CB -1.702 30.812 32.500 0.023 0.000 1.239 62 K HN 0.744 nan 8.250 nan 0.000 0.489 63 G N -1.254 107.574 108.800 0.046 0.000 2.155 63 G HA2 -0.334 3.611 3.960 -0.026 0.000 0.257 63 G HA3 -0.334 3.611 3.960 -0.026 0.000 0.257 63 G C 0.975 175.915 174.900 0.067 0.000 0.983 63 G CA 0.697 45.834 45.100 0.063 0.000 0.676 63 G HN 0.803 nan 8.290 nan 0.000 0.528 64 A N -0.109 122.746 122.820 0.059 0.000 2.067 64 A HA 0.136 4.440 4.320 -0.026 0.000 0.219 64 A C 1.950 179.583 177.584 0.082 0.000 1.158 64 A CA 2.072 54.142 52.037 0.054 0.000 0.661 64 A CB -0.174 18.852 19.000 0.044 0.000 0.801 64 A HN 0.426 nan 8.150 nan 0.000 0.452 65 D N -2.657 117.814 120.400 0.118 0.000 2.305 65 D HA -0.022 4.603 4.640 -0.026 0.000 0.206 65 D C 1.321 177.794 176.300 0.288 0.000 0.974 65 D CA 0.471 54.578 54.000 0.177 0.000 0.871 65 D CB 0.103 40.994 40.800 0.152 0.000 0.947 65 D HN 0.790 nan 8.370 nan 0.000 0.516 66 W N 0.215 121.512 121.300 -0.006 0.000 4.714 66 W HA 0.231 4.874 4.660 -0.028 0.000 0.177 66 W C 1.725 178.242 176.519 -0.003 0.000 2.961 66 W CA 0.572 57.902 57.345 -0.025 0.000 1.926 66 W CB -0.096 29.319 29.460 -0.074 0.000 1.627 66 W HN -0.121 nan 8.180 nan 0.000 0.726 67 A N 0.913 123.808 122.820 0.126 0.000 1.883 67 A HA -0.254 4.050 4.320 -0.026 0.000 0.217 67 A C 1.670 179.227 177.584 -0.045 0.000 1.186 67 A CA 3.506 55.559 52.037 0.027 0.000 0.624 67 A CB -1.466 17.597 19.000 0.106 0.000 0.822 67 A HN 0.414 nan 8.150 nan 0.000 0.444 68 T N -3.280 111.265 114.554 -0.014 0.000 3.069 68 T HA 0.603 4.938 4.350 -0.026 0.000 0.252 68 T C 0.743 175.421 174.700 -0.036 0.000 1.053 68 T CA 0.540 62.628 62.100 -0.020 0.000 0.964 68 T CB -0.400 68.471 68.868 0.006 0.000 1.005 68 T HN 0.666 nan 8.240 nan 0.000 0.532 69 A N 2.310 125.096 122.820 -0.055 0.000 2.429 69 A HA 0.560 4.864 4.320 -0.026 0.000 0.242 69 A C 0.926 178.454 177.584 -0.092 0.000 1.088 69 A CA -0.108 51.893 52.037 -0.059 0.000 0.784 69 A CB -0.080 18.888 19.000 -0.054 0.000 1.038 69 A HN 0.782 nan 8.150 nan 0.000 0.501 70 S N 0.184 115.843 115.700 -0.068 0.000 2.593 70 S HA 0.405 4.859 4.470 -0.026 0.000 0.269 70 S C 1.377 175.915 174.600 -0.104 0.000 1.334 70 S CA -0.188 57.969 58.200 -0.071 0.000 1.015 70 S CB 0.916 64.089 63.200 -0.045 0.000 0.912 70 S HN 1.402 nan 8.310 nan 0.000 0.541 71 G N 0.868 109.611 108.800 -0.094 0.000 2.440 71 G HA2 -0.088 3.856 3.960 -0.026 0.000 0.218 71 G HA3 -0.088 3.856 3.960 -0.026 0.000 0.218 71 G C 1.548 176.402 174.900 -0.076 0.000 1.154 71 G CA 0.753 45.793 45.100 -0.101 0.000 0.767 71 G HN 1.148 nan 8.290 nan 0.000 0.552 72 A N -0.051 122.739 122.820 -0.051 0.000 2.024 72 A HA 0.067 4.372 4.320 -0.026 0.000 0.220 72 A C 2.582 180.153 177.584 -0.021 0.000 1.164 72 A CA 1.814 53.833 52.037 -0.031 0.000 0.643 72 A CB -0.442 18.542 19.000 -0.027 0.000 0.806 72 A HN 0.279 nan 8.150 nan 0.000 0.451 73 V N -0.310 119.589 119.914 -0.025 0.000 2.323 73 V HA -0.230 3.875 4.120 -0.026 0.000 0.244 73 V C 2.603 178.756 176.094 0.098 0.000 1.041 73 V CA 2.146 64.458 62.300 0.020 0.000 1.025 73 V CB -0.721 31.124 31.823 0.037 0.000 0.656 73 V HN 0.540 nan 8.190 nan 0.000 0.451 74 R N 0.105 120.575 120.500 -0.049 0.000 2.096 74 R HA -0.114 4.210 4.340 -0.026 0.000 0.235 74 R C 2.419 178.801 176.300 0.136 0.000 1.127 74 R CA 1.370 57.411 56.100 -0.099 0.000 0.968 74 R CB -0.600 29.371 30.300 -0.549 0.000 0.861 74 R HN 0.535 nan 8.270 nan 0.000 0.440 75 A N 1.270 124.127 122.820 0.061 0.000 1.940 75 A HA -0.199 4.105 4.320 -0.026 0.000 0.219 75 A C 2.068 179.711 177.584 0.097 0.000 1.176 75 A CA 1.305 53.392 52.037 0.084 0.000 0.631 75 A CB -0.380 18.639 19.000 0.032 0.000 0.814 75 A HN 0.229 nan 8.150 nan 0.000 0.446 76 R N -2.063 118.467 120.500 0.050 0.000 2.075 76 R HA -0.131 4.193 4.340 -0.026 0.000 0.232 76 R C 2.017 178.312 176.300 -0.008 0.000 1.126 76 R CA 1.688 57.772 56.100 -0.026 0.000 0.963 76 R CB -0.467 29.753 30.300 -0.132 0.000 0.858 76 R HN 0.672 nan 8.270 nan 0.000 0.435 77 Y N 0.968 121.340 120.300 0.120 0.000 2.181 77 Y HA -0.189 4.346 4.550 -0.026 0.000 0.288 77 Y C 2.223 178.183 175.900 0.100 0.000 1.146 77 Y CA 1.264 59.451 58.100 0.145 0.000 1.164 77 Y CB -0.315 38.330 38.460 0.309 0.000 0.982 77 Y HN -0.003 nan 8.280 nan 0.000 0.515 78 L N -0.777 120.628 121.223 0.303 0.000 2.156 78 L HA -0.165 4.160 4.340 -0.026 0.000 0.208 78 L C 2.393 179.355 176.870 0.153 0.000 1.095 78 L CA 1.101 56.088 54.840 0.246 0.000 0.770 78 L CB -0.456 41.822 42.059 0.365 0.000 0.914 78 L HN 0.138 nan 8.230 nan 0.000 0.439 79 R N 0.175 120.751 120.500 0.126 0.000 2.075 79 R HA -0.090 4.234 4.340 -0.026 0.000 0.232 79 R C 2.453 178.776 176.300 0.039 0.000 1.126 79 R CA 1.277 57.430 56.100 0.087 0.000 0.963 79 R CB -0.428 29.910 30.300 0.063 0.000 0.858 79 R HN 0.322 nan 8.270 nan 0.000 0.435 80 A N 1.164 123.996 122.820 0.019 0.000 1.930 80 A HA -0.106 4.198 4.320 -0.026 0.000 0.217 80 A C 2.120 179.678 177.584 -0.044 0.000 1.175 80 A CA 1.063 53.096 52.037 -0.007 0.000 0.627 80 A CB -0.384 18.611 19.000 -0.010 0.000 0.815 80 A HN 0.164 nan 8.150 nan 0.000 0.443 81 I N -0.284 120.224 120.570 -0.103 0.000 2.226 81 I HA -0.267 3.887 4.170 -0.026 0.000 0.245 81 I C 2.966 178.926 176.117 -0.262 0.000 1.100 81 I CA 0.986 62.118 61.300 -0.280 0.000 1.374 81 I CB -0.285 37.352 38.000 -0.604 0.000 1.057 81 I HN 0.355 nan 8.210 nan 0.000 0.413 82 A N 0.724 123.457 122.820 -0.145 0.000 1.902 82 A HA -0.196 4.109 4.320 -0.026 0.000 0.217 82 A C 2.526 180.136 177.584 0.043 0.000 1.181 82 A CA 1.966 54.025 52.037 0.037 0.000 0.623 82 A CB -0.879 18.221 19.000 0.166 0.000 0.818 82 A HN 0.434 nan 8.150 nan 0.000 0.443 83 A N -0.793 122.041 122.820 0.024 0.000 1.930 83 A HA -0.105 4.199 4.320 -0.026 0.000 0.217 83 A C 2.062 179.656 177.584 0.016 0.000 1.175 83 A CA 2.163 54.217 52.037 0.028 0.000 0.627 83 A CB -0.341 18.672 19.000 0.021 0.000 0.815 83 A HN 0.393 nan 8.150 nan 0.000 0.443 84 K N -0.468 119.927 120.400 -0.008 0.000 2.097 84 K HA -0.002 4.302 4.320 -0.026 0.000 0.205 84 K C 1.762 178.364 176.600 0.002 0.000 1.050 84 K CA 1.239 57.519 56.287 -0.011 0.000 0.938 84 K CB -0.461 32.016 32.500 -0.038 0.000 0.718 84 K HN 0.239 nan 8.250 nan 0.000 0.442 85 V N 0.327 120.245 119.914 0.006 0.000 2.307 85 V HA -0.250 3.854 4.120 -0.026 0.000 0.245 85 V C 1.860 177.993 176.094 0.064 0.000 1.045 85 V CA 2.271 64.598 62.300 0.046 0.000 1.024 85 V CB -0.632 31.245 31.823 0.090 0.000 0.651 85 V HN 0.395 nan 8.190 nan 0.000 0.449 86 T N -0.451 114.145 114.554 0.069 0.000 2.699 86 T HA -0.271 4.063 4.350 -0.026 0.000 0.268 86 T C 1.785 176.515 174.700 0.049 0.000 1.036 86 T CA 1.904 64.044 62.100 0.067 0.000 1.147 86 T CB -0.286 68.622 68.868 0.068 0.000 0.862 86 T HN 0.572 nan 8.240 nan 0.000 0.446 87 E N 0.763 120.986 120.200 0.037 0.000 2.077 87 E HA -0.091 4.244 4.350 -0.026 0.000 0.193 87 E C 1.724 178.342 176.600 0.030 0.000 0.989 87 E CA 0.913 57.331 56.400 0.029 0.000 0.800 87 E CB 0.001 29.714 29.700 0.022 0.000 0.746 87 E HN 0.438 nan 8.360 nan 0.000 0.452 88 K N 0.745 121.164 120.400 0.032 0.000 2.469 88 K HA 0.050 4.355 4.320 -0.026 0.000 0.201 88 K C 1.444 178.068 176.600 0.040 0.000 1.028 88 K CA -0.099 56.207 56.287 0.032 0.000 1.170 88 K CB 0.339 32.856 32.500 0.028 0.000 0.874 88 K HN -0.008 nan 8.250 nan 0.000 0.507 89 K N 2.139 122.567 120.400 0.048 0.000 2.020 89 K HA -0.164 4.140 4.320 -0.026 0.000 0.212 89 K C -1.055 175.575 176.600 0.051 0.000 1.050 89 K CA 1.634 57.956 56.287 0.058 0.000 0.929 89 K CB -0.604 31.934 32.500 0.064 0.000 0.714 89 K HN -0.052 nan 8.250 nan 0.000 0.443 90 P HA -0.202 nan 4.420 nan 0.000 0.216 90 P C 0.781 178.101 177.300 0.032 0.000 1.153 90 P CA 1.568 64.689 63.100 0.035 0.000 0.858 90 P CB -0.112 31.604 31.700 0.027 0.000 0.789 91 E N -0.068 120.150 120.200 0.029 0.000 2.072 91 E HA -0.100 4.235 4.350 -0.026 0.000 0.190 91 E C 2.231 178.849 176.600 0.029 0.000 0.982 91 E CA 0.996 57.410 56.400 0.024 0.000 0.803 91 E CB -1.408 28.303 29.700 0.019 0.000 0.755 91 E HN 0.280 nan 8.360 nan 0.000 0.453 92 L N 1.039 122.285 121.223 0.037 0.000 2.046 92 L HA -0.123 4.201 4.340 -0.026 0.000 0.208 92 L C 2.748 179.647 176.870 0.048 0.000 1.077 92 L CA 1.317 56.184 54.840 0.044 0.000 0.747 92 L CB -0.600 41.492 42.059 0.056 0.000 0.896 92 L HN 0.140 nan 8.230 nan 0.000 0.432 93 A N 0.004 122.858 122.820 0.056 0.000 1.902 93 A HA -0.227 4.077 4.320 -0.026 0.000 0.217 93 A C 2.314 179.925 177.584 0.045 0.000 1.181 93 A CA 1.736 53.810 52.037 0.061 0.000 0.623 93 A CB -0.338 18.707 19.000 0.074 0.000 0.818 93 A HN 0.329 nan 8.150 nan 0.000 0.443 94 K N -0.455 119.966 120.400 0.036 0.000 2.057 94 K HA 0.020 4.324 4.320 -0.026 0.000 0.206 94 K C 1.847 178.458 176.600 0.017 0.000 1.050 94 K CA 1.229 57.532 56.287 0.026 0.000 0.935 94 K CB -0.348 32.164 32.500 0.020 0.000 0.715 94 K HN 0.443 nan 8.250 nan 0.000 0.439 95 L N 0.792 122.026 121.223 0.017 0.000 2.083 95 L HA -0.203 4.121 4.340 -0.026 0.000 0.209 95 L C 2.446 179.322 176.870 0.011 0.000 1.083 95 L CA 1.089 55.936 54.840 0.011 0.000 0.752 95 L CB -0.253 41.814 42.059 0.012 0.000 0.899 95 L HN 0.209 nan 8.230 nan 0.000 0.433 96 E N -0.057 120.155 120.200 0.019 0.000 2.031 96 E HA -0.181 4.153 4.350 -0.026 0.000 0.193 96 E C 2.297 178.897 176.600 -0.000 0.000 0.994 96 E CA 1.628 58.037 56.400 0.015 0.000 0.800 96 E CB -0.017 29.699 29.700 0.026 0.000 0.752 96 E HN 0.192 nan 8.360 nan 0.000 0.447 97 S N -0.293 115.411 115.700 0.006 0.000 2.370 97 S HA -0.128 4.326 4.470 -0.026 0.000 0.226 97 S C 1.931 176.522 174.600 -0.015 0.000 1.033 97 S CA 1.184 59.382 58.200 -0.002 0.000 1.011 97 S CB -0.293 62.917 63.200 0.016 0.000 0.852 97 S HN 0.269 nan 8.310 nan 0.000 0.457 98 I N 1.079 121.642 120.570 -0.011 0.000 2.252 98 I HA -0.164 3.990 4.170 -0.026 0.000 0.245 98 I C 2.321 178.419 176.117 -0.033 0.000 1.102 98 I CA 1.215 62.503 61.300 -0.021 0.000 1.385 98 I CB -0.243 37.748 38.000 -0.015 0.000 1.064 98 I HN 0.205 nan 8.210 nan 0.000 0.414 99 D N 0.173 120.558 120.400 -0.024 0.000 2.137 99 D HA -0.129 4.496 4.640 -0.026 0.000 0.202 99 D C 2.100 178.375 176.300 -0.043 0.000 0.970 99 D CA 1.448 55.432 54.000 -0.026 0.000 0.837 99 D CB 0.164 40.960 40.800 -0.006 0.000 0.981 99 D HN 0.499 nan 8.370 nan 0.000 0.475 100 C N -2.780 116.495 119.300 -0.041 0.000 3.188 100 C HA 0.704 5.148 4.460 -0.026 0.000 0.315 100 C C 1.820 176.756 174.990 -0.090 0.000 1.285 100 C CA 0.638 59.624 59.018 -0.054 0.000 1.729 100 C CB 0.378 28.125 27.740 0.010 0.000 2.257 100 C HN 0.380 nan 8.230 nan 0.000 0.645 101 G N 1.819 110.570 108.800 -0.082 0.000 2.176 101 G HA2 -0.188 3.756 3.960 -0.026 0.000 0.232 101 G HA3 -0.188 3.756 3.960 -0.026 0.000 0.232 101 G C -0.053 174.797 174.900 -0.083 0.000 0.986 101 G CA 0.278 45.318 45.100 -0.099 0.000 0.643 101 G HN 1.025 nan 8.290 nan 0.000 0.522 102 K N 0.625 120.974 120.400 -0.085 0.000 2.270 102 K HA 0.562 4.867 4.320 -0.026 0.000 0.276 102 K C -2.518 174.073 176.600 -0.015 0.000 1.023 102 K CA -1.646 54.587 56.287 -0.091 0.000 0.955 102 K CB 0.880 33.280 32.500 -0.167 0.000 0.975 102 K HN 0.018 nan 8.250 nan 0.000 0.471 103 P HA -0.161 nan 4.420 nan 0.000 0.266 103 P C 0.483 177.834 177.300 0.084 0.000 1.180 103 P CA -0.084 63.061 63.100 0.075 0.000 0.765 103 P CB 0.332 32.102 31.700 0.117 0.000 0.806 104 L N 3.255 124.526 121.223 0.081 0.000 2.083 104 L HA -0.186 4.139 4.340 -0.026 0.000 0.209 104 L C 1.438 178.377 176.870 0.114 0.000 1.083 104 L CA 2.066 56.955 54.840 0.081 0.000 0.752 104 L CB -0.900 41.197 42.059 0.063 0.000 0.899 104 L HN 0.265 nan 8.230 nan 0.000 0.433 105 D N -0.504 119.976 120.400 0.132 0.000 2.218 105 D HA -0.164 4.460 4.640 -0.026 0.000 0.204 105 D C 2.046 178.509 176.300 0.273 0.000 0.976 105 D CA 1.035 55.135 54.000 0.167 0.000 0.853 105 D CB 0.093 40.986 40.800 0.155 0.000 0.939 105 D HN 0.552 nan 8.370 nan 0.000 0.481 106 E N 0.483 120.850 120.200 0.278 0.000 2.051 106 E HA -0.028 4.307 4.350 -0.026 0.000 0.189 106 E C 2.160 178.928 176.600 0.281 0.000 0.979 106 E CA 0.765 57.378 56.400 0.354 0.000 0.803 106 E CB -0.011 29.832 29.700 0.238 0.000 0.761 106 E HN 0.157 nan 8.360 nan 0.000 0.451 107 A N 1.671 124.591 122.820 0.167 0.000 1.908 107 A HA -0.209 4.096 4.320 -0.026 0.000 0.218 107 A C 2.401 180.089 177.584 0.173 0.000 1.181 107 A CA 1.922 54.037 52.037 0.131 0.000 0.627 107 A CB -0.765 18.282 19.000 0.079 0.000 0.818 107 A HN 0.304 nan 8.150 nan 0.000 0.445 108 A N -1.623 121.305 122.820 0.181 0.000 1.908 108 A HA -0.195 4.110 4.320 -0.026 0.000 0.218 108 A C 2.015 179.752 177.584 0.255 0.000 1.181 108 A CA 1.618 53.758 52.037 0.172 0.000 0.627 108 A CB -0.826 18.248 19.000 0.123 0.000 0.818 108 A HN 0.806 nan 8.150 nan 0.000 0.445 109 W N 1.391 122.759 121.300 0.112 0.000 2.335 109 W HA -0.146 4.499 4.660 -0.025 0.000 0.311 109 W C 1.420 178.016 176.519 0.128 0.000 1.213 109 W CA 1.840 59.261 57.345 0.126 0.000 1.274 109 W CB -0.867 28.695 29.460 0.170 0.000 1.148 109 W HN 0.442 nan 8.180 nan 0.000 0.498 110 D N -0.018 120.598 120.400 0.359 0.000 2.133 110 D HA -0.218 4.406 4.640 -0.026 0.000 0.195 110 D C 2.126 178.542 176.300 0.193 0.000 0.997 110 D CA 1.950 56.074 54.000 0.206 0.000 0.840 110 D CB -0.549 40.340 40.800 0.149 0.000 0.947 110 D HN 0.047 nan 8.370 nan 0.000 0.452 111 I N 1.076 121.763 120.570 0.193 0.000 2.315 111 I HA -0.165 3.990 4.170 -0.026 0.000 0.248 111 I C 1.658 177.888 176.117 0.189 0.000 1.117 111 I CA 1.064 62.465 61.300 0.168 0.000 1.404 111 I CB -0.978 37.103 38.000 0.135 0.000 1.071 111 I HN -0.030 nan 8.210 nan 0.000 0.419 112 D N 1.273 121.801 120.400 0.212 0.000 2.123 112 D HA -0.192 4.432 4.640 -0.026 0.000 0.196 112 D C 1.711 178.150 176.300 0.232 0.000 0.992 112 D CA 1.380 55.504 54.000 0.207 0.000 0.833 112 D CB -0.189 40.733 40.800 0.203 0.000 0.954 112 D HN 0.293 nan 8.370 nan 0.000 0.455 113 D N -0.238 120.319 120.400 0.263 0.000 2.183 113 D HA -0.065 4.559 4.640 -0.026 0.000 0.203 113 D C 2.273 178.700 176.300 0.213 0.000 0.969 113 D CA 0.139 54.277 54.000 0.229 0.000 0.842 113 D CB -0.102 40.817 40.800 0.198 0.000 0.957 113 D HN 0.047 nan 8.370 nan 0.000 0.484 114 V N 1.438 121.476 119.914 0.206 0.000 2.255 114 V HA -0.283 3.821 4.120 -0.026 0.000 0.247 114 V C 2.541 178.848 176.094 0.355 0.000 1.051 114 V CA 2.009 64.449 62.300 0.232 0.000 1.018 114 V CB -0.872 31.097 31.823 0.242 0.000 0.641 114 V HN 0.206 nan 8.190 nan 0.000 0.445 115 A N 0.419 123.433 122.820 0.324 0.000 1.883 115 A HA -0.129 4.176 4.320 -0.026 0.000 0.217 115 A C 2.435 180.202 177.584 0.305 0.000 1.186 115 A CA 2.070 54.301 52.037 0.324 0.000 0.624 115 A CB -1.354 17.774 19.000 0.214 0.000 0.822 115 A HN 0.560 nan 8.150 nan 0.000 0.444 116 G N -1.247 107.700 108.800 0.246 0.000 2.442 116 G HA2 -0.313 3.631 3.960 -0.026 0.000 0.219 116 G HA3 -0.313 3.631 3.960 -0.026 0.000 0.219 116 G C 1.748 176.788 174.900 0.233 0.000 1.141 116 G CA 1.302 46.534 45.100 0.220 0.000 0.763 116 G HN 0.597 nan 8.290 nan 0.000 0.554 117 C N -0.375 119.061 119.300 0.226 0.000 2.476 117 C HA 0.131 4.576 4.460 -0.026 0.000 0.278 117 C C 2.567 177.737 174.990 0.300 0.000 1.274 117 C CA 0.730 59.880 59.018 0.220 0.000 1.713 117 C CB -1.168 26.669 27.740 0.162 0.000 2.039 117 C HN 0.384 nan 8.230 nan 0.000 0.484 118 F N 1.440 121.569 119.950 0.298 0.000 2.126 118 F HA -0.120 4.392 4.527 -0.025 0.000 0.299 118 F C 2.402 178.342 175.800 0.233 0.000 1.096 118 F CA 2.351 60.511 58.000 0.265 0.000 1.255 118 F CB -0.768 38.346 39.000 0.191 0.000 0.997 118 F HN 0.333 nan 8.300 nan 0.000 0.479 119 E N -1.300 119.126 120.200 0.377 0.000 2.077 119 E HA -0.265 4.069 4.350 -0.026 0.000 0.193 119 E C 2.004 178.716 176.600 0.186 0.000 0.989 119 E CA 1.367 57.914 56.400 0.244 0.000 0.800 119 E CB -0.442 29.378 29.700 0.200 0.000 0.746 119 E HN 0.486 nan 8.360 nan 0.000 0.452 120 Y N 0.007 120.343 120.300 0.060 0.000 2.097 120 Y HA -0.323 4.210 4.550 -0.028 0.000 0.282 120 Y C 1.692 177.496 175.900 -0.160 0.000 1.152 120 Y CA 1.842 59.886 58.100 -0.094 0.000 1.136 120 Y CB -0.407 37.924 38.460 -0.215 0.000 0.975 120 Y HN 0.107 nan 8.280 nan 0.000 0.498 121 Y N -0.472 119.878 120.300 0.083 0.000 2.509 121 Y HA -0.050 4.484 4.550 -0.027 0.000 0.293 121 Y C 2.487 178.387 175.900 0.001 0.000 1.133 121 Y CA 0.562 58.659 58.100 -0.005 0.000 1.283 121 Y CB -0.512 38.013 38.460 0.108 0.000 1.001 121 Y HN 0.274 nan 8.280 nan 0.000 0.555 122 A N 0.036 122.956 122.820 0.166 0.000 1.898 122 A HA -0.229 4.076 4.320 -0.026 0.000 0.216 122 A C 1.831 179.424 177.584 0.016 0.000 1.181 122 A CA 1.986 54.094 52.037 0.119 0.000 0.620 122 A CB -0.735 18.351 19.000 0.143 0.000 0.819 122 A HN 0.421 nan 8.150 nan 0.000 0.442 123 D N -0.770 119.597 120.400 -0.055 0.000 2.144 123 D HA -0.116 4.508 4.640 -0.026 0.000 0.199 123 D C 1.645 177.853 176.300 -0.155 0.000 0.984 123 D CA 0.872 54.806 54.000 -0.109 0.000 0.834 123 D CB -0.122 40.592 40.800 -0.144 0.000 0.955 123 D HN 0.203 nan 8.370 nan 0.000 0.465 124 L N 0.323 121.406 121.223 -0.232 0.000 2.093 124 L HA 0.066 4.391 4.340 -0.026 0.000 0.208 124 L C 2.348 179.182 176.870 -0.059 0.000 1.085 124 L CA 1.467 56.200 54.840 -0.177 0.000 0.755 124 L CB -1.010 40.924 42.059 -0.209 0.000 0.904 124 L HN 0.086 nan 8.230 nan 0.000 0.435 125 A N -0.969 121.840 122.820 -0.017 0.000 1.902 125 A HA -0.230 4.074 4.320 -0.026 0.000 0.217 125 A C 2.255 179.816 177.584 -0.037 0.000 1.181 125 A CA 1.692 53.720 52.037 -0.016 0.000 0.623 125 A CB -0.488 18.512 19.000 0.001 0.000 0.818 125 A HN 0.468 nan 8.150 nan 0.000 0.443 126 E N -0.210 119.968 120.200 -0.037 0.000 2.110 126 E HA -0.164 4.170 4.350 -0.026 0.000 0.193 126 E C 1.873 178.447 176.600 -0.044 0.000 0.988 126 E CA 1.282 57.660 56.400 -0.038 0.000 0.804 126 E CB -0.076 29.604 29.700 -0.032 0.000 0.745 126 E HN 0.556 nan 8.360 nan 0.000 0.458 127 K N 0.228 120.596 120.400 -0.053 0.000 2.365 127 K HA -0.081 4.224 4.320 -0.026 0.000 0.199 127 K C 1.989 178.561 176.600 -0.047 0.000 1.045 127 K CA 0.229 56.484 56.287 -0.053 0.000 0.962 127 K CB 0.044 32.503 32.500 -0.068 0.000 0.759 127 K HN 0.068 nan 8.250 nan 0.000 0.469 128 L N 2.063 123.260 121.223 -0.044 0.000 2.083 128 L HA -0.172 4.152 4.340 -0.026 0.000 0.209 128 L C 1.494 178.341 176.870 -0.037 0.000 1.083 128 L CA 1.882 56.699 54.840 -0.038 0.000 0.752 128 L CB -0.360 41.678 42.059 -0.034 0.000 0.899 128 L HN 0.110 nan 8.230 nan 0.000 0.433 129 D N -0.051 120.324 120.400 -0.041 0.000 2.123 129 D HA -0.180 4.444 4.640 -0.026 0.000 0.196 129 D C 2.050 178.328 176.300 -0.037 0.000 0.992 129 D CA 1.575 55.551 54.000 -0.039 0.000 0.833 129 D CB -0.069 40.707 40.800 -0.039 0.000 0.954 129 D HN 0.505 nan 8.370 nan 0.000 0.455 130 A N 0.600 123.398 122.820 -0.036 0.000 2.119 130 A HA -0.079 4.225 4.320 -0.026 0.000 0.217 130 A C 2.075 179.637 177.584 -0.035 0.000 1.153 130 A CA 0.593 52.608 52.037 -0.036 0.000 0.692 130 A CB -0.232 18.747 19.000 -0.034 0.000 0.799 130 A HN 0.092 nan 8.150 nan 0.000 0.458 131 R N -0.485 119.994 120.500 -0.034 0.000 2.240 131 R HA 0.051 4.375 4.340 -0.026 0.000 0.203 131 R C 0.166 176.452 176.300 -0.024 0.000 1.011 131 R CA 0.102 56.184 56.100 -0.031 0.000 1.007 131 R CB 0.030 30.309 30.300 -0.033 0.000 0.911 131 R HN 0.503 nan 8.270 nan 0.000 0.468 132 Q N 1.271 121.056 119.800 -0.025 0.000 2.421 132 Q HA 0.004 4.329 4.340 -0.026 0.000 0.255 132 Q C -0.013 175.967 176.000 -0.035 0.000 1.013 132 Q CA 0.439 56.231 55.803 -0.019 0.000 0.895 132 Q CB 0.538 29.262 28.738 -0.023 0.000 1.271 132 Q HN 0.066 nan 8.270 nan 0.000 0.460 133 K N -0.911 119.477 120.400 -0.020 0.000 3.096 133 K HA -0.205 4.099 4.320 -0.026 0.000 0.266 133 K C -0.586 175.983 176.600 -0.052 0.000 1.043 133 K CA 0.526 56.747 56.287 -0.110 0.000 0.758 133 K CB -1.707 30.603 32.500 -0.317 0.000 1.260 133 K HN 0.723 nan 8.250 nan 0.000 0.481 134 A N 1.382 124.219 122.820 0.028 0.000 2.484 134 A HA 0.310 4.614 4.320 -0.026 0.000 0.268 134 A C -1.981 175.644 177.584 0.068 0.000 1.114 134 A CA -0.948 51.105 52.037 0.026 0.000 0.780 134 A CB -0.055 18.955 19.000 0.016 0.000 1.061 134 A HN -0.006 nan 8.150 nan 0.000 0.505 135 P HA 0.230 nan 4.420 nan 0.000 0.268 135 P C -0.642 176.691 177.300 0.055 0.000 1.204 135 P CA 0.004 63.147 63.100 0.071 0.000 0.768 135 P CB 0.825 32.547 31.700 0.036 0.000 0.842 136 V N 3.135 123.086 119.914 0.062 0.000 2.398 136 V HA 0.237 4.341 4.120 -0.026 0.000 0.286 136 V C 0.614 176.729 176.094 0.035 0.000 1.026 136 V CA -0.359 61.961 62.300 0.034 0.000 0.868 136 V CB 1.473 33.307 31.823 0.019 0.000 0.982 136 V HN 0.501 nan 8.190 nan 0.000 0.443 137 S N 4.961 120.675 115.700 0.025 0.000 2.505 137 S HA 0.556 5.010 4.470 -0.026 0.000 0.276 137 S C -0.562 174.054 174.600 0.027 0.000 1.274 137 S CA -0.384 57.833 58.200 0.027 0.000 1.053 137 S CB 0.112 63.324 63.200 0.020 0.000 0.919 137 S HN 0.424 nan 8.310 nan 0.000 0.490 138 L N 6.786 128.033 121.223 0.040 0.000 2.334 138 L HA 0.554 4.878 4.340 -0.026 0.000 0.276 138 L C -1.511 175.390 176.870 0.053 0.000 1.014 138 L CA -1.749 53.118 54.840 0.045 0.000 0.815 138 L CB 1.282 43.386 42.059 0.074 0.000 1.268 138 L HN 0.482 nan 8.230 nan 0.000 0.428 139 P HA 0.200 nan 4.420 nan 0.000 0.253 139 P C -0.789 176.557 177.300 0.077 0.000 1.508 139 P CA 0.297 63.427 63.100 0.049 0.000 0.883 139 P CB 0.139 31.859 31.700 0.033 0.000 1.519 140 M N 0.299 119.965 119.600 0.110 0.000 2.365 140 M HA 0.126 4.590 4.480 -0.026 0.000 0.287 140 M C -0.414 175.979 176.300 0.156 0.000 1.154 140 M CA -0.509 54.886 55.300 0.157 0.000 0.941 140 M CB 2.661 35.417 32.600 0.260 0.000 1.704 140 M HN -0.270 nan 8.290 nan 0.000 0.479 141 D N -1.197 119.271 120.400 0.113 0.000 2.340 141 D HA -0.044 4.581 4.640 -0.026 0.000 0.220 141 D C 1.272 177.594 176.300 0.037 0.000 1.039 141 D CA 0.520 54.562 54.000 0.070 0.000 0.866 141 D CB 0.004 40.826 40.800 0.038 0.000 0.913 141 D HN 0.686 nan 8.370 nan 0.000 0.523 142 T N -3.344 111.253 114.554 0.071 0.000 3.065 142 T HA 0.192 4.526 4.350 -0.026 0.000 0.252 142 T C 0.138 174.657 174.700 -0.302 0.000 1.099 142 T CA -0.174 61.862 62.100 -0.107 0.000 1.063 142 T CB -0.338 68.512 68.868 -0.030 0.000 0.948 142 T HN 0.019 nan 8.240 nan 0.000 0.506 143 F N 0.572 120.564 119.950 0.071 0.000 2.561 143 F HA 0.791 5.306 4.527 -0.021 0.000 0.321 143 F C 0.083 175.905 175.800 0.037 0.000 1.065 143 F CA -1.406 56.638 58.000 0.072 0.000 0.934 143 F CB 2.009 41.067 39.000 0.096 0.000 1.215 143 F HN -0.303 nan 8.300 nan 0.000 0.471 144 K N 0.587 121.118 120.400 0.218 0.000 2.328 144 K HA 0.761 5.065 4.320 -0.026 0.000 0.246 144 K C -1.150 175.530 176.600 0.133 0.000 0.955 144 K CA -0.813 55.562 56.287 0.147 0.000 0.817 144 K CB 2.146 34.710 32.500 0.106 0.000 1.208 144 K HN 0.505 nan 8.250 nan 0.000 0.432 145 S N 0.848 116.605 115.700 0.095 0.000 2.536 145 S HA 0.667 5.121 4.470 -0.026 0.000 0.271 145 S C -1.795 172.845 174.600 0.066 0.000 1.134 145 S CA -0.697 57.516 58.200 0.021 0.000 0.897 145 S CB 0.322 63.519 63.200 -0.006 0.000 1.094 145 S HN 0.779 nan 8.310 nan 0.000 0.473 146 H N -0.404 118.674 119.070 0.014 0.000 2.943 146 H HA 0.835 5.377 4.556 -0.024 0.000 0.323 146 H C -1.505 173.821 175.328 -0.002 0.000 1.296 146 H CA -1.115 54.935 56.048 0.004 0.000 1.155 146 H CB 0.771 30.535 29.762 0.004 0.000 1.882 146 H HN 0.385 nan 8.280 nan 0.000 0.553 147 V N 1.790 121.813 119.914 0.181 0.000 2.495 147 V HA 0.325 4.430 4.120 -0.026 0.000 0.298 147 V C -0.378 175.806 176.094 0.150 0.000 1.031 147 V CA -0.705 61.651 62.300 0.094 0.000 0.871 147 V CB 1.309 33.158 31.823 0.043 0.000 0.988 147 V HN 0.547 nan 8.190 nan 0.000 0.432 148 L N 5.175 126.460 121.223 0.104 0.000 2.322 148 L HA 0.655 4.980 4.340 -0.026 0.000 0.279 148 L C 0.041 176.934 176.870 0.038 0.000 1.036 148 L CA -0.715 54.174 54.840 0.081 0.000 0.807 148 L CB 1.593 43.702 42.059 0.083 0.000 1.226 148 L HN 0.511 nan 8.230 nan 0.000 0.433 149 R N 2.113 122.629 120.500 0.026 0.000 2.275 149 R HA 0.385 4.710 4.340 -0.026 0.000 0.326 149 R C -0.954 175.356 176.300 0.017 0.000 0.973 149 R CA -0.415 55.695 56.100 0.017 0.000 0.854 149 R CB 1.472 31.777 30.300 0.008 0.000 1.156 149 R HN 0.588 nan 8.270 nan 0.000 0.487 150 E N 3.196 123.410 120.200 0.023 0.000 2.222 150 E HA 0.335 4.669 4.350 -0.026 0.000 0.267 150 E C -2.448 174.175 176.600 0.038 0.000 0.963 150 E CA -2.472 53.942 56.400 0.024 0.000 0.837 150 E CB 1.435 31.150 29.700 0.026 0.000 1.183 150 E HN 0.187 nan 8.360 nan 0.000 0.403 151 P HA -0.021 nan 4.420 nan 0.000 0.264 151 P C 0.317 177.667 177.300 0.083 0.000 1.193 151 P CA 0.376 63.520 63.100 0.073 0.000 0.763 151 P CB 0.449 32.195 31.700 0.075 0.000 0.810 152 I N 1.717 122.354 120.570 0.111 0.000 2.423 152 I HA -0.154 4.000 4.170 -0.026 0.000 0.254 152 I C 1.234 177.407 176.117 0.093 0.000 1.151 152 I CA 2.136 63.495 61.300 0.099 0.000 1.421 152 I CB -0.446 37.621 38.000 0.112 0.000 1.079 152 I HN 0.725 nan 8.210 nan 0.000 0.431 153 G N -0.796 108.068 108.800 0.105 0.000 2.390 153 G HA2 -0.168 3.777 3.960 -0.026 0.000 0.202 153 G HA3 -0.168 3.777 3.960 -0.026 0.000 0.202 153 G C -0.601 174.348 174.900 0.083 0.000 1.210 153 G CA -0.227 44.924 45.100 0.085 0.000 1.271 153 G HN -0.032 nan 8.290 nan 0.000 0.543 154 V N 2.102 122.049 119.914 0.055 0.000 2.408 154 V HA 0.518 4.622 4.120 -0.026 0.000 0.267 154 V C 0.803 176.928 176.094 0.052 0.000 1.047 154 V CA 0.185 62.502 62.300 0.029 0.000 0.937 154 V CB 0.599 32.412 31.823 -0.018 0.000 0.999 154 V HN 1.445 nan 8.190 nan 0.000 0.472 155 V N 2.632 122.585 119.914 0.065 0.000 2.555 155 V HA 0.973 5.078 4.120 -0.026 0.000 0.302 155 V C 0.379 176.519 176.094 0.077 0.000 1.038 155 V CA -0.523 61.843 62.300 0.110 0.000 0.887 155 V CB 1.529 33.477 31.823 0.209 0.000 0.991 155 V HN 0.794 nan 8.190 nan 0.000 0.434 156 G N 4.388 113.244 108.800 0.093 0.000 2.343 156 G HA2 0.636 4.580 3.960 -0.026 0.000 0.319 156 G HA3 0.636 4.580 3.960 -0.026 0.000 0.319 156 G C -1.209 173.764 174.900 0.122 0.000 1.126 156 G CA -0.553 44.598 45.100 0.084 0.000 0.889 156 G HN 0.565 nan 8.290 nan 0.000 0.457 157 L N 3.047 124.334 121.223 0.106 0.000 2.343 157 L HA 0.526 4.851 4.340 -0.026 0.000 0.278 157 L C -0.137 176.797 176.870 0.107 0.000 0.996 157 L CA -0.993 53.917 54.840 0.117 0.000 0.831 157 L CB 1.371 43.478 42.059 0.081 0.000 1.232 157 L HN 0.414 nan 8.230 nan 0.000 0.413 158 I N 3.029 123.682 120.570 0.137 0.000 2.410 158 I HA 0.526 4.680 4.170 -0.026 0.000 0.286 158 I C 0.071 176.195 176.117 0.012 0.000 1.009 158 I CA -0.298 61.092 61.300 0.151 0.000 1.111 158 I CB 2.025 40.216 38.000 0.318 0.000 1.262 158 I HN 0.647 nan 8.210 nan 0.000 0.443 159 T N 3.766 118.300 114.554 -0.033 0.000 2.916 159 T HA 0.723 5.058 4.350 -0.026 0.000 0.292 159 T C -2.854 171.758 174.700 -0.145 0.000 1.064 159 T CA -2.028 59.987 62.100 -0.143 0.000 1.011 159 T CB 2.477 71.286 68.868 -0.097 0.000 1.152 159 T HN 0.229 nan 8.240 nan 0.000 0.510 160 P HA 0.361 nan 4.420 nan 0.000 0.289 160 P C 0.505 177.677 177.300 -0.214 0.000 1.300 160 P CA -0.900 62.017 63.100 -0.305 0.000 0.828 160 P CB 1.185 32.588 31.700 -0.495 0.000 1.235 161 W N 0.683 121.953 121.300 -0.049 0.000 3.114 161 W HA 0.042 4.688 4.660 -0.024 0.000 0.279 161 W C 0.856 177.300 176.519 -0.125 0.000 1.277 161 W CA 0.207 57.513 57.345 -0.066 0.000 1.630 161 W CB -1.515 27.916 29.460 -0.048 0.000 1.087 161 W HN 0.217 nan 8.180 nan 0.000 0.637 162 N N 1.799 120.262 118.700 -0.395 0.000 2.309 162 N HA -0.222 4.502 4.740 -0.026 0.000 0.182 162 N C -0.307 174.786 175.510 -0.695 0.000 1.018 162 N CA 1.006 53.778 53.050 -0.463 0.000 0.876 162 N CB -1.205 36.825 38.487 -0.761 0.000 0.972 162 N HN 0.268 nan 8.380 nan 0.000 0.434 163 Y N -0.653 119.474 120.300 -0.287 0.000 2.592 163 Y HA 0.416 4.951 4.550 -0.025 0.000 0.354 163 Y C -1.884 173.876 175.900 -0.233 0.000 1.063 163 Y CA -2.070 55.856 58.100 -0.291 0.000 1.205 163 Y CB 1.888 40.079 38.460 -0.448 0.000 1.106 163 Y HN -0.091 nan 8.280 nan 0.000 0.649 164 P HA -0.263 nan 4.420 nan 0.000 0.210 164 P C 1.920 179.208 177.300 -0.021 0.000 1.185 164 P CA 1.741 64.838 63.100 -0.005 0.000 0.924 164 P CB 0.358 32.076 31.700 0.029 0.000 0.786 165 M N -1.764 117.836 119.600 0.000 0.000 2.132 165 M HA -0.118 4.346 4.480 -0.026 0.000 0.263 165 M C 1.945 178.230 176.300 -0.026 0.000 1.065 165 M CA 1.516 56.828 55.300 0.019 0.000 1.122 165 M CB -0.619 32.017 32.600 0.061 0.000 1.365 165 M HN -0.138 nan 8.290 nan 0.000 0.411 166 L N 0.421 121.592 121.223 -0.087 0.000 2.046 166 L HA -0.199 4.125 4.340 -0.026 0.000 0.208 166 L C 2.169 178.742 176.870 -0.495 0.000 1.077 166 L CA 1.760 56.461 54.840 -0.231 0.000 0.747 166 L CB -0.518 41.374 42.059 -0.278 0.000 0.896 166 L HN 0.320 nan 8.230 nan 0.000 0.432 167 M N -0.994 118.321 119.600 -0.475 0.000 2.132 167 M HA -0.103 4.361 4.480 -0.026 0.000 0.263 167 M C 2.416 178.590 176.300 -0.211 0.000 1.065 167 M CA 1.682 56.679 55.300 -0.505 0.000 1.122 167 M CB -1.585 30.790 32.600 -0.375 0.000 1.365 167 M HN 0.396 nan 8.290 nan 0.000 0.411 168 A N -0.155 122.593 122.820 -0.121 0.000 1.908 168 A HA -0.156 4.148 4.320 -0.026 0.000 0.218 168 A C 2.337 179.908 177.584 -0.022 0.000 1.181 168 A CA 2.369 54.384 52.037 -0.036 0.000 0.627 168 A CB -1.148 17.854 19.000 0.002 0.000 0.818 168 A HN 0.479 nan 8.150 nan 0.000 0.445 169 T N -1.507 113.019 114.554 -0.048 0.000 2.708 169 T HA -0.182 4.152 4.350 -0.026 0.000 0.266 169 T C 1.492 176.162 174.700 -0.051 0.000 1.037 169 T CA 1.387 63.402 62.100 -0.142 0.000 1.146 169 T CB -0.386 68.378 68.868 -0.173 0.000 0.865 169 T HN 0.658 nan 8.240 nan 0.000 0.435 170 W N 2.042 123.231 121.300 -0.184 0.000 2.296 170 W HA -0.100 4.544 4.660 -0.026 0.000 0.296 170 W C 2.242 178.686 176.519 -0.124 0.000 1.220 170 W CA 0.791 58.058 57.345 -0.130 0.000 1.223 170 W CB -0.513 28.869 29.460 -0.131 0.000 1.139 170 W HN 0.342 nan 8.180 nan 0.000 0.534 171 K N -1.253 119.218 120.400 0.119 0.000 2.168 171 K HA 0.003 4.307 4.320 -0.026 0.000 0.201 171 K C 1.931 178.426 176.600 -0.175 0.000 1.049 171 K CA 0.905 57.225 56.287 0.055 0.000 0.974 171 K CB -0.541 32.027 32.500 0.114 0.000 0.792 171 K HN -0.153 nan 8.250 nan 0.000 0.463 172 V N 1.740 121.575 119.914 -0.132 0.000 2.295 172 V HA -0.251 3.853 4.120 -0.026 0.000 0.246 172 V C 2.316 178.322 176.094 -0.146 0.000 1.049 172 V CA 2.163 64.392 62.300 -0.118 0.000 1.024 172 V CB -0.602 31.239 31.823 0.030 0.000 0.648 172 V HN 0.346 nan 8.190 nan 0.000 0.447 173 A N 1.034 123.693 122.820 -0.268 0.000 1.858 173 A HA -0.109 4.196 4.320 -0.026 0.000 0.216 173 A C 0.761 178.172 177.584 -0.288 0.000 1.190 173 A CA 2.114 54.020 52.037 -0.219 0.000 0.617 173 A CB -1.926 16.862 19.000 -0.354 0.000 0.827 173 A HN 0.578 nan 8.150 nan 0.000 0.443 174 P HA -0.090 nan 4.420 nan 0.000 0.217 174 P C 1.613 178.732 177.300 -0.301 0.000 1.151 174 P CA 1.873 64.584 63.100 -0.648 0.000 0.828 174 P CB -0.183 31.075 31.700 -0.737 0.000 0.788 175 A N 0.513 122.954 122.820 -0.632 0.000 1.908 175 A HA -0.145 4.159 4.320 -0.026 0.000 0.218 175 A C 2.449 179.946 177.584 -0.146 0.000 1.181 175 A CA 1.489 53.086 52.037 -0.733 0.000 0.627 175 A CB -1.598 16.747 19.000 -1.092 0.000 0.818 175 A HN 0.118 nan 8.150 nan 0.000 0.445 176 L N -1.080 120.144 121.223 0.002 0.000 2.109 176 L HA -0.136 4.189 4.340 -0.026 0.000 0.207 176 L C 3.073 180.091 176.870 0.247 0.000 1.086 176 L CA 0.971 56.013 54.840 0.337 0.000 0.760 176 L CB -0.672 41.646 42.059 0.432 0.000 0.910 176 L HN 0.451 nan 8.230 nan 0.000 0.437 177 A N 0.249 123.138 122.820 0.115 0.000 1.972 177 A HA -0.119 4.186 4.320 -0.026 0.000 0.219 177 A C 2.393 179.970 177.584 -0.013 0.000 1.169 177 A CA 1.658 53.730 52.037 0.059 0.000 0.635 177 A CB -0.469 18.611 19.000 0.133 0.000 0.810 177 A HN 0.401 nan 8.150 nan 0.000 0.446 178 A N -2.079 120.753 122.820 0.019 0.000 2.169 178 A HA 0.408 4.712 4.320 -0.026 0.000 0.212 178 A C 1.744 179.318 177.584 -0.016 0.000 1.153 178 A CA 1.273 53.327 52.037 0.029 0.000 0.756 178 A CB -0.687 18.384 19.000 0.118 0.000 0.813 178 A HN 1.877 nan 8.150 nan 0.000 0.471 179 G N -2.106 106.664 108.800 -0.050 0.000 2.134 179 G HA2 -0.212 3.732 3.960 -0.026 0.000 0.209 179 G HA3 -0.212 3.732 3.960 -0.026 0.000 0.209 179 G C 0.208 175.228 174.900 0.199 0.000 0.993 179 G CA -0.082 44.940 45.100 -0.129 0.000 0.669 179 G HN 0.541 nan 8.290 nan 0.000 0.519 180 C N 0.339 119.795 119.300 0.259 0.000 2.470 180 C HA 0.871 5.316 4.460 -0.026 0.000 0.350 180 C C 1.102 176.236 174.990 0.239 0.000 1.341 180 C CA 0.452 59.597 59.018 0.212 0.000 2.440 180 C CB 1.098 28.908 27.740 0.117 0.000 2.295 180 C HN 1.354 nan 8.230 nan 0.000 0.645 181 A N 0.505 123.381 122.820 0.093 0.000 2.343 181 A HA 0.792 5.096 4.320 -0.026 0.000 0.316 181 A C -0.578 176.989 177.584 -0.029 0.000 1.104 181 A CA -0.216 51.809 52.037 -0.020 0.000 0.768 181 A CB 0.806 19.775 19.000 -0.051 0.000 1.213 181 A HN 1.290 nan 8.150 nan 0.000 0.456 182 A N 1.975 124.759 122.820 -0.059 0.000 2.350 182 A HA 0.783 5.088 4.320 -0.026 0.000 0.324 182 A C -0.887 176.680 177.584 -0.029 0.000 1.118 182 A CA -0.422 51.593 52.037 -0.036 0.000 0.783 182 A CB 0.549 19.520 19.000 -0.049 0.000 1.236 182 A HN 0.719 nan 8.150 nan 0.000 0.457 183 I N 2.199 122.765 120.570 -0.007 0.000 2.354 183 I HA 0.304 4.458 4.170 -0.026 0.000 0.286 183 I C -0.496 175.641 176.117 0.033 0.000 1.007 183 I CA -0.220 61.084 61.300 0.007 0.000 1.167 183 I CB 1.534 39.532 38.000 -0.003 0.000 1.320 183 I HN 0.576 nan 8.210 nan 0.000 0.458 184 L N 7.520 128.768 121.223 0.041 0.000 2.275 184 L HA 0.534 4.858 4.340 -0.026 0.000 0.288 184 L C -0.367 176.541 176.870 0.064 0.000 1.046 184 L CA 0.036 54.907 54.840 0.052 0.000 0.805 184 L CB 0.474 42.562 42.059 0.048 0.000 1.193 184 L HN 0.344 nan 8.230 nan 0.000 0.426 185 K N 6.910 127.352 120.400 0.070 0.000 2.530 185 K HA 0.522 4.826 4.320 -0.026 0.000 0.230 185 K C -2.756 173.889 176.600 0.075 0.000 1.002 185 K CA -2.213 54.121 56.287 0.078 0.000 1.014 185 K CB 1.106 33.658 32.500 0.087 0.000 1.286 185 K HN 0.357 nan 8.250 nan 0.000 0.480 186 P HA 0.105 nan 4.420 nan 0.000 0.276 186 P C -0.366 176.983 177.300 0.081 0.000 1.261 186 P CA -0.455 62.683 63.100 0.063 0.000 0.800 186 P CB 0.662 32.401 31.700 0.064 0.000 1.066 187 S N 0.758 116.515 115.700 0.095 0.000 2.549 187 S HA -0.017 4.438 4.470 -0.026 0.000 0.286 187 S C 1.462 176.134 174.600 0.120 0.000 1.314 187 S CA -0.336 57.950 58.200 0.145 0.000 1.062 187 S CB -0.101 63.253 63.200 0.256 0.000 0.865 187 S HN 0.502 nan 8.310 nan 0.000 0.498 188 E N 5.141 125.403 120.200 0.103 0.000 2.268 188 E HA -0.139 4.196 4.350 -0.026 0.000 0.195 188 E C 1.475 178.095 176.600 0.034 0.000 0.995 188 E CA 0.984 57.422 56.400 0.063 0.000 0.836 188 E CB -0.321 29.409 29.700 0.050 0.000 0.763 188 E HN 0.784 nan 8.360 nan 0.000 0.491 189 L N 0.271 121.515 121.223 0.036 0.000 2.478 189 L HA 0.177 4.501 4.340 -0.026 0.000 0.223 189 L C 1.017 177.875 176.870 -0.021 0.000 1.140 189 L CA 0.656 55.459 54.840 -0.062 0.000 0.842 189 L CB -0.008 41.891 42.059 -0.266 0.000 0.953 189 L HN 0.103 nan 8.230 nan 0.000 0.452 190 A N -1.255 121.604 122.820 0.065 0.000 2.686 190 A HA 0.486 4.791 4.320 -0.026 0.000 0.299 190 A C 0.206 177.832 177.584 0.070 0.000 1.151 190 A CA -0.366 51.710 52.037 0.065 0.000 0.851 190 A CB 0.679 19.741 19.000 0.103 0.000 1.448 190 A HN -0.020 nan 8.150 nan 0.000 0.404 191 S N 1.057 116.788 115.700 0.051 0.000 2.578 191 S HA 0.149 4.603 4.470 -0.026 0.000 0.228 191 S C 1.676 176.307 174.600 0.051 0.000 1.022 191 S CA 0.018 58.252 58.200 0.057 0.000 0.967 191 S CB -0.130 63.107 63.200 0.061 0.000 0.914 191 S HN 0.637 nan 8.310 nan 0.000 0.515 192 L N 1.944 123.188 121.223 0.035 0.000 1.971 192 L HA -0.191 4.133 4.340 -0.026 0.000 0.215 192 L C 2.952 179.844 176.870 0.036 0.000 1.072 192 L CA 1.954 56.810 54.840 0.026 0.000 0.758 192 L CB -1.416 40.650 42.059 0.011 0.000 0.889 192 L HN 0.459 nan 8.230 nan 0.000 0.433 193 T N -3.895 110.682 114.554 0.038 0.000 2.915 193 T HA -0.154 4.181 4.350 -0.026 0.000 0.269 193 T C 1.912 176.644 174.700 0.054 0.000 1.071 193 T CA 1.141 63.268 62.100 0.045 0.000 1.132 193 T CB -0.861 68.035 68.868 0.046 0.000 0.878 193 T HN 0.333 nan 8.240 nan 0.000 0.479 194 C N 0.861 120.196 119.300 0.057 0.000 2.466 194 C HA 0.241 4.686 4.460 -0.026 0.000 0.278 194 C C 2.776 177.809 174.990 0.071 0.000 1.288 194 C CA 0.046 59.100 59.018 0.061 0.000 1.722 194 C CB -1.464 26.312 27.740 0.061 0.000 2.017 194 C HN 0.544 nan 8.230 nan 0.000 0.488 195 L N 0.751 122.035 121.223 0.102 0.000 2.079 195 L HA -0.169 4.155 4.340 -0.026 0.000 0.210 195 L C 2.647 179.641 176.870 0.205 0.000 1.081 195 L CA 1.350 56.300 54.840 0.183 0.000 0.752 195 L CB -0.649 41.502 42.059 0.154 0.000 0.896 195 L HN 0.334 nan 8.230 nan 0.000 0.433 196 E N -0.185 120.078 120.200 0.106 0.000 2.268 196 E HA -0.184 4.150 4.350 -0.026 0.000 0.195 196 E C 2.072 178.688 176.600 0.028 0.000 0.995 196 E CA 0.698 57.147 56.400 0.082 0.000 0.836 196 E CB -0.235 29.493 29.700 0.047 0.000 0.763 196 E HN 0.290 nan 8.360 nan 0.000 0.491 197 L N 0.796 122.017 121.223 -0.003 0.000 2.131 197 L HA -0.059 4.265 4.340 -0.026 0.000 0.210 197 L C 2.063 178.771 176.870 -0.270 0.000 1.092 197 L CA 2.014 56.808 54.840 -0.076 0.000 0.759 197 L CB -0.916 41.135 42.059 -0.015 0.000 0.903 197 L HN 0.123 nan 8.230 nan 0.000 0.435 198 G N -1.062 107.507 108.800 -0.385 0.000 2.459 198 G HA2 -0.376 3.569 3.960 -0.026 0.000 0.217 198 G HA3 -0.376 3.569 3.960 -0.026 0.000 0.217 198 G C 1.467 175.773 174.900 -0.991 0.000 1.183 198 G CA 0.927 45.308 45.100 -1.199 0.000 0.776 198 G HN 0.447 nan 8.290 nan 0.000 0.552 199 E N 0.720 120.818 120.200 -0.169 0.000 2.085 199 E HA -0.117 4.217 4.350 -0.026 0.000 0.194 199 E C 2.426 178.985 176.600 -0.069 0.000 0.994 199 E CA 1.016 57.463 56.400 0.077 0.000 0.801 199 E CB -0.448 29.392 29.700 0.234 0.000 0.743 199 E HN 0.539 nan 8.360 nan 0.000 0.453 200 I N -0.305 120.197 120.570 -0.114 0.000 2.286 200 I HA -0.334 3.821 4.170 -0.026 0.000 0.248 200 I C 2.346 178.380 176.117 -0.140 0.000 1.115 200 I CA 0.780 62.017 61.300 -0.106 0.000 1.392 200 I CB -0.238 37.698 38.000 -0.107 0.000 1.065 200 I HN 0.257 nan 8.210 nan 0.000 0.418 201 C N 0.619 119.769 119.300 -0.250 0.000 2.432 201 C HA -0.169 4.275 4.460 -0.026 0.000 0.277 201 C C 2.771 177.717 174.990 -0.073 0.000 1.249 201 C CA 0.809 59.709 59.018 -0.197 0.000 1.725 201 C CB -0.904 26.657 27.740 -0.299 0.000 2.028 201 C HN 0.421 nan 8.230 nan 0.000 0.477 202 K N 0.606 120.958 120.400 -0.081 0.000 2.020 202 K HA -0.213 4.092 4.320 -0.026 0.000 0.212 202 K C 1.904 178.525 176.600 0.035 0.000 1.050 202 K CA 1.800 58.108 56.287 0.035 0.000 0.929 202 K CB -0.256 32.282 32.500 0.063 0.000 0.714 202 K HN 0.609 nan 8.250 nan 0.000 0.443 203 E N -0.043 120.167 120.200 0.018 0.000 2.204 203 E HA -0.119 4.215 4.350 -0.026 0.000 0.194 203 E C 1.733 178.351 176.600 0.030 0.000 0.989 203 E CA 0.698 57.115 56.400 0.027 0.000 0.824 203 E CB 0.232 29.944 29.700 0.019 0.000 0.756 203 E HN 0.057 nan 8.360 nan 0.000 0.477 204 V N -0.083 119.849 119.914 0.031 0.000 3.235 204 V HA 0.028 4.132 4.120 -0.026 0.000 0.259 204 V C 1.377 177.559 176.094 0.147 0.000 1.133 204 V CA 1.034 63.377 62.300 0.071 0.000 1.128 204 V CB 0.078 31.943 31.823 0.071 0.000 0.757 204 V HN 0.500 nan 8.190 nan 0.000 0.469 205 G N 0.782 109.653 108.800 0.119 0.000 2.160 205 G HA2 -0.256 3.688 3.960 -0.026 0.000 0.244 205 G HA3 -0.256 3.688 3.960 -0.026 0.000 0.244 205 G C -0.015 174.994 174.900 0.181 0.000 1.022 205 G CA 0.353 45.540 45.100 0.145 0.000 0.741 205 G HN 0.443 nan 8.290 nan 0.000 0.508 206 L N 1.278 122.540 121.223 0.066 0.000 2.540 206 L HA 0.442 4.767 4.340 -0.026 0.000 0.276 206 L C -1.304 175.391 176.870 -0.292 0.000 1.212 206 L CA -0.883 53.809 54.840 -0.246 0.000 0.893 206 L CB 0.144 42.040 42.059 -0.272 0.000 1.138 206 L HN 0.020 nan 8.230 nan 0.000 0.491 207 P HA 0.026 nan 4.420 nan 0.000 0.263 207 P C -2.518 174.607 177.300 -0.291 0.000 1.175 207 P CA -0.602 62.327 63.100 -0.286 0.000 0.761 207 P CB -0.282 31.245 31.700 -0.289 0.000 0.794 208 P HA 0.025 nan 4.420 nan 0.000 0.267 208 P C 0.890 178.050 177.300 -0.233 0.000 1.209 208 P CA 0.852 63.819 63.100 -0.222 0.000 0.763 208 P CB 0.375 31.970 31.700 -0.176 0.000 0.816 209 G N 2.011 110.652 108.800 -0.264 0.000 2.213 209 G HA2 -0.296 3.649 3.960 -0.026 0.000 0.236 209 G HA3 -0.296 3.649 3.960 -0.026 0.000 0.236 209 G C 0.876 175.629 174.900 -0.245 0.000 0.991 209 G CA 0.120 45.084 45.100 -0.227 0.000 0.629 209 G HN 0.375 nan 8.290 nan 0.000 0.517 210 V N -0.059 119.639 119.914 -0.360 0.000 2.358 210 V HA 0.211 4.316 4.120 -0.026 0.000 0.246 210 V C 1.166 177.057 176.094 -0.337 0.000 1.047 210 V CA 2.120 64.109 62.300 -0.520 0.000 1.035 210 V CB -0.054 31.122 31.823 -1.078 0.000 0.658 210 V HN 0.574 nan 8.190 nan 0.000 0.452 211 L N 0.910 121.998 121.223 -0.225 0.000 2.381 211 L HA 0.553 4.877 4.340 -0.026 0.000 0.274 211 L C -1.081 175.810 176.870 0.035 0.000 0.988 211 L CA -0.357 54.437 54.840 -0.076 0.000 0.824 211 L CB 1.547 43.578 42.059 -0.047 0.000 1.263 211 L HN 0.178 nan 8.230 nan 0.000 0.410 212 N N 5.611 124.324 118.700 0.021 0.000 2.354 212 N HA 0.667 5.391 4.740 -0.026 0.000 0.287 212 N C -1.281 174.287 175.510 0.096 0.000 1.016 212 N CA -0.353 52.724 53.050 0.045 0.000 0.871 212 N CB 2.047 40.502 38.487 -0.054 0.000 1.299 212 N HN 0.485 nan 8.380 nan 0.000 0.482 213 I N 2.092 122.768 120.570 0.176 0.000 2.362 213 I HA 0.335 4.490 4.170 -0.026 0.000 0.289 213 I C -1.045 175.156 176.117 0.140 0.000 0.994 213 I CA -0.746 60.641 61.300 0.145 0.000 1.158 213 I CB 0.968 39.057 38.000 0.150 0.000 1.315 213 I HN 0.201 nan 8.210 nan 0.000 0.451 214 L N 6.571 127.856 121.223 0.103 0.000 2.342 214 L HA 0.437 4.762 4.340 -0.026 0.000 0.276 214 L C 0.397 177.322 176.870 0.092 0.000 0.997 214 L CA -0.203 54.693 54.840 0.094 0.000 0.838 214 L CB 1.690 43.790 42.059 0.069 0.000 1.224 214 L HN 0.640 nan 8.230 nan 0.000 0.416 215 T N -0.096 114.518 114.554 0.099 0.000 2.934 215 T HA 0.974 5.308 4.350 -0.026 0.000 0.283 215 T C 0.255 174.999 174.700 0.072 0.000 1.005 215 T CA -0.200 61.952 62.100 0.086 0.000 1.041 215 T CB 2.043 70.964 68.868 0.088 0.000 1.042 215 T HN 0.929 nan 8.240 nan 0.000 0.505 216 G N 0.457 109.296 108.800 0.065 0.000 2.369 216 G HA2 0.355 4.300 3.960 -0.026 0.000 0.293 216 G HA3 0.355 4.300 3.960 -0.026 0.000 0.293 216 G C -1.804 173.129 174.900 0.056 0.000 1.301 216 G CA -1.217 43.916 45.100 0.055 0.000 0.913 216 G HN 0.781 nan 8.290 nan 0.000 0.540 217 L N 1.950 123.202 121.223 0.047 0.000 2.453 217 L HA 0.446 4.770 4.340 -0.026 0.000 0.272 217 L C 2.202 179.105 176.870 0.055 0.000 1.182 217 L CA 1.225 56.093 54.840 0.047 0.000 0.858 217 L CB 0.554 42.634 42.059 0.035 0.000 1.120 217 L HN 1.111 nan 8.230 nan 0.000 0.474 218 G N 4.492 113.330 108.800 0.064 0.000 2.599 218 G HA2 -0.237 3.708 3.960 -0.026 0.000 0.219 218 G HA3 -0.237 3.708 3.960 -0.026 0.000 0.219 218 G C -0.880 174.051 174.900 0.051 0.000 1.193 218 G CA 0.839 45.982 45.100 0.071 0.000 0.778 218 G HN 0.660 nan 8.290 nan 0.000 0.589 219 P HA 0.052 nan 4.420 nan 0.000 0.220 219 P C 1.508 178.825 177.300 0.029 0.000 1.148 219 P CA 1.187 64.303 63.100 0.026 0.000 0.803 219 P CB 0.111 31.822 31.700 0.020 0.000 0.782 220 E N -1.258 118.962 120.200 0.034 0.000 2.140 220 E HA 0.072 4.406 4.350 -0.026 0.000 0.191 220 E C 1.810 178.435 176.600 0.042 0.000 0.973 220 E CA 0.918 57.339 56.400 0.034 0.000 0.829 220 E CB -0.092 29.627 29.700 0.032 0.000 0.781 220 E HN 0.129 nan 8.360 nan 0.000 0.466 221 A N -0.205 122.644 122.820 0.049 0.000 2.074 221 A HA 0.277 4.581 4.320 -0.026 0.000 0.200 221 A C 2.018 179.640 177.584 0.063 0.000 1.335 221 A CA 0.627 52.698 52.037 0.057 0.000 0.922 221 A CB -0.020 19.016 19.000 0.060 0.000 0.972 221 A HN 0.282 nan 8.150 nan 0.000 0.475 222 G N -0.014 108.826 108.800 0.067 0.000 2.417 222 G HA2 0.174 4.118 3.960 -0.026 0.000 0.212 222 G HA3 0.174 4.118 3.960 -0.026 0.000 0.212 222 G C 1.744 176.679 174.900 0.057 0.000 1.187 222 G CA 1.218 46.364 45.100 0.075 0.000 0.804 222 G HN 0.714 nan 8.290 nan 0.000 0.534 223 A N 1.788 124.633 122.820 0.041 0.000 1.903 223 A HA -0.067 4.237 4.320 -0.026 0.000 0.219 223 A C 0.615 178.222 177.584 0.038 0.000 1.191 223 A CA 2.286 54.338 52.037 0.025 0.000 0.638 223 A CB -1.399 17.611 19.000 0.016 0.000 0.823 223 A HN 0.404 nan 8.150 nan 0.000 0.451 224 P HA -0.031 nan 4.420 nan 0.000 0.230 224 P C 1.084 178.449 177.300 0.108 0.000 1.158 224 P CA 0.271 63.413 63.100 0.070 0.000 0.769 224 P CB 0.039 31.783 31.700 0.074 0.000 0.807 225 L N -0.353 120.923 121.223 0.089 0.000 2.156 225 L HA -0.009 4.315 4.340 -0.026 0.000 0.208 225 L C 2.196 179.121 176.870 0.092 0.000 1.095 225 L CA 1.496 56.389 54.840 0.089 0.000 0.770 225 L CB -1.854 40.247 42.059 0.071 0.000 0.914 225 L HN -0.061 nan 8.230 nan 0.000 0.439 226 A N -1.704 121.157 122.820 0.068 0.000 2.208 226 A HA 0.000 4.305 4.320 -0.026 0.000 0.209 226 A C 1.691 179.308 177.584 0.055 0.000 1.161 226 A CA 1.241 53.310 52.037 0.052 0.000 0.782 226 A CB -0.659 18.352 19.000 0.018 0.000 0.816 226 A HN 0.462 nan 8.150 nan 0.000 0.477 227 T N -4.017 110.578 114.554 0.068 0.000 3.200 227 T HA 0.201 4.535 4.350 -0.026 0.000 0.284 227 T C 0.045 174.784 174.700 0.064 0.000 1.009 227 T CA -0.325 61.804 62.100 0.049 0.000 0.907 227 T CB -0.355 68.525 68.868 0.020 0.000 1.120 227 T HN 0.334 nan 8.240 nan 0.000 0.534 228 H N 2.384 121.464 119.070 0.017 0.000 2.519 228 H HA 0.348 4.888 4.556 -0.027 0.000 0.316 228 H C -2.144 173.195 175.328 0.018 0.000 1.065 228 H CA -2.273 53.785 56.048 0.017 0.000 1.264 228 H CB 2.270 32.044 29.762 0.019 0.000 1.413 228 H HN -0.091 nan 8.280 nan 0.000 0.465 229 P HA -0.143 nan 4.420 nan 0.000 0.218 229 P C 0.493 177.921 177.300 0.213 0.000 1.146 229 P CA 1.310 64.502 63.100 0.154 0.000 0.820 229 P CB 0.479 32.216 31.700 0.062 0.000 0.778 230 D N -1.756 118.874 120.400 0.384 0.000 2.349 230 D HA 0.059 4.684 4.640 -0.026 0.000 0.214 230 D C 0.129 176.431 176.300 0.005 0.000 1.063 230 D CA 0.224 54.301 54.000 0.130 0.000 0.847 230 D CB 0.495 41.349 40.800 0.090 0.000 0.933 230 D HN 0.036 nan 8.370 nan 0.000 0.513 231 V N 2.214 122.143 119.914 0.025 0.000 2.432 231 V HA 0.039 4.144 4.120 -0.026 0.000 0.271 231 V C 1.158 177.283 176.094 0.051 0.000 1.046 231 V CA -0.181 62.124 62.300 0.008 0.000 0.945 231 V CB 1.878 33.711 31.823 0.016 0.000 0.992 231 V HN -0.021 nan 8.190 nan 0.000 0.471 232 D N 3.415 123.846 120.400 0.052 0.000 2.289 232 D HA 0.054 4.678 4.640 -0.026 0.000 0.207 232 D C 0.728 177.070 176.300 0.070 0.000 0.966 232 D CA 0.882 54.919 54.000 0.061 0.000 0.868 232 D CB 0.768 41.606 40.800 0.064 0.000 0.943 232 D HN 0.496 nan 8.370 nan 0.000 0.514 233 K N 0.291 120.741 120.400 0.084 0.000 2.572 233 K HA 0.280 4.584 4.320 -0.026 0.000 0.263 233 K C -1.927 174.739 176.600 0.111 0.000 0.932 233 K CA -0.444 55.898 56.287 0.092 0.000 0.838 233 K CB 2.458 35.013 32.500 0.091 0.000 1.366 233 K HN -0.314 nan 8.250 nan 0.000 0.425 234 V N 2.499 122.477 119.914 0.106 0.000 2.384 234 V HA 0.662 4.766 4.120 -0.026 0.000 0.287 234 V C -0.395 175.786 176.094 0.145 0.000 1.020 234 V CA -0.693 61.681 62.300 0.124 0.000 0.850 234 V CB 1.198 33.081 31.823 0.101 0.000 0.987 234 V HN 0.834 nan 8.190 nan 0.000 0.436 235 A N 5.504 128.435 122.820 0.185 0.000 2.303 235 A HA 0.858 5.163 4.320 -0.026 0.000 0.320 235 A C -1.161 176.559 177.584 0.228 0.000 1.192 235 A CA -0.378 51.773 52.037 0.189 0.000 0.821 235 A CB 0.708 19.847 19.000 0.231 0.000 1.188 235 A HN 0.809 nan 8.150 nan 0.000 0.492 236 F N 1.980 121.946 119.950 0.028 0.000 2.556 236 F HA 0.688 5.198 4.527 -0.028 0.000 0.314 236 F C -0.450 175.345 175.800 -0.009 0.000 1.106 236 F CA -0.013 57.991 58.000 0.006 0.000 0.911 236 F CB 2.300 41.292 39.000 -0.013 0.000 1.190 236 F HN 0.442 nan 8.300 nan 0.000 0.448 237 T N 4.338 118.306 114.554 -0.977 0.000 2.848 237 T HA 0.834 5.169 4.350 -0.026 0.000 0.285 237 T C -0.209 173.676 174.700 -1.357 0.000 0.995 237 T CA -0.221 61.350 62.100 -0.882 0.000 0.970 237 T CB 1.353 69.991 68.868 -0.384 0.000 0.976 237 T HN 1.161 nan 8.240 nan 0.000 0.441 238 G N 1.729 109.969 108.800 -0.932 0.000 2.404 238 G HA2 0.396 4.341 3.960 -0.026 0.000 0.253 238 G HA3 0.396 4.341 3.960 -0.026 0.000 0.253 238 G C -0.574 174.269 174.900 -0.095 0.000 1.253 238 G CA -0.271 44.533 45.100 -0.493 0.000 0.917 238 G HN 1.022 nan 8.290 nan 0.000 0.480 239 S N 0.166 115.900 115.700 0.056 0.000 2.572 239 S HA 0.448 4.902 4.470 -0.026 0.000 0.279 239 S C 1.494 176.184 174.600 0.149 0.000 1.341 239 S CA 0.856 59.075 58.200 0.031 0.000 1.043 239 S CB 1.489 64.691 63.200 0.003 0.000 0.887 239 S HN 1.157 nan 8.310 nan 0.000 0.516 240 S N 2.449 118.203 115.700 0.090 0.000 2.374 240 S HA -0.147 4.307 4.470 -0.026 0.000 0.227 240 S C 2.274 176.910 174.600 0.060 0.000 1.037 240 S CA 1.293 59.556 58.200 0.104 0.000 1.024 240 S CB -1.072 62.217 63.200 0.148 0.000 0.861 240 S HN 0.960 nan 8.310 nan 0.000 0.456 241 A N 1.321 124.170 122.820 0.049 0.000 1.877 241 A HA -0.128 4.176 4.320 -0.026 0.000 0.216 241 A C 2.357 179.928 177.584 -0.023 0.000 1.186 241 A CA 2.102 54.151 52.037 0.020 0.000 0.620 241 A CB -1.301 17.715 19.000 0.027 0.000 0.822 241 A HN 0.490 nan 8.150 nan 0.000 0.443 242 T N -0.381 114.161 114.554 -0.020 0.000 2.857 242 T HA 0.037 4.372 4.350 -0.026 0.000 0.266 242 T C 1.969 176.424 174.700 -0.409 0.000 1.048 242 T CA 1.138 63.160 62.100 -0.130 0.000 1.139 242 T CB -0.567 68.303 68.868 0.004 0.000 0.874 242 T HN 0.587 nan 8.240 nan 0.000 0.455 243 G N 1.341 109.913 108.800 -0.379 0.000 2.491 243 G HA2 -0.251 3.693 3.960 -0.026 0.000 0.218 243 G HA3 -0.251 3.693 3.960 -0.026 0.000 0.218 243 G C 1.888 176.649 174.900 -0.231 0.000 1.180 243 G CA 1.232 46.079 45.100 -0.421 0.000 0.774 243 G HN 0.475 nan 8.290 nan 0.000 0.562 244 S N 0.331 115.967 115.700 -0.106 0.000 2.365 244 S HA -0.140 4.314 4.470 -0.026 0.000 0.225 244 S C 2.318 176.874 174.600 -0.074 0.000 1.039 244 S CA 1.749 59.918 58.200 -0.052 0.000 1.033 244 S CB -0.238 62.950 63.200 -0.020 0.000 0.887 244 S HN 0.473 nan 8.310 nan 0.000 0.447 245 K N 0.455 120.793 120.400 -0.104 0.000 2.057 245 K HA 0.000 4.305 4.320 -0.026 0.000 0.207 245 K C 2.040 178.577 176.600 -0.105 0.000 1.049 245 K CA 1.271 57.505 56.287 -0.089 0.000 0.931 245 K CB -0.334 32.116 32.500 -0.084 0.000 0.714 245 K HN 0.354 nan 8.250 nan 0.000 0.440 246 I N 0.878 121.337 120.570 -0.186 0.000 2.226 246 I HA -0.280 3.874 4.170 -0.026 0.000 0.245 246 I C 2.654 178.716 176.117 -0.092 0.000 1.100 246 I CA 1.098 62.294 61.300 -0.172 0.000 1.374 246 I CB -0.154 37.651 38.000 -0.325 0.000 1.057 246 I HN 0.226 nan 8.210 nan 0.000 0.413 247 M N 0.276 119.827 119.600 -0.080 0.000 2.086 247 M HA -0.206 4.258 4.480 -0.026 0.000 0.261 247 M C 2.377 178.680 176.300 0.005 0.000 1.067 247 M CA 1.905 57.206 55.300 0.001 0.000 1.116 247 M CB -0.211 32.422 32.600 0.055 0.000 1.348 247 M HN 0.183 nan 8.290 nan 0.000 0.407 248 T N 0.947 115.494 114.554 -0.012 0.000 2.597 248 T HA -0.208 4.127 4.350 -0.026 0.000 0.267 248 T C 1.698 176.394 174.700 -0.006 0.000 1.053 248 T CA 1.944 64.040 62.100 -0.008 0.000 1.165 248 T CB -0.558 68.301 68.868 -0.015 0.000 0.863 248 T HN 0.610 nan 8.240 nan 0.000 0.427 249 A N 1.217 124.028 122.820 -0.014 0.000 1.902 249 A HA 0.179 4.483 4.320 -0.026 0.000 0.217 249 A C 2.632 180.219 177.584 0.005 0.000 1.181 249 A CA 1.878 53.910 52.037 -0.007 0.000 0.623 249 A CB -1.085 17.908 19.000 -0.011 0.000 0.818 249 A HN 0.529 nan 8.150 nan 0.000 0.443 250 A N -0.127 122.698 122.820 0.009 0.000 1.972 250 A HA 0.175 4.479 4.320 -0.026 0.000 0.219 250 A C 2.451 180.048 177.584 0.023 0.000 1.169 250 A CA 1.887 53.938 52.037 0.023 0.000 0.635 250 A CB -0.940 18.080 19.000 0.033 0.000 0.810 250 A HN 1.085 nan 8.150 nan 0.000 0.446 251 A N -0.805 122.026 122.820 0.017 0.000 1.948 251 A HA -0.249 4.056 4.320 -0.026 0.000 0.220 251 A C 2.025 179.615 177.584 0.009 0.000 1.177 251 A CA 1.741 53.786 52.037 0.013 0.000 0.636 251 A CB -0.522 18.483 19.000 0.009 0.000 0.815 251 A HN 0.516 nan 8.150 nan 0.000 0.449 252 Q N -1.351 118.453 119.800 0.008 0.000 2.297 252 Q HA -0.109 4.216 4.340 -0.026 0.000 0.208 252 Q C 0.684 176.689 176.000 0.008 0.000 0.981 252 Q CA 1.062 56.869 55.803 0.005 0.000 0.876 252 Q CB -0.167 28.573 28.738 0.003 0.000 0.921 252 Q HN 0.570 nan 8.270 nan 0.000 0.446 253 L N -0.772 120.460 121.223 0.014 0.000 3.122 253 L HA 0.081 4.406 4.340 -0.026 0.000 0.274 253 L C 0.334 177.217 176.870 0.021 0.000 1.222 253 L CA -0.070 54.781 54.840 0.019 0.000 1.028 253 L CB 0.637 42.713 42.059 0.028 0.000 1.386 253 L HN -0.036 nan 8.230 nan 0.000 0.578 254 V N -1.807 118.117 119.914 0.017 0.000 5.257 254 V HA -0.336 3.768 4.120 -0.026 0.000 0.265 254 V C 0.527 176.636 176.094 0.025 0.000 0.646 254 V CA 0.929 63.239 62.300 0.016 0.000 0.650 254 V CB -2.154 29.674 31.823 0.009 0.000 0.424 254 V HN 0.577 nan 8.190 nan 0.000 0.862 255 K N 2.809 123.229 120.400 0.034 0.000 2.258 255 K HA 0.494 4.798 4.320 -0.026 0.000 0.284 255 K C -1.761 174.871 176.600 0.053 0.000 1.051 255 K CA -1.948 54.366 56.287 0.044 0.000 0.923 255 K CB 1.144 33.675 32.500 0.051 0.000 1.046 255 K HN 0.528 nan 8.250 nan 0.000 0.474 256 P HA -0.037 nan 4.420 nan 0.000 0.268 256 P C -0.971 176.384 177.300 0.091 0.000 1.204 256 P CA -0.240 62.901 63.100 0.069 0.000 0.768 256 P CB 1.019 32.751 31.700 0.053 0.000 0.842 257 V N 2.734 122.730 119.914 0.136 0.000 2.709 257 V HA 0.464 4.569 4.120 -0.026 0.000 0.308 257 V C -0.430 175.786 176.094 0.203 0.000 1.062 257 V CA -0.422 61.966 62.300 0.146 0.000 0.901 257 V CB 2.330 34.230 31.823 0.129 0.000 1.003 257 V HN 0.789 nan 8.190 nan 0.000 0.425 258 S N 7.089 122.855 115.700 0.109 0.000 2.501 258 S HA 0.832 5.286 4.470 -0.026 0.000 0.301 258 S C -1.086 173.467 174.600 -0.080 0.000 1.096 258 S CA -0.755 57.460 58.200 0.026 0.000 1.063 258 S CB 1.563 64.784 63.200 0.035 0.000 1.042 258 S HN 0.626 nan 8.310 nan 0.000 0.494 259 L N 2.424 123.425 121.223 -0.370 0.000 2.372 259 L HA 0.535 4.859 4.340 -0.026 0.000 0.274 259 L C -0.466 176.297 176.870 -0.179 0.000 0.988 259 L CA -0.555 54.138 54.840 -0.246 0.000 0.833 259 L CB 1.717 43.498 42.059 -0.463 0.000 1.236 259 L HN 0.657 nan 8.230 nan 0.000 0.410 260 E N 5.398 125.578 120.200 -0.034 0.000 2.092 260 E HA 0.558 4.892 4.350 -0.026 0.000 0.271 260 E C -0.667 175.920 176.600 -0.022 0.000 0.919 260 E CA -0.283 56.116 56.400 -0.002 0.000 0.760 260 E CB 2.405 32.154 29.700 0.083 0.000 1.106 260 E HN 0.478 nan 8.360 nan 0.000 0.408 261 L N 0.450 121.674 121.223 0.002 0.000 2.293 261 L HA 0.635 4.960 4.340 -0.026 0.000 0.264 261 L C 1.193 178.048 176.870 -0.025 0.000 1.029 261 L CA -1.177 53.667 54.840 0.007 0.000 0.897 261 L CB 0.618 42.712 42.059 0.059 0.000 1.497 261 L HN 0.458 nan 8.230 nan 0.000 0.495 262 G N -1.488 107.263 108.800 -0.082 0.000 2.516 262 G HA2 0.584 4.528 3.960 -0.026 0.000 0.276 262 G HA3 0.584 4.528 3.960 -0.026 0.000 0.276 262 G C -0.424 174.307 174.900 -0.281 0.000 1.390 262 G CA 0.209 45.205 45.100 -0.174 0.000 1.050 262 G HN 0.895 nan 8.290 nan 0.000 0.519 263 G N -1.961 106.537 108.800 -0.504 0.000 2.488 263 G HA2 0.475 4.419 3.960 -0.026 0.000 0.301 263 G HA3 0.475 4.419 3.960 -0.026 0.000 0.301 263 G C -1.527 173.000 174.900 -0.621 0.000 1.339 263 G CA -0.592 44.132 45.100 -0.627 0.000 0.803 263 G HN 0.578 nan 8.290 nan 0.000 0.482 264 K N 0.759 120.952 120.400 -0.345 0.000 2.842 264 K HA 0.537 4.841 4.320 -0.026 0.000 0.176 264 K C -0.191 176.301 176.600 -0.181 0.000 1.080 264 K CA -0.271 55.876 56.287 -0.232 0.000 0.954 264 K CB 0.387 32.790 32.500 -0.163 0.000 1.203 264 K HN 0.433 nan 8.250 nan 0.000 0.611 265 S N 3.674 119.282 115.700 -0.155 0.000 2.549 265 S HA 0.303 4.758 4.470 -0.026 0.000 0.279 265 S C -2.383 172.126 174.600 -0.152 0.000 1.321 265 S CA -0.854 57.266 58.200 -0.133 0.000 1.054 265 S CB 0.635 63.797 63.200 -0.064 0.000 0.899 265 S HN 0.430 nan 8.310 nan 0.000 0.497 266 P HA 0.393 nan 4.420 nan 0.000 0.292 266 P C -1.218 176.025 177.300 -0.094 0.000 1.283 266 P CA -0.808 62.220 63.100 -0.120 0.000 0.835 266 P CB 1.029 32.699 31.700 -0.051 0.000 1.017 267 L N 4.621 125.824 121.223 -0.033 0.000 2.305 267 L HA 0.438 4.763 4.340 -0.026 0.000 0.284 267 L C -1.125 175.770 176.870 0.042 0.000 1.013 267 L CA -0.586 54.261 54.840 0.013 0.000 0.819 267 L CB 1.484 43.548 42.059 0.009 0.000 1.227 267 L HN 0.050 nan 8.230 nan 0.000 0.417 268 V N 6.121 126.092 119.914 0.096 0.000 2.347 268 V HA 0.460 4.565 4.120 -0.026 0.000 0.280 268 V C -0.304 175.798 176.094 0.014 0.000 1.021 268 V CA -0.590 61.713 62.300 0.005 0.000 0.847 268 V CB 1.541 33.340 31.823 -0.039 0.000 0.990 268 V HN 0.558 nan 8.190 nan 0.000 0.444 269 V N 6.147 126.044 119.914 -0.029 0.000 2.334 269 V HA 0.464 4.568 4.120 -0.026 0.000 0.281 269 V C -0.179 175.928 176.094 0.022 0.000 1.016 269 V CA -0.470 61.823 62.300 -0.011 0.000 0.832 269 V CB 0.901 32.599 31.823 -0.208 0.000 0.999 269 V HN 0.610 nan 8.190 nan 0.000 0.439 270 F N 2.906 122.967 119.950 0.187 0.000 2.368 270 F HA 0.279 4.790 4.527 -0.027 0.000 0.308 270 F C 1.834 177.625 175.800 -0.014 0.000 1.198 270 F CA -0.247 57.847 58.000 0.157 0.000 1.130 270 F CB 0.735 39.812 39.000 0.128 0.000 1.300 270 F HN 0.622 nan 8.300 nan 0.000 0.537 271 E N 0.933 121.142 120.200 0.016 0.000 2.152 271 E HA -0.173 4.161 4.350 -0.026 0.000 0.192 271 E C 0.311 176.919 176.600 0.014 0.000 0.983 271 E CA 1.083 57.435 56.400 -0.080 0.000 0.818 271 E CB -0.918 28.598 29.700 -0.306 0.000 0.758 271 E HN 0.673 nan 8.360 nan 0.000 0.467 272 D N 1.845 122.267 120.400 0.036 0.000 2.885 272 D HA 0.144 4.768 4.640 -0.026 0.000 0.234 272 D C -0.109 176.235 176.300 0.073 0.000 1.129 272 D CA -0.363 53.660 54.000 0.038 0.000 0.991 272 D CB 0.111 40.917 40.800 0.009 0.000 1.137 272 D HN 0.015 nan 8.370 nan 0.000 0.459 273 V N 0.089 120.061 119.914 0.096 0.000 3.007 273 V HA 0.211 4.315 4.120 -0.026 0.000 0.311 273 V C -1.218 174.955 176.094 0.131 0.000 1.120 273 V CA -1.065 61.308 62.300 0.121 0.000 0.980 273 V CB 2.409 34.324 31.823 0.154 0.000 1.033 273 V HN 0.184 nan 8.190 nan 0.000 0.429 274 D N 4.118 124.597 120.400 0.131 0.000 2.363 274 D HA 0.042 4.666 4.640 -0.026 0.000 0.263 274 D C 0.903 177.304 176.300 0.167 0.000 1.258 274 D CA 0.031 54.111 54.000 0.134 0.000 0.907 274 D CB 1.330 42.203 40.800 0.122 0.000 1.107 274 D HN 0.361 nan 8.370 nan 0.000 0.495 275 L N 4.118 125.446 121.223 0.175 0.000 2.083 275 L HA -0.137 4.187 4.340 -0.026 0.000 0.209 275 L C 1.909 178.849 176.870 0.116 0.000 1.083 275 L CA 1.403 56.369 54.840 0.210 0.000 0.752 275 L CB -0.623 41.554 42.059 0.197 0.000 0.899 275 L HN 0.472 nan 8.230 nan 0.000 0.433 276 D N -0.706 119.776 120.400 0.137 0.000 2.183 276 D HA -0.133 4.491 4.640 -0.026 0.000 0.203 276 D C 2.183 178.446 176.300 -0.062 0.000 0.969 276 D CA 0.785 54.886 54.000 0.169 0.000 0.842 276 D CB 0.179 41.222 40.800 0.405 0.000 0.957 276 D HN 0.313 nan 8.370 nan 0.000 0.484 277 K N 0.688 121.107 120.400 0.032 0.000 2.025 277 K HA -0.022 4.283 4.320 -0.026 0.000 0.207 277 K C 2.121 178.760 176.600 0.064 0.000 1.049 277 K CA 1.114 57.406 56.287 0.009 0.000 0.933 277 K CB -0.032 32.551 32.500 0.139 0.000 0.714 277 K HN -0.022 nan 8.250 nan 0.000 0.438 278 A N 1.227 124.160 122.820 0.189 0.000 1.969 278 A HA -0.051 4.253 4.320 -0.026 0.000 0.218 278 A C 2.276 180.034 177.584 0.290 0.000 1.169 278 A CA 1.648 53.884 52.037 0.332 0.000 0.635 278 A CB -0.520 18.730 19.000 0.417 0.000 0.810 278 A HN 0.335 nan 8.150 nan 0.000 0.445 279 A N -0.427 122.348 122.820 -0.075 0.000 1.930 279 A HA -0.127 4.177 4.320 -0.026 0.000 0.217 279 A C 2.006 179.227 177.584 -0.605 0.000 1.175 279 A CA 1.615 53.343 52.037 -0.515 0.000 0.627 279 A CB -0.409 18.094 19.000 -0.828 0.000 0.815 279 A HN 0.637 nan 8.150 nan 0.000 0.443 280 E N -1.298 118.399 120.200 -0.839 0.000 2.107 280 E HA -0.193 4.142 4.350 -0.026 0.000 0.191 280 E C 1.759 178.111 176.600 -0.412 0.000 0.982 280 E CA 0.925 56.790 56.400 -0.892 0.000 0.809 280 E CB -0.186 28.847 29.700 -1.112 0.000 0.756 280 E HN 0.817 nan 8.360 nan 0.000 0.459 281 W N 0.443 121.621 121.300 -0.204 0.000 2.402 281 W HA -0.074 4.570 4.660 -0.025 0.000 0.286 281 W C 2.430 178.924 176.519 -0.043 0.000 1.221 281 W CA 0.730 58.014 57.345 -0.102 0.000 1.257 281 W CB 0.002 29.413 29.460 -0.082 0.000 1.120 281 W HN 0.174 nan 8.180 nan 0.000 0.551 282 A N 0.248 123.181 122.820 0.189 0.000 1.898 282 A HA -0.158 4.146 4.320 -0.026 0.000 0.216 282 A C 1.816 179.366 177.584 -0.056 0.000 1.181 282 A CA 1.421 53.522 52.037 0.107 0.000 0.620 282 A CB -0.833 18.312 19.000 0.241 0.000 0.819 282 A HN 0.276 nan 8.150 nan 0.000 0.442 283 I N -2.070 118.475 120.570 -0.042 0.000 2.179 283 I HA -0.228 3.926 4.170 -0.026 0.000 0.242 283 I C 2.357 178.505 176.117 0.051 0.000 1.088 283 I CA 1.570 62.860 61.300 -0.017 0.000 1.357 283 I CB -0.363 37.751 38.000 0.190 0.000 1.051 283 I HN 0.425 nan 8.210 nan 0.000 0.409 284 F N 1.580 121.510 119.950 -0.033 0.000 2.161 284 F HA -0.177 4.334 4.527 -0.027 0.000 0.300 284 F C 2.342 178.176 175.800 0.057 0.000 1.089 284 F CA 1.713 59.718 58.000 0.008 0.000 1.282 284 F CB -0.413 38.506 39.000 -0.135 0.000 1.010 284 F HN 0.001 nan 8.300 nan 0.000 0.485 285 G N -1.781 107.077 108.800 0.097 0.000 2.443 285 G HA2 -0.275 3.670 3.960 -0.026 0.000 0.219 285 G HA3 -0.275 3.670 3.960 -0.026 0.000 0.219 285 G C 1.537 176.363 174.900 -0.123 0.000 1.131 285 G CA 1.034 46.117 45.100 -0.029 0.000 0.775 285 G HN 0.526 nan 8.290 nan 0.000 0.547 286 C N -1.734 117.409 119.300 -0.262 0.000 3.123 286 C HA 0.530 4.974 4.460 -0.026 0.000 0.399 286 C C 2.025 176.863 174.990 -0.254 0.000 1.320 286 C CA -0.174 58.618 59.018 -0.376 0.000 1.949 286 C CB -0.514 26.854 27.740 -0.620 0.000 2.692 286 C HN 0.365 nan 8.230 nan 0.000 0.623 287 F N -1.382 118.571 119.950 0.004 0.000 2.602 287 F HA 0.239 4.750 4.527 -0.026 0.000 0.284 287 F C 1.054 176.837 175.800 -0.028 0.000 1.111 287 F CA -0.776 57.220 58.000 -0.006 0.000 1.405 287 F CB -0.316 38.713 39.000 0.048 0.000 1.121 287 F HN 0.262 nan 8.300 nan 0.000 0.603 288 W N 2.748 123.981 121.300 -0.112 0.000 2.253 288 W HA 0.083 4.726 4.660 -0.027 0.000 0.348 288 W C 1.048 177.397 176.519 -0.283 0.000 1.267 288 W CA 0.928 58.094 57.345 -0.299 0.000 1.298 288 W CB 0.318 29.264 29.460 -0.857 0.000 1.181 288 W HN 0.145 nan 8.180 nan 0.000 0.585 289 T N 4.365 118.265 114.554 -1.090 0.000 4.210 289 T HA -0.333 4.002 4.350 -0.026 0.000 0.329 289 T C 0.143 174.521 174.700 -0.538 0.000 0.793 289 T CA 1.217 62.709 62.100 -1.014 0.000 1.935 289 T CB -2.117 65.867 68.868 -1.473 0.000 1.918 289 T HN 0.825 nan 8.240 nan 0.000 0.875 290 N N -1.156 117.369 118.700 -0.291 0.000 2.725 290 N HA -0.239 4.486 4.740 -0.026 0.000 0.249 290 N C 1.102 176.526 175.510 -0.144 0.000 1.103 290 N CA 2.134 55.100 53.050 -0.140 0.000 0.707 290 N CB -1.648 36.768 38.487 -0.118 0.000 1.043 290 N HN 1.641 nan 8.380 nan 0.000 0.553 291 G N -0.946 107.743 108.800 -0.185 0.000 2.179 291 G HA2 -0.364 3.580 3.960 -0.026 0.000 0.260 291 G HA3 -0.364 3.580 3.960 -0.026 0.000 0.260 291 G C 0.081 174.700 174.900 -0.469 0.000 0.977 291 G CA 0.536 45.524 45.100 -0.187 0.000 0.641 291 G HN 0.545 nan 8.290 nan 0.000 0.533 292 Q N 0.106 119.502 119.800 -0.673 0.000 3.041 292 Q HA 0.544 4.868 4.340 -0.026 0.000 0.372 292 Q C 0.135 175.422 176.000 -1.189 0.000 1.241 292 Q CA 0.010 55.033 55.803 -1.299 0.000 1.010 292 Q CB 0.199 28.491 28.738 -0.743 0.000 1.467 292 Q HN 0.642 nan 8.270 nan 0.000 0.462 293 I N -1.103 118.990 120.570 -0.796 0.000 2.362 293 I HA 0.154 4.309 4.170 -0.026 0.000 0.289 293 I C 0.797 176.901 176.117 -0.021 0.000 0.994 293 I CA -0.738 60.389 61.300 -0.287 0.000 1.158 293 I CB 1.441 39.356 38.000 -0.141 0.000 1.315 293 I HN 0.326 nan 8.210 nan 0.000 0.451 294 C N 2.140 121.568 119.300 0.213 0.000 2.401 294 C HA -0.160 4.285 4.460 -0.026 0.000 0.276 294 C C 2.450 177.541 174.990 0.168 0.000 1.233 294 C CA 1.660 60.839 59.018 0.270 0.000 1.753 294 C CB -0.933 26.939 27.740 0.220 0.000 2.029 294 C HN 0.929 nan 8.230 nan 0.000 0.478 295 S N 0.562 116.412 115.700 0.251 0.000 2.679 295 S HA 0.488 4.942 4.470 -0.026 0.000 0.233 295 S C 0.418 175.110 174.600 0.153 0.000 0.951 295 S CA 0.228 58.572 58.200 0.241 0.000 0.973 295 S CB -0.386 63.114 63.200 0.500 0.000 0.778 295 S HN 0.546 nan 8.310 nan 0.000 0.477 296 A N 2.649 125.499 122.820 0.049 0.000 2.524 296 A HA 0.402 4.706 4.320 -0.026 0.000 0.250 296 A C 0.985 178.532 177.584 -0.062 0.000 1.078 296 A CA -0.034 51.982 52.037 -0.034 0.000 0.761 296 A CB -0.364 18.577 19.000 -0.099 0.000 1.012 296 A HN 0.646 nan 8.150 nan 0.000 0.500 297 T N 1.288 115.795 114.554 -0.078 0.000 3.859 297 T HA 0.239 4.573 4.350 -0.026 0.000 0.251 297 T C 0.965 175.591 174.700 -0.122 0.000 1.079 297 T CA 0.131 62.177 62.100 -0.090 0.000 1.151 297 T CB -0.623 68.202 68.868 -0.072 0.000 1.173 297 T HN 0.899 nan 8.240 nan 0.000 0.885 298 S N 1.595 117.213 115.700 -0.136 0.000 2.593 298 S HA 0.179 4.634 4.470 -0.026 0.000 0.217 298 S C 0.643 175.165 174.600 -0.130 0.000 0.966 298 S CA -0.687 57.429 58.200 -0.140 0.000 0.914 298 S CB -0.036 63.078 63.200 -0.144 0.000 0.776 298 S HN 0.640 nan 8.310 nan 0.000 0.523 299 R N 0.958 121.371 120.500 -0.145 0.000 2.435 299 R HA 0.435 4.759 4.340 -0.026 0.000 0.308 299 R C -1.373 174.915 176.300 -0.020 0.000 0.975 299 R CA -0.411 55.609 56.100 -0.133 0.000 0.867 299 R CB 1.471 31.529 30.300 -0.404 0.000 1.171 299 R HN 0.289 nan 8.270 nan 0.000 0.470 300 L N 5.532 126.796 121.223 0.068 0.000 2.265 300 L HA 0.426 4.751 4.340 -0.026 0.000 0.288 300 L C -0.586 176.364 176.870 0.133 0.000 1.058 300 L CA -0.430 54.456 54.840 0.076 0.000 0.809 300 L CB 0.763 42.875 42.059 0.089 0.000 1.179 300 L HN 0.615 nan 8.230 nan 0.000 0.429 301 I N 6.222 126.851 120.570 0.099 0.000 2.371 301 I HA 0.219 4.373 4.170 -0.026 0.000 0.282 301 I C -0.735 175.499 176.117 0.194 0.000 1.031 301 I CA -0.377 61.013 61.300 0.150 0.000 1.180 301 I CB 1.577 39.607 38.000 0.051 0.000 1.336 301 I HN 0.370 nan 8.210 nan 0.000 0.467 302 L N 6.738 128.083 121.223 0.204 0.000 2.333 302 L HA 0.416 4.741 4.340 -0.026 0.000 0.280 302 L C -0.025 176.709 176.870 -0.226 0.000 1.004 302 L CA -0.373 54.462 54.840 -0.008 0.000 0.820 302 L CB 1.118 43.089 42.059 -0.146 0.000 1.247 302 L HN 0.426 nan 8.230 nan 0.000 0.416 303 H N 4.076 122.784 119.070 -0.603 0.000 3.046 303 H HA -0.005 4.535 4.556 -0.026 0.000 0.303 303 H C 0.782 175.816 175.328 -0.489 0.000 1.002 303 H CA 1.163 56.590 56.048 -1.034 0.000 1.460 303 H CB 0.965 30.294 29.762 -0.722 0.000 1.493 303 H HN 0.898 nan 8.280 nan 0.000 0.559 304 E N 2.252 122.034 120.200 -0.696 0.000 2.209 304 E HA -0.205 4.129 4.350 -0.026 0.000 0.196 304 E C 1.658 178.186 176.600 -0.120 0.000 0.993 304 E CA 1.321 57.530 56.400 -0.317 0.000 0.819 304 E CB 0.001 29.517 29.700 -0.307 0.000 0.745 304 E HN 0.599 nan 8.360 nan 0.000 0.477 305 S N 1.712 117.413 115.700 0.001 0.000 2.419 305 S HA -0.155 4.299 4.470 -0.026 0.000 0.233 305 S C 2.105 176.756 174.600 0.085 0.000 1.016 305 S CA 1.147 59.408 58.200 0.103 0.000 0.974 305 S CB -0.738 62.587 63.200 0.208 0.000 0.786 305 S HN 0.636 nan 8.310 nan 0.000 0.492 306 I N -2.598 118.025 120.570 0.088 0.000 4.082 306 I HA 0.606 4.761 4.170 -0.026 0.000 0.337 306 I C 2.073 178.261 176.117 0.119 0.000 1.352 306 I CA 0.074 61.434 61.300 0.100 0.000 1.097 306 I CB -0.227 37.840 38.000 0.111 0.000 1.048 306 I HN 0.196 nan 8.210 nan 0.000 0.393 307 A N 2.304 125.159 122.820 0.059 0.000 1.881 307 A HA -0.258 4.046 4.320 -0.026 0.000 0.219 307 A C 2.332 180.003 177.584 0.146 0.000 1.215 307 A CA 3.247 55.330 52.037 0.078 0.000 0.648 307 A CB -1.534 17.476 19.000 0.018 0.000 0.832 307 A HN 0.520 nan 8.150 nan 0.000 0.455 308 T N 0.429 115.046 114.554 0.105 0.000 2.622 308 T HA -0.189 4.145 4.350 -0.026 0.000 0.266 308 T C 1.798 176.573 174.700 0.125 0.000 1.047 308 T CA 1.927 64.088 62.100 0.101 0.000 1.159 308 T CB -0.481 68.429 68.868 0.070 0.000 0.863 308 T HN 0.871 nan 8.240 nan 0.000 0.422 309 E N 0.183 120.462 120.200 0.132 0.000 2.208 309 E HA -0.075 4.260 4.350 -0.026 0.000 0.193 309 E C 2.038 178.737 176.600 0.164 0.000 0.988 309 E CA 0.709 57.186 56.400 0.129 0.000 0.828 309 E CB -0.545 29.223 29.700 0.114 0.000 0.763 309 E HN 0.540 nan 8.360 nan 0.000 0.478 310 F N 2.107 122.102 119.950 0.075 0.000 2.113 310 F HA -0.037 4.475 4.527 -0.026 0.000 0.297 310 F C 2.028 177.884 175.800 0.094 0.000 1.103 310 F CA 1.259 59.309 58.000 0.083 0.000 1.248 310 F CB -0.008 39.036 39.000 0.073 0.000 0.999 310 F HN -0.099 nan 8.300 nan 0.000 0.475 311 L N 0.230 121.619 121.223 0.276 0.000 2.083 311 L HA -0.250 4.075 4.340 -0.026 0.000 0.209 311 L C 2.177 179.099 176.870 0.086 0.000 1.083 311 L CA 1.044 55.993 54.840 0.183 0.000 0.752 311 L CB -0.865 41.312 42.059 0.197 0.000 0.899 311 L HN 0.221 nan 8.230 nan 0.000 0.433 312 N N 0.002 118.751 118.700 0.081 0.000 2.084 312 N HA -0.153 4.572 4.740 -0.026 0.000 0.190 312 N C 1.933 177.473 175.510 0.051 0.000 1.030 312 N CA 1.084 54.172 53.050 0.063 0.000 0.849 312 N CB -0.256 38.269 38.487 0.063 0.000 1.012 312 N HN 0.258 nan 8.380 nan 0.000 0.423 313 R N 1.037 121.553 120.500 0.027 0.000 2.073 313 R HA 0.002 4.327 4.340 -0.026 0.000 0.234 313 R C 2.321 178.695 176.300 0.123 0.000 1.134 313 R CA 0.462 56.602 56.100 0.066 0.000 0.952 313 R CB -0.935 29.378 30.300 0.021 0.000 0.850 313 R HN 0.304 nan 8.270 nan 0.000 0.433 314 I N 0.861 121.368 120.570 -0.104 0.000 2.286 314 I HA -0.244 3.910 4.170 -0.026 0.000 0.248 314 I C 1.970 178.165 176.117 0.129 0.000 1.115 314 I CA 1.023 62.277 61.300 -0.076 0.000 1.392 314 I CB 0.110 37.964 38.000 -0.244 0.000 1.065 314 I HN -0.111 nan 8.210 nan 0.000 0.418 315 V N 0.983 120.961 119.914 0.106 0.000 2.343 315 V HA -0.286 3.818 4.120 -0.026 0.000 0.247 315 V C 2.429 178.588 176.094 0.109 0.000 1.051 315 V CA 1.810 64.176 62.300 0.110 0.000 1.036 315 V CB -0.746 31.127 31.823 0.083 0.000 0.654 315 V HN 0.384 nan 8.190 nan 0.000 0.451 316 K N -1.216 119.246 120.400 0.104 0.000 2.032 316 K HA -0.232 4.072 4.320 -0.026 0.000 0.209 316 K C 2.009 178.642 176.600 0.054 0.000 1.048 316 K CA 2.121 58.437 56.287 0.049 0.000 0.927 316 K CB -0.341 32.161 32.500 0.003 0.000 0.712 316 K HN 0.492 nan 8.250 nan 0.000 0.441 317 W N 1.323 122.611 121.300 -0.020 0.000 2.338 317 W HA -0.139 4.506 4.660 -0.025 0.000 0.304 317 W C 1.964 178.494 176.519 0.018 0.000 1.212 317 W CA 0.923 58.264 57.345 -0.006 0.000 1.264 317 W CB -0.431 29.022 29.460 -0.011 0.000 1.142 317 W HN 0.023 nan 8.180 nan 0.000 0.512 318 I N 0.252 120.983 120.570 0.269 0.000 2.264 318 I HA -0.336 3.818 4.170 -0.026 0.000 0.248 318 I C 2.275 178.439 176.117 0.079 0.000 1.111 318 I CA 1.215 62.607 61.300 0.153 0.000 1.382 318 I CB -0.472 37.587 38.000 0.099 0.000 1.060 318 I HN -0.126 nan 8.210 nan 0.000 0.418 319 K N 0.412 120.847 120.400 0.059 0.000 2.283 319 K HA -0.087 4.217 4.320 -0.026 0.000 0.202 319 K C 1.385 177.985 176.600 -0.001 0.000 1.048 319 K CA 0.940 57.237 56.287 0.018 0.000 0.948 319 K CB -0.483 32.019 32.500 0.003 0.000 0.742 319 K HN 0.298 nan 8.250 nan 0.000 0.458 320 N N 0.557 119.256 118.700 -0.002 0.000 2.467 320 N HA 0.065 4.789 4.740 -0.026 0.000 0.184 320 N C 0.199 175.721 175.510 0.020 0.000 1.106 320 N CA 0.168 53.204 53.050 -0.024 0.000 0.892 320 N CB 0.102 38.536 38.487 -0.087 0.000 0.969 320 N HN 0.146 nan 8.380 nan 0.000 0.454 321 I N 1.451 122.056 120.570 0.059 0.000 2.421 321 I HA -0.015 4.140 4.170 -0.026 0.000 0.291 321 I C 0.761 176.908 176.117 0.051 0.000 1.089 321 I CA -0.215 61.132 61.300 0.079 0.000 1.354 321 I CB 0.311 38.371 38.000 0.099 0.000 1.413 321 I HN -0.090 nan 8.210 nan 0.000 0.513 322 K N 8.367 128.794 120.400 0.046 0.000 2.363 322 K HA 0.244 4.549 4.320 -0.026 0.000 0.289 322 K C -0.486 176.149 176.600 0.059 0.000 1.063 322 K CA -0.280 56.024 56.287 0.028 0.000 0.967 322 K CB 0.523 33.030 32.500 0.012 0.000 0.987 322 K HN 0.629 nan 8.250 nan 0.000 0.473 323 I N 3.890 124.503 120.570 0.072 0.000 2.312 323 I HA 0.250 4.405 4.170 -0.026 0.000 0.290 323 I C -0.887 175.237 176.117 0.011 0.000 1.008 323 I CA 0.182 61.529 61.300 0.079 0.000 1.226 323 I CB 0.894 38.941 38.000 0.079 0.000 1.371 323 I HN 0.848 nan 8.210 nan 0.000 0.468 324 S N 4.243 119.943 115.700 0.001 0.000 2.727 324 S HA 0.290 4.744 4.470 -0.026 0.000 0.278 324 S C -0.978 173.700 174.600 0.130 0.000 1.186 324 S CA -0.980 57.165 58.200 -0.092 0.000 0.836 324 S CB 0.894 64.085 63.200 -0.014 0.000 1.186 324 S HN 0.719 nan 8.310 nan 0.000 0.499 325 D N 1.348 121.820 120.400 0.120 0.000 2.533 325 D HA 0.129 4.754 4.640 -0.026 0.000 0.236 325 D C -1.458 174.923 176.300 0.136 0.000 1.137 325 D CA -0.880 53.241 54.000 0.202 0.000 0.867 325 D CB 0.987 41.848 40.800 0.101 0.000 1.170 325 D HN 0.167 nan 8.370 nan 0.000 0.474 326 P HA -0.079 nan 4.420 nan 0.000 0.219 326 P C 1.430 178.766 177.300 0.061 0.000 1.146 326 P CA 0.818 63.967 63.100 0.082 0.000 0.808 326 P CB 0.187 31.914 31.700 0.046 0.000 0.779 327 L N -1.193 120.059 121.223 0.048 0.000 2.395 327 L HA 0.012 4.336 4.340 -0.026 0.000 0.218 327 L C 1.173 178.062 176.870 0.033 0.000 1.130 327 L CA 0.348 55.210 54.840 0.036 0.000 0.826 327 L CB -0.556 41.517 42.059 0.024 0.000 0.941 327 L HN 0.011 nan 8.230 nan 0.000 0.451 328 E N 1.668 121.889 120.200 0.035 0.000 2.415 328 E HA -0.056 4.278 4.350 -0.026 0.000 0.263 328 E C 0.159 176.775 176.600 0.027 0.000 0.995 328 E CA 0.007 56.422 56.400 0.024 0.000 0.915 328 E CB 0.501 30.213 29.700 0.019 0.000 0.951 328 E HN 0.136 nan 8.360 nan 0.000 0.449 329 E N 1.195 121.405 120.200 0.018 0.000 2.568 329 E HA -0.120 4.214 4.350 -0.026 0.000 0.262 329 E C 0.816 177.428 176.600 0.020 0.000 0.961 329 E CA 0.949 57.359 56.400 0.018 0.000 0.945 329 E CB 0.180 29.884 29.700 0.008 0.000 0.924 329 E HN 0.789 nan 8.360 nan 0.000 0.467 330 G N 3.166 111.983 108.800 0.029 0.000 2.184 330 G HA2 -0.369 3.575 3.960 -0.026 0.000 0.264 330 G HA3 -0.369 3.575 3.960 -0.026 0.000 0.264 330 G C 0.488 175.418 174.900 0.050 0.000 0.975 330 G CA 0.114 45.234 45.100 0.033 0.000 0.642 330 G HN 0.808 nan 8.290 nan 0.000 0.536 331 C N 1.150 120.485 119.300 0.058 0.000 2.523 331 C HA 0.477 4.922 4.460 -0.026 0.000 0.406 331 C C 1.745 176.797 174.990 0.102 0.000 1.449 331 C CA 0.492 59.556 59.018 0.076 0.000 1.588 331 C CB -0.026 27.764 27.740 0.083 0.000 2.514 331 C HN 0.462 nan 8.230 nan 0.000 0.606 332 R N 2.748 123.314 120.500 0.111 0.000 2.476 332 R HA 0.388 4.713 4.340 -0.026 0.000 0.276 332 R C -0.874 175.515 176.300 0.148 0.000 0.941 332 R CA -0.036 56.151 56.100 0.145 0.000 1.088 332 R CB 0.161 30.549 30.300 0.147 0.000 1.216 332 R HN 0.732 nan 8.270 nan 0.000 0.533 333 L N -0.566 120.734 121.223 0.128 0.000 2.588 333 L HA 0.565 4.890 4.340 -0.026 0.000 0.263 333 L C -0.522 176.448 176.870 0.167 0.000 0.935 333 L CA -0.482 54.432 54.840 0.123 0.000 0.891 333 L CB 1.883 44.007 42.059 0.107 0.000 1.318 333 L HN 0.093 nan 8.230 nan 0.000 0.409 334 G N 3.294 112.171 108.800 0.129 0.000 2.642 334 G HA2 0.749 4.693 3.960 -0.026 0.000 0.291 334 G HA3 0.749 4.693 3.960 -0.026 0.000 0.291 334 G C -2.934 171.980 174.900 0.024 0.000 1.345 334 G CA -1.328 43.863 45.100 0.150 0.000 1.043 334 G HN 0.433 nan 8.290 nan 0.000 0.528 335 P HA 0.285 nan 4.420 nan 0.000 0.276 335 P C 0.432 177.587 177.300 -0.242 0.000 1.252 335 P CA -0.302 62.416 63.100 -0.637 0.000 0.802 335 P CB 1.331 32.339 31.700 -1.154 0.000 1.035 336 V N -0.028 119.817 119.914 -0.116 0.000 3.185 336 V HA 0.037 4.142 4.120 -0.026 0.000 0.305 336 V C 1.780 177.790 176.094 -0.140 0.000 1.090 336 V CA -0.178 62.074 62.300 -0.079 0.000 1.107 336 V CB 0.161 31.987 31.823 0.004 0.000 1.061 336 V HN 0.393 nan 8.190 nan 0.000 0.480 337 V N 2.103 121.832 119.914 -0.309 0.000 2.469 337 V HA -0.008 4.096 4.120 -0.026 0.000 0.251 337 V C 1.134 177.001 176.094 -0.379 0.000 1.064 337 V CA 2.223 64.240 62.300 -0.471 0.000 1.066 337 V CB -0.055 31.078 31.823 -1.149 0.000 0.667 337 V HN 1.471 nan 8.190 nan 0.000 0.461 338 S N -2.744 112.681 115.700 -0.459 0.000 2.588 338 S HA 0.327 4.782 4.470 -0.026 0.000 0.269 338 S C 0.404 174.321 174.600 -1.138 0.000 1.157 338 S CA 0.057 57.858 58.200 -0.665 0.000 0.824 338 S CB 1.365 64.272 63.200 -0.487 0.000 1.126 338 S HN 0.256 nan 8.310 nan 0.000 0.464 339 E N 1.008 120.299 120.200 -1.515 0.000 2.058 339 E HA -0.088 4.247 4.350 -0.026 0.000 0.194 339 E C 1.999 178.357 176.600 -0.405 0.000 0.997 339 E CA 1.918 57.655 56.400 -1.105 0.000 0.801 339 E CB -1.028 28.325 29.700 -0.579 0.000 0.746 339 E HN 0.835 nan 8.360 nan 0.000 0.450 340 G N 0.420 109.036 108.800 -0.306 0.000 2.469 340 G HA2 -0.306 3.638 3.960 -0.026 0.000 0.219 340 G HA3 -0.306 3.638 3.960 -0.026 0.000 0.219 340 G C 1.530 176.370 174.900 -0.100 0.000 1.150 340 G CA 0.815 45.823 45.100 -0.153 0.000 0.763 340 G HN 0.209 nan 8.290 nan 0.000 0.561 341 Q N -0.631 119.089 119.800 -0.133 0.000 2.083 341 Q HA -0.070 4.254 4.340 -0.026 0.000 0.198 341 Q C 2.205 178.211 176.000 0.010 0.000 0.969 341 Q CA 1.086 56.871 55.803 -0.029 0.000 0.838 341 Q CB -0.663 28.044 28.738 -0.053 0.000 0.900 341 Q HN 0.650 nan 8.270 nan 0.000 0.436 342 Y N 2.253 122.445 120.300 -0.181 0.000 2.069 342 Y HA -0.291 4.244 4.550 -0.026 0.000 0.278 342 Y C 1.942 177.822 175.900 -0.033 0.000 1.175 342 Y CA 2.230 60.270 58.100 -0.100 0.000 1.134 342 Y CB -0.073 38.295 38.460 -0.153 0.000 0.965 342 Y HN 0.170 nan 8.280 nan 0.000 0.498 343 E N -0.143 120.010 120.200 -0.078 0.000 2.107 343 E HA -0.183 4.151 4.350 -0.026 0.000 0.191 343 E C 2.231 178.769 176.600 -0.104 0.000 0.982 343 E CA 1.021 57.342 56.400 -0.133 0.000 0.809 343 E CB -0.167 29.520 29.700 -0.021 0.000 0.756 343 E HN 0.404 nan 8.360 nan 0.000 0.459 344 K N 1.055 121.432 120.400 -0.039 0.000 2.057 344 K HA -0.156 4.149 4.320 -0.026 0.000 0.207 344 K C 2.016 178.698 176.600 0.137 0.000 1.049 344 K CA 1.074 57.368 56.287 0.012 0.000 0.931 344 K CB -0.052 32.497 32.500 0.082 0.000 0.714 344 K HN 0.089 nan 8.250 nan 0.000 0.440 345 I N 1.325 121.982 120.570 0.146 0.000 2.179 345 I HA -0.297 3.857 4.170 -0.026 0.000 0.242 345 I C 2.209 178.401 176.117 0.124 0.000 1.088 345 I CA 1.066 62.492 61.300 0.210 0.000 1.357 345 I CB -0.178 37.877 38.000 0.093 0.000 1.051 345 I HN 0.133 nan 8.210 nan 0.000 0.409 346 L N 0.317 121.503 121.223 -0.061 0.000 2.131 346 L HA -0.205 4.119 4.340 -0.026 0.000 0.210 346 L C 2.513 179.365 176.870 -0.031 0.000 1.092 346 L CA 1.246 56.031 54.840 -0.092 0.000 0.759 346 L CB -0.530 41.381 42.059 -0.248 0.000 0.903 346 L HN 0.171 nan 8.230 nan 0.000 0.435 347 K N -0.122 120.247 120.400 -0.051 0.000 2.097 347 K HA -0.145 4.159 4.320 -0.026 0.000 0.205 347 K C 1.987 178.543 176.600 -0.072 0.000 1.050 347 K CA 1.347 57.579 56.287 -0.091 0.000 0.938 347 K CB -0.109 32.289 32.500 -0.169 0.000 0.718 347 K HN 0.000 nan 8.250 nan 0.000 0.442 348 F N 0.044 119.992 119.950 -0.003 0.000 2.161 348 F HA -0.217 4.294 4.527 -0.026 0.000 0.300 348 F C 2.084 177.901 175.800 0.028 0.000 1.089 348 F CA 0.989 59.003 58.000 0.023 0.000 1.282 348 F CB -0.431 38.590 39.000 0.035 0.000 1.010 348 F HN -0.160 nan 8.300 nan 0.000 0.485 349 V N -0.412 119.623 119.914 0.202 0.000 2.307 349 V HA -0.256 3.849 4.120 -0.026 0.000 0.245 349 V C 2.418 178.562 176.094 0.083 0.000 1.045 349 V CA 1.946 64.321 62.300 0.125 0.000 1.024 349 V CB -1.018 30.854 31.823 0.081 0.000 0.651 349 V HN 0.479 nan 8.190 nan 0.000 0.449 350 S N 0.619 116.348 115.700 0.048 0.000 2.383 350 S HA -0.196 4.258 4.470 -0.026 0.000 0.227 350 S C 1.796 176.414 174.600 0.030 0.000 1.026 350 S CA 1.511 59.727 58.200 0.027 0.000 0.981 350 S CB -0.644 62.556 63.200 0.001 0.000 0.818 350 S HN 0.556 nan 8.310 nan 0.000 0.472 351 N N 2.907 121.624 118.700 0.029 0.000 2.120 351 N HA 0.068 4.793 4.740 -0.026 0.000 0.188 351 N C 1.929 177.478 175.510 0.065 0.000 1.024 351 N CA 1.604 54.672 53.050 0.030 0.000 0.852 351 N CB -1.003 37.488 38.487 0.006 0.000 1.003 351 N HN 0.623 nan 8.380 nan 0.000 0.424 352 A N 0.712 123.593 122.820 0.100 0.000 1.972 352 A HA -0.132 4.172 4.320 -0.026 0.000 0.219 352 A C 2.153 179.784 177.584 0.078 0.000 1.169 352 A CA 1.293 53.394 52.037 0.107 0.000 0.635 352 A CB -0.375 18.707 19.000 0.136 0.000 0.810 352 A HN 0.245 nan 8.150 nan 0.000 0.446 353 K N -0.258 120.180 120.400 0.064 0.000 2.057 353 K HA -0.061 4.243 4.320 -0.026 0.000 0.206 353 K C 2.039 178.662 176.600 0.039 0.000 1.050 353 K CA 1.371 57.687 56.287 0.048 0.000 0.935 353 K CB -0.116 32.409 32.500 0.041 0.000 0.715 353 K HN 0.433 nan 8.250 nan 0.000 0.439 354 S N 0.947 116.667 115.700 0.035 0.000 2.474 354 S HA -0.068 4.387 4.470 -0.026 0.000 0.235 354 S C 1.038 175.655 174.600 0.029 0.000 0.997 354 S CA 0.944 59.160 58.200 0.026 0.000 0.949 354 S CB -0.034 63.177 63.200 0.018 0.000 0.766 354 S HN 0.353 nan 8.310 nan 0.000 0.517 355 E N -0.174 120.050 120.200 0.040 0.000 2.474 355 E HA 0.237 4.571 4.350 -0.026 0.000 0.195 355 E C 1.059 177.680 176.600 0.036 0.000 1.039 355 E CA 0.213 56.637 56.400 0.040 0.000 0.881 355 E CB 0.424 30.157 29.700 0.055 0.000 0.970 355 E HN 0.490 nan 8.360 nan 0.000 0.486 356 G N 1.207 110.029 108.800 0.036 0.000 2.134 356 G HA2 -0.227 3.717 3.960 -0.026 0.000 0.209 356 G HA3 -0.227 3.717 3.960 -0.026 0.000 0.209 356 G C 0.204 175.126 174.900 0.036 0.000 0.993 356 G CA -0.024 45.095 45.100 0.031 0.000 0.669 356 G HN 0.399 nan 8.290 nan 0.000 0.519 357 A N -0.266 122.583 122.820 0.049 0.000 2.279 357 A HA 0.849 5.154 4.320 -0.026 0.000 0.303 357 A C 0.530 178.148 177.584 0.058 0.000 1.108 357 A CA 0.564 52.636 52.037 0.057 0.000 0.830 357 A CB 0.803 19.851 19.000 0.079 0.000 1.106 357 A HN 0.702 nan 8.150 nan 0.000 0.493 358 T N 2.416 117.006 114.554 0.061 0.000 2.795 358 T HA 0.424 4.759 4.350 -0.026 0.000 0.282 358 T C 0.018 174.761 174.700 0.072 0.000 0.980 358 T CA -0.206 61.930 62.100 0.059 0.000 1.012 358 T CB 0.525 69.425 68.868 0.054 0.000 0.936 358 T HN 0.362 nan 8.240 nan 0.000 0.457 359 I N 4.808 125.417 120.570 0.066 0.000 2.294 359 I HA 0.143 4.297 4.170 -0.026 0.000 0.295 359 I C 1.378 177.536 176.117 0.068 0.000 1.098 359 I CA -0.188 61.154 61.300 0.071 0.000 1.277 359 I CB -0.160 37.877 38.000 0.060 0.000 1.434 359 I HN 0.677 nan 8.210 nan 0.000 0.498 360 L N 3.968 125.240 121.223 0.082 0.000 2.017 360 L HA -0.086 4.238 4.340 -0.026 0.000 0.208 360 L C 0.957 177.869 176.870 0.071 0.000 1.073 360 L CA 1.550 56.438 54.840 0.080 0.000 0.745 360 L CB 0.304 42.423 42.059 0.100 0.000 0.894 360 L HN 0.705 nan 8.230 nan 0.000 0.432 361 T N -2.022 112.577 114.554 0.074 0.000 2.889 361 T HA 0.540 4.874 4.350 -0.026 0.000 0.315 361 T C -0.221 174.502 174.700 0.038 0.000 1.291 361 T CA 0.152 62.285 62.100 0.054 0.000 1.028 361 T CB 1.491 70.394 68.868 0.057 0.000 1.235 361 T HN 0.656 nan 8.240 nan 0.000 0.491 362 G N 1.606 110.416 108.800 0.017 0.000 2.553 362 G HA2 0.291 4.236 3.960 -0.026 0.000 0.242 362 G HA3 0.291 4.236 3.960 -0.026 0.000 0.242 362 G C 0.835 175.747 174.900 0.019 0.000 1.277 362 G CA 0.974 46.075 45.100 0.001 0.000 0.910 362 G HN 2.338 nan 8.290 nan 0.000 0.576 363 G N -2.824 105.987 108.800 0.018 0.000 2.284 363 G HA2 0.374 4.318 3.960 -0.026 0.000 0.201 363 G HA3 0.374 4.318 3.960 -0.026 0.000 0.201 363 G C 0.761 175.670 174.900 0.016 0.000 0.998 363 G CA 1.439 46.555 45.100 0.027 0.000 0.651 363 G HN 2.843 nan 8.290 nan 0.000 0.489 364 S N -0.790 114.922 115.700 0.019 0.000 2.752 364 S HA 0.750 5.204 4.470 -0.026 0.000 0.284 364 S C -0.077 174.559 174.600 0.060 0.000 1.189 364 S CA -0.059 58.156 58.200 0.025 0.000 0.835 364 S CB 1.254 64.472 63.200 0.029 0.000 1.192 364 S HN 1.314 nan 8.310 nan 0.000 0.506 365 R N -0.057 120.510 120.500 0.112 0.000 2.784 365 R HA 0.534 4.858 4.340 -0.026 0.000 0.266 365 R C -2.828 173.497 176.300 0.041 0.000 1.044 365 R CA -0.874 55.317 56.100 0.152 0.000 1.151 365 R CB -1.075 29.363 30.300 0.231 0.000 1.037 365 R HN 0.318 nan 8.270 nan 0.000 0.478 366 P HA 0.021 nan 4.420 nan 0.000 0.277 366 P C -0.271 176.915 177.300 -0.190 0.000 1.240 366 P CA -0.400 62.610 63.100 -0.150 0.000 0.798 366 P CB 1.048 32.532 31.700 -0.359 0.000 0.979 367 E N 1.460 121.596 120.200 -0.107 0.000 2.106 367 E HA -0.227 4.107 4.350 -0.026 0.000 0.192 367 E C 1.206 177.758 176.600 -0.080 0.000 0.984 367 E CA 1.270 57.639 56.400 -0.053 0.000 0.806 367 E CB -0.134 29.575 29.700 0.015 0.000 0.750 367 E HN 0.648 nan 8.360 nan 0.000 0.458 368 H N -1.238 117.789 119.070 -0.070 0.000 2.555 368 H HA 0.201 4.741 4.556 -0.026 0.000 0.269 368 H C 0.230 175.479 175.328 -0.132 0.000 0.988 368 H CA 0.141 56.134 56.048 -0.091 0.000 1.178 368 H CB -0.267 29.438 29.762 -0.096 0.000 1.373 368 H HN -0.026 nan 8.280 nan 0.000 0.588 369 L N 1.466 122.423 121.223 -0.444 0.000 2.316 369 L HA 0.326 4.651 4.340 -0.026 0.000 0.280 369 L C 0.319 177.079 176.870 -0.184 0.000 1.006 369 L CA -0.809 53.811 54.840 -0.367 0.000 0.836 369 L CB 1.886 43.514 42.059 -0.718 0.000 1.221 369 L HN 0.038 nan 8.230 nan 0.000 0.418 370 K N 1.123 121.459 120.400 -0.108 0.000 2.166 370 K HA 0.217 4.522 4.320 -0.026 0.000 0.201 370 K C 0.432 177.000 176.600 -0.054 0.000 1.052 370 K CA 0.696 56.946 56.287 -0.061 0.000 0.969 370 K CB 0.301 32.773 32.500 -0.046 0.000 0.761 370 K HN 0.325 nan 8.250 nan 0.000 0.459 371 K N 0.299 120.666 120.400 -0.055 0.000 2.221 371 K HA 0.514 4.819 4.320 -0.026 0.000 0.243 371 K C 0.094 176.664 176.600 -0.050 0.000 0.968 371 K CA -0.210 56.023 56.287 -0.090 0.000 0.846 371 K CB 1.869 34.309 32.500 -0.099 0.000 1.141 371 K HN 0.283 nan 8.250 nan 0.000 0.434 372 G N 0.795 109.400 108.800 -0.326 0.000 2.663 372 G HA2 -0.182 3.763 3.960 -0.026 0.000 0.686 372 G HA3 -0.182 3.763 3.960 -0.026 0.000 0.686 372 G C -0.850 173.619 174.900 -0.719 0.000 1.246 372 G CA -0.962 43.777 45.100 -0.601 0.000 0.795 372 G HN 0.297 nan 8.290 nan 0.000 0.627 373 F N 0.891 120.467 119.950 -0.624 0.000 2.660 373 F HA 0.511 5.023 4.527 -0.026 0.000 0.342 373 F C 0.727 176.274 175.800 -0.422 0.000 1.195 373 F CA -0.953 56.640 58.000 -0.678 0.000 1.300 373 F CB -0.429 38.279 39.000 -0.486 0.000 1.616 373 F HN 0.286 nan 8.300 nan 0.000 0.592 374 F N 1.304 121.254 119.950 -0.000 0.000 2.385 374 F HA 0.589 5.101 4.527 -0.026 0.000 0.336 374 F C 0.295 176.213 175.800 0.196 0.000 1.100 374 F CA -0.743 57.298 58.000 0.067 0.000 1.116 374 F CB 1.000 39.973 39.000 -0.045 0.000 1.166 374 F HN -0.054 nan 8.300 nan 0.000 0.511 375 I N 1.829 122.582 120.570 0.304 0.000 2.569 375 I HA 0.203 4.357 4.170 -0.026 0.000 0.290 375 I C -0.650 175.520 176.117 0.088 0.000 1.088 375 I CA -0.797 60.614 61.300 0.186 0.000 1.047 375 I CB 2.140 40.219 38.000 0.130 0.000 1.237 375 I HN 0.560 nan 8.210 nan 0.000 0.421 376 E N 6.347 126.569 120.200 0.036 0.000 2.392 376 E HA 0.140 4.474 4.350 -0.026 0.000 0.264 376 E C -2.324 174.195 176.600 -0.135 0.000 1.024 376 E CA -1.548 54.832 56.400 -0.034 0.000 0.903 376 E CB 0.080 29.766 29.700 -0.024 0.000 0.963 376 E HN 0.212 nan 8.360 nan 0.000 0.432 377 P HA -0.038 nan 4.420 nan 0.000 0.262 377 P C -1.027 176.020 177.300 -0.421 0.000 1.199 377 P CA 0.439 63.105 63.100 -0.724 0.000 0.763 377 P CB 0.432 31.482 31.700 -1.083 0.000 0.790 378 T N 4.871 119.296 114.554 -0.215 0.000 2.794 378 T HA 0.558 4.893 4.350 -0.026 0.000 0.280 378 T C 0.253 175.077 174.700 0.208 0.000 0.987 378 T CA -0.366 61.751 62.100 0.028 0.000 0.993 378 T CB 0.676 69.582 68.868 0.063 0.000 0.939 378 T HN 0.188 nan 8.240 nan 0.000 0.449 379 I N 3.694 124.376 120.570 0.187 0.000 2.406 379 I HA 0.457 4.612 4.170 -0.026 0.000 0.290 379 I C -0.551 175.662 176.117 0.161 0.000 0.999 379 I CA -0.821 60.614 61.300 0.224 0.000 1.124 379 I CB 1.547 39.687 38.000 0.233 0.000 1.289 379 I HN 0.454 nan 8.210 nan 0.000 0.441 380 I N 5.372 126.038 120.570 0.160 0.000 2.362 380 I HA 0.360 4.515 4.170 -0.026 0.000 0.289 380 I C 0.191 176.390 176.117 0.137 0.000 0.994 380 I CA -0.133 61.249 61.300 0.136 0.000 1.158 380 I CB 2.004 40.086 38.000 0.136 0.000 1.315 380 I HN 0.510 nan 8.210 nan 0.000 0.451 381 T N 2.566 117.188 114.554 0.113 0.000 2.807 381 T HA 0.268 4.602 4.350 -0.026 0.000 0.277 381 T C -0.794 173.951 174.700 0.075 0.000 1.006 381 T CA -0.248 61.912 62.100 0.101 0.000 1.006 381 T CB 0.801 69.727 68.868 0.098 0.000 1.274 381 T HN 0.689 nan 8.240 nan 0.000 0.569 382 D N 0.397 120.829 120.400 0.053 0.000 2.735 382 D HA -0.110 4.514 4.640 -0.026 0.000 0.235 382 D C -0.603 175.711 176.300 0.022 0.000 1.175 382 D CA 0.450 54.467 54.000 0.028 0.000 0.683 382 D CB -1.556 39.260 40.800 0.027 0.000 1.008 382 D HN 0.258 nan 8.370 nan 0.000 0.416 383 V N 0.407 120.330 119.914 0.016 0.000 2.472 383 V HA 0.445 4.549 4.120 -0.026 0.000 0.290 383 V C 0.869 176.900 176.094 -0.105 0.000 1.037 383 V CA -0.156 62.151 62.300 0.012 0.000 0.908 383 V CB 2.162 34.049 31.823 0.106 0.000 0.985 383 V HN 0.219 nan 8.190 nan 0.000 0.454 384 T N 2.604 117.097 114.554 -0.103 0.000 2.823 384 T HA 0.180 4.515 4.350 -0.026 0.000 0.279 384 T C 1.182 175.714 174.700 -0.279 0.000 0.998 384 T CA 0.014 62.005 62.100 -0.182 0.000 0.994 384 T CB 1.555 70.369 68.868 -0.090 0.000 0.960 384 T HN 0.892 nan 8.240 nan 0.000 0.448 385 T N 3.119 117.400 114.554 -0.455 0.000 2.802 385 T HA -0.180 4.154 4.350 -0.026 0.000 0.269 385 T C 1.607 176.218 174.700 -0.147 0.000 1.062 385 T CA 2.374 64.110 62.100 -0.607 0.000 1.133 385 T CB -0.311 68.322 68.868 -0.391 0.000 0.852 385 T HN 0.807 nan 8.240 nan 0.000 0.485 386 N N -0.741 117.931 118.700 -0.045 0.000 2.353 386 N HA 0.156 4.880 4.740 -0.026 0.000 0.185 386 N C 0.432 176.005 175.510 0.104 0.000 1.098 386 N CA -0.004 53.080 53.050 0.056 0.000 0.872 386 N CB -0.385 38.118 38.487 0.026 0.000 0.970 386 N HN 0.355 nan 8.380 nan 0.000 0.467 387 M N 0.870 120.537 119.600 0.110 0.000 2.252 387 M HA -0.033 4.431 4.480 -0.026 0.000 0.333 387 M C 1.723 178.153 176.300 0.217 0.000 1.111 387 M CA 0.079 55.467 55.300 0.148 0.000 1.140 387 M CB 0.891 33.578 32.600 0.144 0.000 1.538 387 M HN 0.265 nan 8.290 nan 0.000 0.448 388 Q N 2.305 122.220 119.800 0.192 0.000 2.077 388 Q HA -0.234 4.091 4.340 -0.026 0.000 0.206 388 Q C 1.630 177.796 176.000 0.277 0.000 0.989 388 Q CA 2.005 57.947 55.803 0.231 0.000 0.853 388 Q CB -0.135 28.732 28.738 0.216 0.000 0.907 388 Q HN 0.782 nan 8.270 nan 0.000 0.418 389 I N 0.502 121.234 120.570 0.270 0.000 2.315 389 I HA -0.276 3.878 4.170 -0.026 0.000 0.251 389 I C 1.893 178.136 176.117 0.211 0.000 1.125 389 I CA 1.480 62.917 61.300 0.229 0.000 1.392 389 I CB -0.386 37.742 38.000 0.212 0.000 1.065 389 I HN 0.523 nan 8.210 nan 0.000 0.424 390 W N 0.980 122.328 121.300 0.079 0.000 2.436 390 W HA -0.136 4.508 4.660 -0.025 0.000 0.284 390 W C 2.116 178.681 176.519 0.077 0.000 1.225 390 W CA 1.058 58.442 57.345 0.065 0.000 1.271 390 W CB -0.021 29.475 29.460 0.060 0.000 1.114 390 W HN 0.104 nan 8.180 nan 0.000 0.559 391 R N -0.326 120.270 120.500 0.161 0.000 2.195 391 R HA 0.117 4.441 4.340 -0.026 0.000 0.197 391 R C 0.297 176.676 176.300 0.131 0.000 0.990 391 R CA 0.305 56.470 56.100 0.109 0.000 1.048 391 R CB 0.059 30.480 30.300 0.201 0.000 0.997 391 R HN 0.023 nan 8.270 nan 0.000 0.502 392 E N 1.556 121.839 120.200 0.139 0.000 2.242 392 E HA 0.094 4.429 4.350 -0.026 0.000 0.275 392 E C -0.948 175.616 176.600 -0.060 0.000 1.002 392 E CA -0.424 56.067 56.400 0.151 0.000 0.841 392 E CB 1.691 31.581 29.700 0.316 0.000 1.109 392 E HN 0.053 nan 8.360 nan 0.000 0.394 393 E N 1.967 122.109 120.200 -0.098 0.000 2.299 393 E HA 0.030 4.365 4.350 -0.026 0.000 0.272 393 E C 0.278 176.661 176.600 -0.361 0.000 1.043 393 E CA -0.249 56.017 56.400 -0.224 0.000 0.895 393 E CB 0.803 30.360 29.700 -0.239 0.000 1.011 393 E HN 0.308 nan 8.360 nan 0.000 0.432 394 V N 5.238 124.873 119.914 -0.465 0.000 2.426 394 V HA -0.062 4.042 4.120 -0.026 0.000 0.242 394 V C 0.865 176.896 176.094 -0.106 0.000 1.036 394 V CA 0.524 62.402 62.300 -0.702 0.000 1.044 394 V CB -0.659 30.814 31.823 -0.584 0.000 0.688 394 V HN 0.969 nan 8.190 nan 0.000 0.462 395 F N 0.822 120.653 119.950 -0.197 0.000 3.058 395 F HA -0.046 4.465 4.527 -0.026 0.000 0.295 395 F C 0.474 176.269 175.800 -0.008 0.000 0.875 395 F CA 0.705 58.658 58.000 -0.078 0.000 1.150 395 F CB -1.135 37.854 39.000 -0.019 0.000 1.175 395 F HN 0.306 nan 8.300 nan 0.000 0.599 396 G N -0.707 108.084 108.800 -0.016 0.000 2.727 396 G HA2 0.639 4.583 3.960 -0.026 0.000 0.289 396 G HA3 0.639 4.583 3.960 -0.026 0.000 0.289 396 G C -3.084 171.843 174.900 0.044 0.000 1.418 396 G CA -1.032 44.072 45.100 0.006 0.000 0.818 396 G HN -0.210 nan 8.290 nan 0.000 0.486 397 P HA 0.313 nan 4.420 nan 0.000 0.231 397 P C -0.663 176.834 177.300 0.328 0.000 1.756 397 P CA -0.066 63.192 63.100 0.263 0.000 0.990 397 P CB 0.233 31.955 31.700 0.037 0.000 1.973 398 V N 2.920 123.029 119.914 0.326 0.000 2.488 398 V HA 0.323 4.427 4.120 -0.026 0.000 0.293 398 V C -0.322 175.889 176.094 0.196 0.000 1.027 398 V CA -0.753 61.699 62.300 0.253 0.000 0.862 398 V CB 2.163 34.047 31.823 0.101 0.000 1.008 398 V HN 0.092 nan 8.190 nan 0.000 0.428 399 L N 6.656 128.033 121.223 0.256 0.000 2.334 399 L HA 0.893 5.217 4.340 -0.026 0.000 0.276 399 L C 0.008 176.961 176.870 0.139 0.000 1.014 399 L CA 0.032 54.935 54.840 0.104 0.000 0.815 399 L CB 1.487 43.558 42.059 0.020 0.000 1.268 399 L HN 0.912 nan 8.230 nan 0.000 0.428 400 C N 2.831 122.201 119.300 0.116 0.000 2.454 400 C HA 0.934 5.378 4.460 -0.026 0.000 0.336 400 C C -0.407 174.708 174.990 0.209 0.000 1.189 400 C CA -0.890 58.236 59.018 0.179 0.000 1.877 400 C CB 0.937 28.815 27.740 0.229 0.000 2.348 400 C HN 0.602 nan 8.230 nan 0.000 0.508 401 V N 2.432 122.477 119.914 0.219 0.000 2.531 401 V HA 0.611 4.715 4.120 -0.026 0.000 0.301 401 V C -0.183 176.021 176.094 0.183 0.000 1.034 401 V CA -0.363 62.057 62.300 0.199 0.000 0.865 401 V CB 1.409 33.329 31.823 0.162 0.000 0.995 401 V HN 0.974 nan 8.190 nan 0.000 0.424 402 K N 1.332 121.849 120.400 0.195 0.000 2.395 402 K HA 0.718 5.022 4.320 -0.026 0.000 0.247 402 K C -0.750 175.907 176.600 0.095 0.000 0.973 402 K CA -0.640 55.696 56.287 0.082 0.000 0.828 402 K CB 2.620 35.092 32.500 -0.047 0.000 1.272 402 K HN 0.713 nan 8.250 nan 0.000 0.439 403 T N 1.019 115.596 114.554 0.038 0.000 2.950 403 T HA 0.752 5.087 4.350 -0.026 0.000 0.288 403 T C -1.301 173.441 174.700 0.070 0.000 1.035 403 T CA -0.610 61.498 62.100 0.014 0.000 1.028 403 T CB 0.438 69.266 68.868 -0.068 0.000 1.109 403 T HN 0.451 nan 8.240 nan 0.000 0.514 404 F N 0.171 120.020 119.950 -0.168 0.000 2.685 404 F HA 0.684 5.196 4.527 -0.025 0.000 0.315 404 F C 0.507 176.118 175.800 -0.315 0.000 1.126 404 F CA -0.587 57.304 58.000 -0.181 0.000 0.950 404 F CB 1.011 39.927 39.000 -0.140 0.000 1.360 404 F HN 0.470 nan 8.300 nan 0.000 0.469 405 S N -1.285 114.319 115.700 -0.161 0.000 2.830 405 S HA 0.215 4.669 4.470 -0.026 0.000 0.249 405 S C 0.446 175.159 174.600 0.187 0.000 1.084 405 S CA 0.586 58.594 58.200 -0.320 0.000 0.852 405 S CB -0.218 62.874 63.200 -0.180 0.000 0.802 405 S HN 0.976 nan 8.310 nan 0.000 0.481 406 T N 0.509 115.270 114.554 0.346 0.000 2.875 406 T HA 0.497 4.831 4.350 -0.026 0.000 0.284 406 T C 0.720 175.673 174.700 0.422 0.000 0.995 406 T CA -0.471 61.839 62.100 0.349 0.000 1.060 406 T CB 2.099 71.076 68.868 0.182 0.000 0.967 406 T HN 0.293 nan 8.240 nan 0.000 0.476 407 E N 1.187 121.639 120.200 0.419 0.000 2.086 407 E HA -0.321 4.013 4.350 -0.026 0.000 0.200 407 E C 1.804 178.459 176.600 0.093 0.000 1.012 407 E CA 1.910 58.514 56.400 0.340 0.000 0.812 407 E CB -0.086 29.752 29.700 0.230 0.000 0.743 407 E HN 0.907 nan 8.360 nan 0.000 0.453 408 E N 0.271 120.515 120.200 0.074 0.000 2.085 408 E HA -0.273 4.061 4.350 -0.026 0.000 0.194 408 E C 2.100 178.697 176.600 -0.004 0.000 0.994 408 E CA 1.457 57.868 56.400 0.019 0.000 0.801 408 E CB -0.097 29.620 29.700 0.028 0.000 0.743 408 E HN 0.370 nan 8.360 nan 0.000 0.453 409 E N -0.395 119.819 120.200 0.023 0.000 2.150 409 E HA -0.164 4.170 4.350 -0.026 0.000 0.193 409 E C 1.893 178.433 176.600 -0.099 0.000 0.985 409 E CA 0.762 57.166 56.400 0.007 0.000 0.814 409 E CB -0.058 29.691 29.700 0.081 0.000 0.752 409 E HN 0.341 nan 8.360 nan 0.000 0.466 410 A N 1.151 123.785 122.820 -0.311 0.000 1.873 410 A HA -0.148 4.156 4.320 -0.026 0.000 0.215 410 A C 2.126 179.526 177.584 -0.307 0.000 1.186 410 A CA 1.100 52.729 52.037 -0.681 0.000 0.616 410 A CB -0.574 17.527 19.000 -1.497 0.000 0.823 410 A HN 0.275 nan 8.150 nan 0.000 0.442 411 I N -0.014 120.432 120.570 -0.207 0.000 2.163 411 I HA -0.268 3.887 4.170 -0.026 0.000 0.243 411 I C 1.945 178.038 176.117 -0.040 0.000 1.085 411 I CA 1.586 62.803 61.300 -0.139 0.000 1.347 411 I CB -0.439 37.474 38.000 -0.145 0.000 1.044 411 I HN 0.267 nan 8.210 nan 0.000 0.408 412 D N 0.739 121.122 120.400 -0.027 0.000 2.117 412 D HA -0.143 4.481 4.640 -0.026 0.000 0.197 412 D C 2.344 178.688 176.300 0.073 0.000 0.987 412 D CA 1.307 55.319 54.000 0.020 0.000 0.829 412 D CB -0.256 40.553 40.800 0.014 0.000 0.961 412 D HN 0.296 nan 8.370 nan 0.000 0.460 413 L N 0.624 121.892 121.223 0.076 0.000 2.093 413 L HA -0.131 4.193 4.340 -0.026 0.000 0.208 413 L C 2.541 179.561 176.870 0.251 0.000 1.085 413 L CA 0.974 55.938 54.840 0.206 0.000 0.755 413 L CB -0.342 41.825 42.059 0.179 0.000 0.904 413 L HN -0.032 nan 8.230 nan 0.000 0.435 414 A N 0.194 123.101 122.820 0.145 0.000 1.877 414 A HA -0.185 4.119 4.320 -0.026 0.000 0.216 414 A C 1.851 179.530 177.584 0.159 0.000 1.186 414 A CA 1.803 53.949 52.037 0.181 0.000 0.620 414 A CB -0.467 18.729 19.000 0.327 0.000 0.822 414 A HN 0.425 nan 8.150 nan 0.000 0.443 415 N N 0.360 119.145 118.700 0.142 0.000 2.383 415 N HA -0.002 4.723 4.740 -0.026 0.000 0.192 415 N C -0.375 175.194 175.510 0.097 0.000 1.141 415 N CA 0.384 53.499 53.050 0.110 0.000 0.851 415 N CB -0.134 38.404 38.487 0.085 0.000 0.976 415 N HN 0.481 nan 8.380 nan 0.000 0.465 416 D N 0.733 121.218 120.400 0.143 0.000 2.508 416 D HA 0.119 4.744 4.640 -0.026 0.000 0.224 416 D C -0.643 175.749 176.300 0.152 0.000 1.171 416 D CA 0.216 54.329 54.000 0.188 0.000 1.006 416 D CB -0.057 40.938 40.800 0.324 0.000 1.073 416 D HN -0.076 nan 8.370 nan 0.000 0.513 417 T N 0.336 114.935 114.554 0.076 0.000 2.927 417 T HA 0.085 4.419 4.350 -0.026 0.000 0.350 417 T C 0.815 175.497 174.700 -0.030 0.000 1.746 417 T CA -0.223 61.894 62.100 0.028 0.000 1.081 417 T CB 0.365 69.248 68.868 0.025 0.000 1.551 417 T HN 0.007 nan 8.240 nan 0.000 0.489 418 V N 1.498 121.323 119.914 -0.147 0.000 2.970 418 V HA 0.298 4.402 4.120 -0.026 0.000 0.260 418 V C 0.851 176.762 176.094 -0.304 0.000 1.100 418 V CA 0.806 62.949 62.300 -0.262 0.000 1.122 418 V CB -1.429 30.167 31.823 -0.378 0.000 0.721 418 V HN 0.719 nan 8.190 nan 0.000 0.483 419 Y N 0.913 121.196 120.300 -0.029 0.000 2.344 419 Y HA 0.710 5.243 4.550 -0.027 0.000 0.330 419 Y C 1.209 177.077 175.900 -0.054 0.000 1.330 419 Y CA 0.025 58.099 58.100 -0.042 0.000 1.479 419 Y CB 0.970 39.394 38.460 -0.059 0.000 1.428 419 Y HN 0.074 nan 8.280 nan 0.000 0.544 420 G N 0.305 109.177 108.800 0.119 0.000 4.918 420 G HA2 0.192 4.136 3.960 -0.026 0.000 0.220 420 G HA3 0.192 4.136 3.960 -0.026 0.000 0.220 420 G C -0.555 174.301 174.900 -0.073 0.000 2.090 420 G CA -0.273 44.827 45.100 0.000 0.000 0.632 420 G HN 0.487 nan 8.290 nan 0.000 0.234 421 L N 0.896 122.062 121.223 -0.096 0.000 2.121 421 L HA 0.729 5.053 4.340 -0.026 0.000 0.200 421 L C 1.358 178.043 176.870 -0.309 0.000 1.132 421 L CA 1.937 56.659 54.840 -0.195 0.000 0.782 421 L CB -0.503 41.471 42.059 -0.142 0.000 0.940 421 L HN 0.291 nan 8.230 nan 0.000 0.458 422 G N -1.621 107.040 108.800 -0.232 0.000 2.597 422 G HA2 0.710 4.654 3.960 -0.026 0.000 0.317 422 G HA3 0.710 4.654 3.960 -0.026 0.000 0.317 422 G C -1.710 173.030 174.900 -0.267 0.000 1.230 422 G CA -0.113 44.837 45.100 -0.251 0.000 0.996 422 G HN 0.716 nan 8.290 nan 0.000 0.490 423 A N -1.431 121.188 122.820 -0.335 0.000 2.599 423 A HA 0.897 5.201 4.320 -0.026 0.000 0.294 423 A C -0.807 176.538 177.584 -0.398 0.000 1.055 423 A CA 0.113 51.770 52.037 -0.633 0.000 0.683 423 A CB 1.124 19.206 19.000 -1.529 0.000 1.278 423 A HN 2.329 nan 8.150 nan 0.000 0.412 424 A N 0.306 122.953 122.820 -0.289 0.000 2.486 424 A HA 0.855 5.159 4.320 -0.026 0.000 0.300 424 A C -0.700 177.005 177.584 0.200 0.000 1.048 424 A CA -0.048 52.020 52.037 0.052 0.000 0.696 424 A CB 1.479 20.555 19.000 0.128 0.000 1.278 424 A HN 2.274 nan 8.150 nan 0.000 0.405 425 V N -0.338 119.750 119.914 0.289 0.000 2.588 425 V HA 0.803 4.907 4.120 -0.026 0.000 0.304 425 V C -0.708 175.507 176.094 0.202 0.000 1.042 425 V CA -0.598 61.891 62.300 0.314 0.000 0.877 425 V CB 1.305 33.352 31.823 0.374 0.000 0.996 425 V HN 0.680 nan 8.190 nan 0.000 0.425 426 I N 3.953 124.652 120.570 0.216 0.000 2.411 426 I HA 0.727 4.881 4.170 -0.026 0.000 0.284 426 I C -0.123 176.144 176.117 0.250 0.000 1.012 426 I CA -0.079 61.325 61.300 0.172 0.000 1.119 426 I CB 1.690 39.769 38.000 0.131 0.000 1.261 426 I HN 0.897 nan 8.210 nan 0.000 0.448 427 S N 4.332 120.136 115.700 0.172 0.000 2.535 427 S HA 0.325 4.779 4.470 -0.026 0.000 0.272 427 S C 0.193 174.824 174.600 0.052 0.000 1.149 427 S CA -0.697 57.581 58.200 0.130 0.000 0.888 427 S CB 1.475 64.701 63.200 0.043 0.000 1.110 427 S HN 0.550 nan 8.310 nan 0.000 0.463 428 N N 2.006 120.732 118.700 0.042 0.000 2.289 428 N HA -0.026 4.699 4.740 -0.026 0.000 0.184 428 N C -0.039 175.463 175.510 -0.012 0.000 1.016 428 N CA 0.812 53.875 53.050 0.022 0.000 0.872 428 N CB -0.260 38.243 38.487 0.027 0.000 0.973 428 N HN 0.730 nan 8.380 nan 0.000 0.433 429 D N 0.661 121.033 120.400 -0.047 0.000 2.359 429 D HA 0.015 4.639 4.640 -0.026 0.000 0.250 429 D C 0.918 177.166 176.300 -0.086 0.000 1.264 429 D CA -0.228 53.723 54.000 -0.081 0.000 0.911 429 D CB 0.467 41.186 40.800 -0.135 0.000 1.056 429 D HN -0.132 nan 8.370 nan 0.000 0.499 430 L N 3.687 124.877 121.223 -0.056 0.000 2.156 430 L HA -0.006 4.318 4.340 -0.026 0.000 0.208 430 L C 2.129 178.963 176.870 -0.060 0.000 1.095 430 L CA 1.230 56.043 54.840 -0.046 0.000 0.770 430 L CB -0.348 41.694 42.059 -0.027 0.000 0.914 430 L HN 0.506 nan 8.230 nan 0.000 0.439 431 E N -0.852 119.306 120.200 -0.070 0.000 2.152 431 E HA -0.218 4.117 4.350 -0.026 0.000 0.192 431 E C 2.201 178.738 176.600 -0.105 0.000 0.983 431 E CA 0.608 56.963 56.400 -0.074 0.000 0.818 431 E CB 0.001 29.662 29.700 -0.064 0.000 0.758 431 E HN 0.359 nan 8.360 nan 0.000 0.467 432 R N 0.515 120.925 120.500 -0.149 0.000 2.115 432 R HA -0.089 4.235 4.340 -0.026 0.000 0.226 432 R C 2.260 178.437 176.300 -0.205 0.000 1.100 432 R CA 1.201 57.161 56.100 -0.233 0.000 0.980 432 R CB -0.262 29.806 30.300 -0.387 0.000 0.875 432 R HN 0.134 nan 8.270 nan 0.000 0.445 433 C N 0.588 119.807 119.300 -0.133 0.000 2.436 433 C HA -0.092 4.352 4.460 -0.026 0.000 0.277 433 C C 2.512 177.473 174.990 -0.048 0.000 1.241 433 C CA 1.226 60.211 59.018 -0.055 0.000 1.721 433 C CB -0.778 26.951 27.740 -0.018 0.000 2.043 433 C HN 0.651 nan 8.230 nan 0.000 0.472 434 E N 0.433 120.599 120.200 -0.057 0.000 2.077 434 E HA -0.209 4.125 4.350 -0.026 0.000 0.193 434 E C 2.385 178.941 176.600 -0.074 0.000 0.989 434 E CA 1.107 57.475 56.400 -0.052 0.000 0.800 434 E CB -0.132 29.539 29.700 -0.048 0.000 0.746 434 E HN 0.509 nan 8.360 nan 0.000 0.452 435 R N -0.149 120.292 120.500 -0.097 0.000 2.070 435 R HA -0.132 4.193 4.340 -0.026 0.000 0.233 435 R C 2.443 178.648 176.300 -0.159 0.000 1.137 435 R CA 1.682 57.714 56.100 -0.113 0.000 0.945 435 R CB -0.269 29.962 30.300 -0.115 0.000 0.845 435 R HN 0.147 nan 8.270 nan 0.000 0.430 436 V N 0.321 120.113 119.914 -0.204 0.000 2.427 436 V HA -0.218 3.886 4.120 -0.026 0.000 0.248 436 V C 2.157 177.946 176.094 -0.509 0.000 1.051 436 V CA 2.052 64.114 62.300 -0.396 0.000 1.048 436 V CB -0.653 30.962 31.823 -0.346 0.000 0.666 436 V HN 0.413 nan 8.190 nan 0.000 0.456 437 T N 0.124 114.580 114.554 -0.165 0.000 2.635 437 T HA -0.264 4.070 4.350 -0.026 0.000 0.267 437 T C 1.961 176.666 174.700 0.009 0.000 1.040 437 T CA 1.956 64.086 62.100 0.049 0.000 1.156 437 T CB -0.273 68.621 68.868 0.042 0.000 0.863 437 T HN 0.485 nan 8.240 nan 0.000 0.430 438 K N 1.066 121.433 120.400 -0.056 0.000 2.063 438 K HA 0.012 4.316 4.320 -0.026 0.000 0.208 438 K C 2.556 179.121 176.600 -0.058 0.000 1.048 438 K CA 1.239 57.496 56.287 -0.049 0.000 0.928 438 K CB -0.269 32.198 32.500 -0.055 0.000 0.713 438 K HN 0.292 nan 8.250 nan 0.000 0.442 439 A N 0.940 123.682 122.820 -0.131 0.000 2.015 439 A HA -0.048 4.256 4.320 -0.026 0.000 0.219 439 A C 0.396 177.933 177.584 -0.079 0.000 1.163 439 A CA 0.509 52.464 52.037 -0.137 0.000 0.646 439 A CB -0.396 18.479 19.000 -0.209 0.000 0.806 439 A HN 0.102 nan 8.150 nan 0.000 0.448 440 F N 1.203 121.127 119.950 -0.043 0.000 2.578 440 F HA 0.127 4.638 4.527 -0.027 0.000 0.381 440 F C 0.914 176.677 175.800 -0.062 0.000 1.069 440 F CA 0.109 58.078 58.000 -0.053 0.000 1.231 440 F CB 0.464 39.423 39.000 -0.068 0.000 1.086 440 F HN 0.049 nan 8.300 nan 0.000 0.564 441 K N 3.951 124.458 120.400 0.177 0.000 2.229 441 K HA 0.640 4.944 4.320 -0.026 0.000 0.247 441 K C -0.426 176.177 176.600 0.005 0.000 1.117 441 K CA -0.215 56.108 56.287 0.060 0.000 1.036 441 K CB 0.390 32.914 32.500 0.040 0.000 1.654 441 K HN 0.635 nan 8.250 nan 0.000 0.405 442 A N 0.099 122.891 122.820 -0.047 0.000 2.606 442 A HA 0.609 4.914 4.320 -0.026 0.000 0.293 442 A C 0.687 178.147 177.584 -0.206 0.000 1.082 442 A CA -0.628 51.316 52.037 -0.155 0.000 0.685 442 A CB 1.317 20.163 19.000 -0.258 0.000 1.284 442 A HN 0.505 nan 8.150 nan 0.000 0.408 443 G N -0.335 108.293 108.800 -0.286 0.000 2.539 443 G HA2 0.374 4.318 3.960 -0.026 0.000 0.215 443 G HA3 0.374 4.318 3.960 -0.026 0.000 0.215 443 G C 0.237 174.854 174.900 -0.472 0.000 1.141 443 G CA 0.681 45.575 45.100 -0.343 0.000 0.806 443 G HN 0.563 nan 8.290 nan 0.000 0.533 444 I N 0.878 121.084 120.570 -0.607 0.000 2.436 444 I HA 0.424 4.578 4.170 -0.026 0.000 0.289 444 I C -1.084 174.529 176.117 -0.840 0.000 1.010 444 I CA -0.869 59.928 61.300 -0.839 0.000 1.098 444 I CB 2.735 39.986 38.000 -1.248 0.000 1.266 444 I HN -0.284 nan 8.210 nan 0.000 0.434 445 V N 4.786 124.265 119.914 -0.725 0.000 2.540 445 V HA 0.426 4.531 4.120 -0.026 0.000 0.302 445 V C -0.896 174.904 176.094 -0.490 0.000 1.035 445 V CA -0.608 61.386 62.300 -0.510 0.000 0.873 445 V CB 2.010 33.731 31.823 -0.171 0.000 0.992 445 V HN 0.593 nan 8.190 nan 0.000 0.428 446 W N 3.127 124.349 121.300 -0.130 0.000 2.478 446 W HA 0.654 5.299 4.660 -0.024 0.000 0.318 446 W C -0.797 175.662 176.519 -0.100 0.000 1.062 446 W CA -0.688 56.584 57.345 -0.121 0.000 1.210 446 W CB 2.045 31.406 29.460 -0.166 0.000 1.325 446 W HN 0.281 nan 8.180 nan 0.000 0.496 447 V N 4.837 124.811 119.914 0.099 0.000 2.384 447 V HA 0.128 4.232 4.120 -0.026 0.000 0.287 447 V C 0.275 176.344 176.094 -0.042 0.000 1.020 447 V CA -0.715 61.612 62.300 0.045 0.000 0.850 447 V CB 1.065 32.907 31.823 0.032 0.000 0.987 447 V HN 0.670 nan 8.190 nan 0.000 0.436 448 N N 2.288 120.950 118.700 -0.063 0.000 2.747 448 N HA -0.173 4.552 4.740 -0.026 0.000 0.249 448 N C -0.288 174.911 175.510 -0.517 0.000 1.107 448 N CA 1.242 54.206 53.050 -0.143 0.000 0.707 448 N CB -1.119 37.346 38.487 -0.038 0.000 1.054 448 N HN 1.056 nan 8.380 nan 0.000 0.555 449 C N -4.627 114.229 119.300 -0.739 0.000 3.253 449 C HA 0.843 5.288 4.460 -0.026 0.000 0.362 449 C C -0.399 174.066 174.990 -0.875 0.000 1.487 449 C CA -0.541 57.444 59.018 -1.721 0.000 1.179 449 C CB 1.985 28.637 27.740 -1.813 0.000 1.660 449 C HN 0.367 nan 8.230 nan 0.000 0.438 450 S N 0.347 115.508 115.700 -0.898 0.000 2.626 450 S HA 0.582 5.036 4.470 -0.026 0.000 0.275 450 S C -0.357 173.761 174.600 -0.803 0.000 1.175 450 S CA 0.255 58.055 58.200 -0.667 0.000 0.982 450 S CB 0.830 63.899 63.200 -0.218 0.000 1.093 450 S HN 1.281 nan 8.310 nan 0.000 0.472 451 Q N -0.159 118.462 119.800 -1.964 0.000 3.689 451 Q HA -0.084 4.240 4.340 -0.026 0.000 0.191 451 Q C -2.481 173.284 176.000 -0.391 0.000 0.765 451 Q CA 0.909 56.024 55.803 -1.146 0.000 1.068 451 Q CB -2.927 25.606 28.738 -0.341 0.000 0.826 451 Q HN 0.600 nan 8.270 nan 0.000 1.104 452 P HA 0.094 nan 4.420 nan 0.000 0.263 452 P C -0.269 177.191 177.300 0.267 0.000 1.195 452 P CA 0.311 63.401 63.100 -0.016 0.000 0.762 452 P CB 0.445 32.183 31.700 0.064 0.000 0.799 453 C N 6.557 125.844 119.300 -0.023 0.000 2.322 453 C HA 0.583 5.027 4.460 -0.026 0.000 0.324 453 C C -0.921 173.957 174.990 -0.186 0.000 1.249 453 C CA -0.680 58.385 59.018 0.078 0.000 1.453 453 C CB -1.398 26.325 27.740 -0.028 0.000 2.145 453 C HN 0.419 nan 8.230 nan 0.000 0.466 454 F N 4.357 124.345 119.950 0.063 0.000 2.443 454 F HA 0.339 4.850 4.527 -0.027 0.000 0.335 454 F C 1.743 177.439 175.800 -0.173 0.000 1.104 454 F CA -0.249 57.737 58.000 -0.023 0.000 1.013 454 F CB 1.798 40.797 39.000 -0.002 0.000 1.136 454 F HN 0.573 nan 8.300 nan 0.000 0.470 455 T N 0.464 114.962 114.554 -0.093 0.000 2.803 455 T HA -0.226 4.108 4.350 -0.026 0.000 0.269 455 T C 1.725 176.077 174.700 -0.579 0.000 1.052 455 T CA 1.478 63.341 62.100 -0.394 0.000 1.136 455 T CB -0.174 68.436 68.868 -0.430 0.000 0.864 455 T HN 0.527 nan 8.240 nan 0.000 0.467 456 Q N 0.783 120.318 119.800 -0.440 0.000 2.291 456 Q HA 0.216 4.540 4.340 -0.026 0.000 0.206 456 Q C 0.841 176.787 176.000 -0.091 0.000 0.976 456 Q CA 0.806 56.400 55.803 -0.348 0.000 0.875 456 Q CB -0.186 28.473 28.738 -0.131 0.000 0.927 456 Q HN 0.586 nan 8.270 nan 0.000 0.450 457 A N 1.234 124.024 122.820 -0.050 0.000 2.337 457 A HA 0.571 4.875 4.320 -0.026 0.000 0.329 457 A C -2.486 175.073 177.584 -0.041 0.000 1.146 457 A CA -1.938 50.094 52.037 -0.007 0.000 0.800 457 A CB 0.605 19.606 19.000 0.002 0.000 1.220 457 A HN -0.069 nan 8.150 nan 0.000 0.472 458 P HA 0.046 nan 4.420 nan 0.000 0.268 458 P C -0.901 176.283 177.300 -0.193 0.000 1.204 458 P CA 0.191 63.111 63.100 -0.301 0.000 0.768 458 P CB 0.512 31.613 31.700 -0.999 0.000 0.842 459 W N 3.994 125.107 121.300 -0.311 0.000 2.619 459 W HA 0.560 5.204 4.660 -0.028 0.000 0.327 459 W C -0.833 175.581 176.519 -0.174 0.000 1.027 459 W CA 0.061 57.260 57.345 -0.242 0.000 1.233 459 W CB 2.429 31.730 29.460 -0.266 0.000 1.370 459 W HN 0.706 nan 8.180 nan 0.000 0.453 460 G N 1.993 110.482 108.800 -0.519 0.000 2.325 460 G HA2 0.423 4.367 3.960 -0.026 0.000 0.297 460 G HA3 0.423 4.367 3.960 -0.026 0.000 0.297 460 G C -1.474 173.217 174.900 -0.348 0.000 1.448 460 G CA -0.246 44.668 45.100 -0.309 0.000 0.838 460 G HN 0.696 nan 8.290 nan 0.000 0.579 461 G N -1.601 107.081 108.800 -0.197 0.000 2.537 461 G HA2 0.936 4.881 3.960 -0.026 0.000 0.323 461 G HA3 0.936 4.881 3.960 -0.026 0.000 0.323 461 G C 0.010 174.868 174.900 -0.070 0.000 1.207 461 G CA 0.117 45.125 45.100 -0.154 0.000 0.976 461 G HN 1.834 nan 8.290 nan 0.000 0.487 462 V N -2.293 117.590 119.914 -0.051 0.000 3.229 462 V HA 0.808 4.913 4.120 -0.026 0.000 0.310 462 V C 0.902 177.010 176.094 0.023 0.000 1.206 462 V CA -0.519 61.777 62.300 -0.006 0.000 1.051 462 V CB 0.969 32.774 31.823 -0.029 0.000 1.183 462 V HN 1.027 nan 8.190 nan 0.000 0.466 463 K N -0.866 119.549 120.400 0.025 0.000 1.824 463 K HA -0.319 3.986 4.320 -0.026 0.000 0.120 463 K C 1.305 177.926 176.600 0.035 0.000 1.268 463 K CA 2.218 58.514 56.287 0.016 0.000 0.420 463 K CB -0.920 31.576 32.500 -0.007 0.000 0.586 463 K HN 0.803 nan 8.250 nan 0.000 0.907 464 R N 0.823 121.322 120.500 -0.002 0.000 2.335 464 R HA 0.169 4.493 4.340 -0.026 0.000 0.223 464 R C 0.410 176.817 176.300 0.178 0.000 0.940 464 R CA 0.751 56.855 56.100 0.007 0.000 1.086 464 R CB 0.245 30.404 30.300 -0.235 0.000 1.073 464 R HN 0.333 nan 8.270 nan 0.000 0.504 465 S N -0.270 115.530 115.700 0.166 0.000 2.614 465 S HA 0.365 4.820 4.470 -0.026 0.000 0.230 465 S C 0.360 174.984 174.600 0.041 0.000 0.952 465 S CA 0.271 58.553 58.200 0.136 0.000 0.949 465 S CB 0.706 63.952 63.200 0.077 0.000 0.786 465 S HN 0.660 nan 8.310 nan 0.000 0.478 466 G N 1.741 110.566 108.800 0.042 0.000 2.660 466 G HA2 -0.046 3.899 3.960 -0.026 0.000 0.247 466 G HA3 -0.046 3.899 3.960 -0.026 0.000 0.247 466 G C -0.822 174.080 174.900 0.003 0.000 1.328 466 G CA -0.444 44.600 45.100 -0.093 0.000 0.884 466 G HN 0.624 nan 8.290 nan 0.000 0.531 467 F N -2.234 117.734 119.950 0.030 0.000 2.662 467 F HA 0.848 5.371 4.527 -0.007 0.000 0.312 467 F C 0.591 176.401 175.800 0.018 0.000 1.113 467 F CA -0.305 57.700 58.000 0.009 0.000 0.951 467 F CB 1.383 40.388 39.000 0.009 0.000 1.344 467 F HN 2.504 nan 8.300 nan 0.000 0.462 468 G N 1.485 110.434 108.800 0.248 0.000 2.705 468 G HA2 0.174 4.118 3.960 -0.026 0.000 0.686 468 G HA3 0.174 4.118 3.960 -0.026 0.000 0.686 468 G C -1.653 173.281 174.900 0.056 0.000 1.285 468 G CA -1.253 43.943 45.100 0.160 0.000 0.800 468 G HN 0.777 nan 8.290 nan 0.000 0.611 469 R N 0.965 121.498 120.500 0.055 0.000 2.562 469 R HA 0.550 4.874 4.340 -0.026 0.000 0.298 469 R C 0.393 176.753 176.300 0.100 0.000 0.961 469 R CA -0.609 55.484 56.100 -0.010 0.000 0.881 469 R CB 1.709 31.858 30.300 -0.253 0.000 1.159 469 R HN 0.781 nan 8.270 nan 0.000 0.450 470 E N 1.784 122.047 120.200 0.106 0.000 2.259 470 E HA 0.577 4.912 4.350 -0.026 0.000 0.257 470 E C -0.161 176.468 176.600 0.048 0.000 0.998 470 E CA -0.939 55.528 56.400 0.111 0.000 0.866 470 E CB 1.159 30.928 29.700 0.114 0.000 1.220 470 E HN 0.275 nan 8.360 nan 0.000 0.415 471 L N -0.621 120.610 121.223 0.013 0.000 0.585 471 L HA -0.298 4.027 4.340 -0.026 0.000 0.356 471 L C 0.760 177.755 176.870 0.209 0.000 0.973 471 L CA 0.755 55.583 54.840 -0.019 0.000 1.223 471 L CB -1.553 40.271 42.059 -0.391 0.000 0.012 471 L HN 1.015 nan 8.230 nan 0.000 0.091 472 G N 0.291 109.167 108.800 0.127 0.000 2.569 472 G HA2 -0.299 3.645 3.960 -0.026 0.000 0.259 472 G HA3 -0.299 3.645 3.960 -0.026 0.000 0.259 472 G C 0.354 175.527 174.900 0.455 0.000 1.263 472 G CA 0.799 46.077 45.100 0.297 0.000 0.928 472 G HN 0.946 nan 8.290 nan 0.000 0.572 473 E N -0.503 119.903 120.200 0.342 0.000 2.208 473 E HA -0.011 4.323 4.350 -0.026 0.000 0.193 473 E C 2.222 178.883 176.600 0.102 0.000 0.988 473 E CA 1.265 57.735 56.400 0.117 0.000 0.828 473 E CB -0.076 29.536 29.700 -0.147 0.000 0.763 473 E HN 0.523 nan 8.360 nan 0.000 0.478 474 W N 0.269 121.640 121.300 0.119 0.000 2.338 474 W HA -0.128 4.511 4.660 -0.035 0.000 0.304 474 W C 2.219 178.805 176.519 0.111 0.000 1.212 474 W CA 1.171 58.568 57.345 0.087 0.000 1.264 474 W CB -0.777 28.716 29.460 0.054 0.000 1.142 474 W HN 0.249 nan 8.180 nan 0.000 0.512 475 G N 0.806 109.861 108.800 0.425 0.000 2.446 475 G HA2 -0.288 3.657 3.960 -0.026 0.000 0.217 475 G HA3 -0.288 3.657 3.960 -0.026 0.000 0.217 475 G C 1.435 176.506 174.900 0.286 0.000 1.168 475 G CA 1.112 46.413 45.100 0.334 0.000 0.771 475 G HN 0.165 nan 8.290 nan 0.000 0.551 476 L N 0.887 122.330 121.223 0.366 0.000 2.046 476 L HA 0.002 4.327 4.340 -0.026 0.000 0.208 476 L C 2.014 178.992 176.870 0.179 0.000 1.077 476 L CA 2.102 57.106 54.840 0.273 0.000 0.747 476 L CB -0.491 41.742 42.059 0.290 0.000 0.896 476 L HN 0.086 nan 8.230 nan 0.000 0.432 477 D N -0.575 119.890 120.400 0.108 0.000 2.264 477 D HA -0.148 4.476 4.640 -0.026 0.000 0.208 477 D C 1.787 178.091 176.300 0.006 0.000 0.966 477 D CA 1.003 55.023 54.000 0.033 0.000 0.864 477 D CB -0.358 40.420 40.800 -0.037 0.000 0.933 477 D HN 0.535 nan 8.370 nan 0.000 0.499 478 N N -0.895 117.783 118.700 -0.038 0.000 2.453 478 N HA -0.122 4.602 4.740 -0.026 0.000 0.183 478 N C 0.444 175.674 175.510 -0.467 0.000 1.041 478 N CA 0.518 53.410 53.050 -0.263 0.000 0.900 478 N CB 0.068 38.301 38.487 -0.424 0.000 0.961 478 N HN 0.297 nan 8.380 nan 0.000 0.443 479 Y N -0.168 120.160 120.300 0.047 0.000 2.612 479 Y HA 0.362 4.901 4.550 -0.017 0.000 0.250 479 Y C -0.351 175.570 175.900 0.035 0.000 1.175 479 Y CA -0.422 57.702 58.100 0.040 0.000 1.205 479 Y CB 0.634 39.112 38.460 0.029 0.000 1.201 479 Y HN -0.117 nan 8.280 nan 0.000 0.532 480 L N 0.947 122.235 121.223 0.108 0.000 2.322 480 L HA 0.475 4.800 4.340 -0.026 0.000 0.281 480 L C -0.039 176.856 176.870 0.041 0.000 1.014 480 L CA -0.901 53.982 54.840 0.072 0.000 0.815 480 L CB 1.773 43.863 42.059 0.051 0.000 1.247 480 L HN -0.007 nan 8.230 nan 0.000 0.421 481 S N 1.870 117.594 115.700 0.040 0.000 2.508 481 S HA 0.636 5.091 4.470 -0.026 0.000 0.284 481 S C -0.334 174.276 174.600 0.017 0.000 1.192 481 S CA -0.847 57.368 58.200 0.025 0.000 1.070 481 S CB 1.769 64.985 63.200 0.028 0.000 1.004 481 S HN 0.240 nan 8.310 nan 0.000 0.493 482 V N 3.114 123.032 119.914 0.007 0.000 2.461 482 V HA 0.423 4.528 4.120 -0.026 0.000 0.275 482 V C 0.311 176.403 176.094 -0.002 0.000 1.047 482 V CA -0.405 61.895 62.300 0.002 0.000 0.955 482 V CB 0.981 32.800 31.823 -0.006 0.000 0.988 482 V HN 0.945 nan 8.190 nan 0.000 0.471 483 K N 4.609 125.008 120.400 -0.002 0.000 2.450 483 K HA 0.372 4.676 4.320 -0.026 0.000 0.257 483 K C -0.386 176.194 176.600 -0.033 0.000 0.953 483 K CA -0.548 55.731 56.287 -0.013 0.000 0.844 483 K CB 1.379 33.878 32.500 -0.003 0.000 1.103 483 K HN 0.804 nan 8.250 nan 0.000 0.429 484 Q N 3.553 123.321 119.800 -0.054 0.000 2.286 484 Q HA 0.236 4.560 4.340 -0.026 0.000 0.257 484 Q C -1.272 174.647 176.000 -0.136 0.000 0.941 484 Q CA -0.487 55.264 55.803 -0.088 0.000 0.912 484 Q CB 1.176 29.869 28.738 -0.076 0.000 1.192 484 Q HN 0.362 nan 8.270 nan 0.000 0.410 485 V N 4.302 124.066 119.914 -0.251 0.000 2.349 485 V HA 0.322 4.426 4.120 -0.026 0.000 0.284 485 V C -0.570 175.356 176.094 -0.281 0.000 1.014 485 V CA -0.636 61.473 62.300 -0.318 0.000 0.826 485 V CB 1.625 33.125 31.823 -0.539 0.000 1.009 485 V HN 0.827 nan 8.190 nan 0.000 0.431 486 T N 5.062 119.540 114.554 -0.126 0.000 2.779 486 T HA 0.495 4.830 4.350 -0.026 0.000 0.280 486 T C -0.565 174.178 174.700 0.073 0.000 0.987 486 T CA -0.359 61.725 62.100 -0.027 0.000 0.966 486 T CB 1.573 70.413 68.868 -0.047 0.000 0.933 486 T HN 0.703 nan 8.240 nan 0.000 0.442 487 Q N 2.578 122.471 119.800 0.155 0.000 2.330 487 Q HA 0.351 4.675 4.340 -0.026 0.000 0.269 487 Q C -1.616 174.503 176.000 0.199 0.000 1.022 487 Q CA -0.869 55.026 55.803 0.154 0.000 0.796 487 Q CB 1.322 30.110 28.738 0.083 0.000 1.271 487 Q HN 0.694 nan 8.270 nan 0.000 0.450 488 Y N 5.478 125.746 120.300 -0.053 0.000 2.480 488 Y HA 0.143 4.678 4.550 -0.026 0.000 0.341 488 Y C 0.503 176.254 175.900 -0.248 0.000 1.031 488 Y CA 0.067 57.926 58.100 -0.402 0.000 1.295 488 Y CB 0.444 38.678 38.460 -0.376 0.000 1.162 488 Y HN 0.695 nan 8.280 nan 0.000 0.523 489 I N 1.127 121.364 120.570 -0.555 0.000 4.154 489 I HA 0.329 4.484 4.170 -0.026 0.000 0.334 489 I C 0.471 176.289 176.117 -0.497 0.000 1.371 489 I CA -0.241 60.828 61.300 -0.384 0.000 1.110 489 I CB 0.278 38.161 38.000 -0.195 0.000 1.085 489 I HN 0.407 nan 8.210 nan 0.000 0.398 490 S N 1.450 116.595 115.700 -0.926 0.000 2.565 490 S HA 0.218 4.673 4.470 -0.026 0.000 0.276 490 S C 0.859 175.166 174.600 -0.488 0.000 1.326 490 S CA -0.182 57.604 58.200 -0.689 0.000 1.045 490 S CB 0.950 63.705 63.200 -0.742 0.000 0.918 490 S HN 0.426 nan 8.310 nan 0.000 0.505 491 E N 1.311 121.383 120.200 -0.214 0.000 2.478 491 E HA 0.073 4.407 4.350 -0.026 0.000 0.194 491 E C -0.210 176.392 176.600 0.003 0.000 1.045 491 E CA 0.050 56.399 56.400 -0.085 0.000 0.868 491 E CB 0.255 29.923 29.700 -0.054 0.000 0.885 491 E HN 0.540 nan 8.360 nan 0.000 0.505 492 E N 1.586 121.797 120.200 0.017 0.000 2.383 492 E HA 0.107 4.441 4.350 -0.026 0.000 0.264 492 E C -2.336 174.413 176.600 0.248 0.000 1.050 492 E CA -2.123 54.344 56.400 0.112 0.000 0.896 492 E CB 0.313 30.078 29.700 0.108 0.000 0.982 492 E HN -0.079 nan 8.360 nan 0.000 0.424 493 P HA -0.042 nan 4.420 nan 0.000 0.272 493 P C 0.491 178.013 177.300 0.370 0.000 1.223 493 P CA -0.179 63.085 63.100 0.273 0.000 0.784 493 P CB 0.408 32.220 31.700 0.187 0.000 0.923 494 W N 2.864 124.234 121.300 0.117 0.000 2.321 494 W HA -0.205 4.439 4.660 -0.026 0.000 0.306 494 W C 0.926 177.536 176.519 0.151 0.000 1.217 494 W CA 1.379 58.765 57.345 0.068 0.000 1.257 494 W CB -0.339 29.119 29.460 -0.004 0.000 1.145 494 W HN 0.683 nan 8.180 nan 0.000 0.509 495 G N -0.143 108.758 108.800 0.169 0.000 2.198 495 G HA2 -0.359 3.586 3.960 -0.026 0.000 0.257 495 G HA3 -0.359 3.586 3.960 -0.026 0.000 0.257 495 G C 0.152 174.996 174.900 -0.093 0.000 1.042 495 G CA 0.200 45.314 45.100 0.024 0.000 0.791 495 G HN 0.599 nan 8.290 nan 0.000 0.502 496 W N -0.616 120.499 121.300 -0.309 0.000 2.630 496 W HA 0.331 4.979 4.660 -0.020 0.000 0.275 496 W C -0.012 176.304 176.519 -0.339 0.000 1.192 496 W CA 0.504 57.584 57.345 -0.442 0.000 1.410 496 W CB 0.456 29.545 29.460 -0.618 0.000 1.075 496 W HN 0.176 nan 8.180 nan 0.000 0.581 497 Y N 2.363 122.712 120.300 0.081 0.000 2.376 497 Y HA 0.236 4.769 4.550 -0.027 0.000 0.325 497 Y C 0.721 176.604 175.900 -0.027 0.000 1.199 497 Y CA -0.248 57.856 58.100 0.007 0.000 1.206 497 Y CB 0.447 38.992 38.460 0.142 0.000 1.229 497 Y HN -0.266 nan 8.280 nan 0.000 0.480 498 Q N 3.729 123.598 119.800 0.115 0.000 2.286 498 Q HA 0.201 4.526 4.340 -0.026 0.000 0.267 498 Q C -2.201 173.845 176.000 0.077 0.000 1.028 498 Q CA -1.549 54.285 55.803 0.052 0.000 0.901 498 Q CB 0.619 29.363 28.738 0.010 0.000 1.183 498 Q HN 0.427 nan 8.270 nan 0.000 0.392 499 P HA 0.227 nan 4.420 nan 0.000 0.271 499 P C -2.409 174.912 177.300 0.036 0.000 1.218 499 P CA -1.163 61.972 63.100 0.057 0.000 0.780 499 P CB -0.282 31.450 31.700 0.053 0.000 0.901 500 P HA 0.167 nan 4.420 nan 0.000 0.264 500 P C -0.407 176.904 177.300 0.018 0.000 1.193 500 P CA -0.048 63.064 63.100 0.020 0.000 0.763 500 P CB 0.193 31.903 31.700 0.017 0.000 0.810 501 A N 3.859 126.686 122.820 0.013 0.000 2.531 501 A HA 0.090 4.395 4.320 -0.026 0.000 0.236 501 A C 0.575 178.165 177.584 0.011 0.000 1.062 501 A CA -0.265 51.778 52.037 0.010 0.000 0.760 501 A CB -0.203 18.800 19.000 0.006 0.000 0.995 501 A HN 0.622 nan 8.150 nan 0.000 0.501 502 K N 2.587 122.993 120.400 0.011 0.000 2.363 502 K HA 0.415 4.719 4.320 -0.026 0.000 0.289 502 K C -0.766 175.839 176.600 0.008 0.000 1.063 502 K CA -0.445 55.848 56.287 0.010 0.000 0.967 502 K CB -0.263 32.244 32.500 0.011 0.000 0.987 502 K HN 0.473 nan 8.250 nan 0.000 0.473 503 L N 0.000 121.227 121.223 0.007 0.000 2.949 503 L HA 0.000 4.324 4.340 -0.026 0.000 0.249 503 L CA 0.000 54.843 54.840 0.005 0.000 0.813 503 L CB 0.000 42.062 42.059 0.005 0.000 0.961 503 L HN 0.000 nan 8.230 nan 0.000 0.502