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 3hk5_1_A DATA FIRST_RESID 5 DATA SEQUENCE SREVLAEKVK NAVNNQPVTD MHTHLFSPNF GEILLWDIDE LLTYHYLVAE DATA SEQUENCE VMRWTDVSIE AFWAMSKREQ ADLIWEELFI KRSPVSEACR GVLTCLQGLG DATA SEQUENCE LDPATRDLQV YREYFAKKTS EEQVDTVLQL ANVSDVVMTN DPFDDNERIS DATA SEQUENCE WLEGKQPDSR FHAALRLDPL LNEYEQTKHR LRDWGYKVND EWNEGSIQEV DATA SEQUENCE KRFLTDWIER MDPVYMAVSL PPTFSFPEES NRGRIIRDCL LPVAEKHNIP DATA SEQUENCE FAMMIGVKKR VHPALGDAGD FVGKASMDGV EHLLREYPNN KFLVTMLSRE DATA SEQUENCE NQHELVVLAR KFSNLMIFGC WWFMNNPEII NEMTRMRMEM LGTSFIPQHS DATA SEQUENCE DARVLEQLIY KWHHSKSIIA EVLIDKYDDI LQAGWEVTEE EIKRDVADLF DATA SEQUENCE SRNFWRFVGR 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.621 174.600 0.035 0.000 1.055 5 S CA 0.000 58.216 58.200 0.027 0.000 1.107 5 S CB 0.000 63.213 63.200 0.022 0.000 0.593 6 R N 0.244 120.768 120.500 0.040 0.000 2.090 6 R HA 0.037 4.385 4.340 0.013 0.000 0.228 6 R C 1.347 177.673 176.300 0.044 0.000 1.110 6 R CA 1.407 57.536 56.100 0.049 0.000 0.973 6 R CB -0.230 30.101 30.300 0.050 0.000 0.869 6 R HN 0.680 nan 8.270 nan 0.000 0.440 7 E N 0.064 120.284 120.200 0.035 0.000 2.208 7 E HA -0.101 4.257 4.350 0.013 0.000 0.193 7 E C 1.955 178.571 176.600 0.026 0.000 0.988 7 E CA 0.823 57.241 56.400 0.031 0.000 0.828 7 E CB 0.031 29.747 29.700 0.025 0.000 0.763 7 E HN 0.185 nan 8.360 nan 0.000 0.478 8 V N 1.256 121.182 119.914 0.021 0.000 2.379 8 V HA -0.209 3.919 4.120 0.013 0.000 0.245 8 V C 2.429 178.530 176.094 0.012 0.000 1.044 8 V CA 1.296 63.604 62.300 0.013 0.000 1.036 8 V CB -0.498 31.330 31.823 0.008 0.000 0.664 8 V HN 0.177 nan 8.190 nan 0.000 0.453 9 L N 1.085 122.320 121.223 0.020 0.000 2.046 9 L HA -0.059 4.289 4.340 0.013 0.000 0.208 9 L C 2.481 179.375 176.870 0.039 0.000 1.077 9 L CA 2.333 57.185 54.840 0.020 0.000 0.747 9 L CB -0.941 41.146 42.059 0.046 0.000 0.896 9 L HN 0.202 nan 8.230 nan 0.000 0.432 10 A N -0.598 122.254 122.820 0.052 0.000 1.892 10 A HA -0.229 4.099 4.320 0.013 0.000 0.218 10 A C 2.163 179.774 177.584 0.044 0.000 1.188 10 A CA 1.948 54.020 52.037 0.060 0.000 0.631 10 A CB -0.698 18.333 19.000 0.052 0.000 0.822 10 A HN 0.561 nan 8.150 nan 0.000 0.447 11 E N 0.119 120.336 120.200 0.029 0.000 2.110 11 E HA -0.163 4.195 4.350 0.013 0.000 0.193 11 E C 1.989 178.596 176.600 0.012 0.000 0.988 11 E CA 1.416 57.828 56.400 0.019 0.000 0.804 11 E CB -0.324 29.383 29.700 0.012 0.000 0.745 11 E HN 0.714 nan 8.360 nan 0.000 0.458 12 K N 0.324 120.728 120.400 0.007 0.000 2.057 12 K HA -0.050 4.278 4.320 0.013 0.000 0.206 12 K C 2.269 178.874 176.600 0.008 0.000 1.050 12 K CA 0.972 57.255 56.287 -0.006 0.000 0.935 12 K CB -0.079 32.402 32.500 -0.030 0.000 0.715 12 K HN -0.067 nan 8.250 nan 0.000 0.439 13 V N 1.996 121.932 119.914 0.037 0.000 2.307 13 V HA -0.245 3.883 4.120 0.013 0.000 0.245 13 V C 2.035 178.170 176.094 0.069 0.000 1.045 13 V CA 1.707 64.062 62.300 0.092 0.000 1.024 13 V CB -0.361 31.564 31.823 0.171 0.000 0.651 13 V HN 0.277 nan 8.190 nan 0.000 0.449 14 K N 0.207 120.636 120.400 0.049 0.000 2.057 14 K HA -0.189 4.139 4.320 0.013 0.000 0.207 14 K C 1.968 178.565 176.600 -0.006 0.000 1.049 14 K CA 1.935 58.236 56.287 0.023 0.000 0.931 14 K CB -0.365 32.147 32.500 0.020 0.000 0.714 14 K HN 0.575 nan 8.250 nan 0.000 0.440 15 N N 0.491 119.188 118.700 -0.004 0.000 2.084 15 N HA -0.165 4.583 4.740 0.013 0.000 0.190 15 N C 1.947 177.438 175.510 -0.032 0.000 1.030 15 N CA 0.888 53.927 53.050 -0.019 0.000 0.849 15 N CB -0.138 38.342 38.487 -0.013 0.000 1.012 15 N HN 0.178 nan 8.380 nan 0.000 0.423 16 A N 0.938 123.748 122.820 -0.016 0.000 1.883 16 A HA -0.112 4.216 4.320 0.013 0.000 0.217 16 A C 2.434 179.980 177.584 -0.064 0.000 1.186 16 A CA 1.258 53.284 52.037 -0.019 0.000 0.624 16 A CB -0.851 18.161 19.000 0.021 0.000 0.822 16 A HN 0.109 nan 8.150 nan 0.000 0.444 17 V N 0.985 120.861 119.914 -0.064 0.000 2.295 17 V HA -0.256 3.872 4.120 0.013 0.000 0.246 17 V C 2.280 178.208 176.094 -0.276 0.000 1.049 17 V CA 2.165 64.353 62.300 -0.187 0.000 1.024 17 V CB -0.925 30.856 31.823 -0.070 0.000 0.648 17 V HN 0.563 nan 8.190 nan 0.000 0.447 18 N N 0.721 119.325 118.700 -0.160 0.000 2.188 18 N HA -0.103 4.645 4.740 0.013 0.000 0.184 18 N C 1.544 176.965 175.510 -0.147 0.000 1.018 18 N CA 1.179 54.140 53.050 -0.148 0.000 0.858 18 N CB -0.437 37.995 38.487 -0.091 0.000 0.989 18 N HN 0.499 nan 8.380 nan 0.000 0.426 19 N N 0.746 119.372 118.700 -0.124 0.000 2.446 19 N HA -0.069 4.678 4.740 0.013 0.000 0.179 19 N C 0.425 175.858 175.510 -0.128 0.000 1.054 19 N CA 0.178 53.165 53.050 -0.104 0.000 0.905 19 N CB -0.105 38.342 38.487 -0.068 0.000 0.973 19 N HN 0.264 nan 8.380 nan 0.000 0.448 20 Q N 2.575 122.267 119.800 -0.179 0.000 2.262 20 Q HA 0.162 4.510 4.340 0.013 0.000 0.272 20 Q C -2.579 173.293 176.000 -0.214 0.000 1.076 20 Q CA -1.482 54.213 55.803 -0.180 0.000 0.905 20 Q CB 0.629 29.234 28.738 -0.223 0.000 1.182 20 Q HN 0.031 nan 8.270 nan 0.000 0.390 21 P HA 0.012 nan 4.420 nan 0.000 0.271 21 P C -1.107 176.093 177.300 -0.167 0.000 1.220 21 P CA -0.109 62.904 63.100 -0.146 0.000 0.768 21 P CB 0.815 32.465 31.700 -0.085 0.000 0.848 22 V N 3.904 123.649 119.914 -0.281 0.000 2.481 22 V HA 0.287 4.415 4.120 0.013 0.000 0.286 22 V C 0.555 176.485 176.094 -0.273 0.000 1.042 22 V CA -0.035 62.038 62.300 -0.378 0.000 0.928 22 V CB 1.530 32.811 31.823 -0.903 0.000 0.986 22 V HN 0.446 nan 8.190 nan 0.000 0.462 23 T N 3.180 117.634 114.554 -0.167 0.000 2.770 23 T HA 0.182 4.540 4.350 0.013 0.000 0.297 23 T C -0.319 174.250 174.700 -0.218 0.000 0.997 23 T CA -0.196 61.854 62.100 -0.083 0.000 0.949 23 T CB 0.331 69.251 68.868 0.087 0.000 0.941 23 T HN 0.688 nan 8.240 nan 0.000 0.457 24 D N 4.431 124.732 120.400 -0.164 0.000 2.422 24 D HA 0.128 4.776 4.640 0.013 0.000 0.227 24 D C 1.179 177.379 176.300 -0.167 0.000 1.190 24 D CA -0.555 53.464 54.000 0.032 0.000 0.905 24 D CB 0.893 41.798 40.800 0.174 0.000 1.034 24 D HN 0.435 nan 8.370 nan 0.000 0.507 25 M N 2.221 121.605 119.600 -0.361 0.000 2.682 25 M HA 0.153 4.641 4.480 0.013 0.000 0.235 25 M C -0.208 175.891 176.300 -0.334 0.000 1.114 25 M CA 0.464 55.316 55.300 -0.745 0.000 1.053 25 M CB -0.291 31.338 32.600 -1.618 0.000 1.599 25 M HN 0.222 nan 8.290 nan 0.000 0.520 26 H N -0.129 118.797 119.070 -0.240 0.000 3.235 26 H HA 0.562 5.126 4.556 0.013 0.000 0.324 26 H C -1.283 173.992 175.328 -0.089 0.000 1.059 26 H CA -0.318 55.599 56.048 -0.217 0.000 1.497 26 H CB 0.769 30.283 29.762 -0.413 0.000 1.986 26 H HN 0.362 nan 8.280 nan 0.000 0.444 27 T N 1.114 115.291 114.554 -0.628 0.000 2.778 27 T HA 0.345 4.703 4.350 0.013 0.000 0.293 27 T C -0.554 173.686 174.700 -0.766 0.000 1.144 27 T CA -0.866 60.904 62.100 -0.551 0.000 1.010 27 T CB 1.689 70.427 68.868 -0.218 0.000 1.325 27 T HN 0.675 nan 8.240 nan 0.000 0.515 28 H N 0.537 119.447 119.070 -0.266 0.000 2.505 28 H HA 0.443 5.007 4.556 0.013 0.000 0.260 28 H C -0.346 174.801 175.328 -0.303 0.000 1.168 28 H CA -0.183 55.717 56.048 -0.247 0.000 0.945 28 H CB 0.099 29.828 29.762 -0.055 0.000 1.800 28 H HN 0.322 nan 8.280 nan 0.000 0.586 29 L N 0.163 121.206 121.223 -0.300 0.000 2.358 29 L HA 0.479 4.827 4.340 0.013 0.000 0.268 29 L C -0.584 176.010 176.870 -0.459 0.000 1.032 29 L CA -0.776 53.971 54.840 -0.154 0.000 0.805 29 L CB 1.191 43.289 42.059 0.064 0.000 1.253 29 L HN -0.050 nan 8.230 nan 0.000 0.452 30 F N -0.983 118.963 119.950 -0.006 0.000 2.588 30 F HA 0.278 4.813 4.527 0.014 0.000 0.310 30 F C 0.437 175.786 175.800 -0.751 0.000 1.082 30 F CA -0.660 57.180 58.000 -0.268 0.000 0.929 30 F CB 2.021 40.960 39.000 -0.100 0.000 1.254 30 F HN 0.280 nan 8.300 nan 0.000 0.455 31 S N 2.698 117.726 115.700 -1.119 0.000 2.558 31 S HA 0.058 4.535 4.470 0.013 0.000 0.293 31 S C -1.592 172.601 174.600 -0.679 0.000 1.292 31 S CA -0.798 56.511 58.200 -1.486 0.000 1.063 31 S CB 0.757 63.251 63.200 -1.178 0.000 0.831 31 S HN 0.386 nan 8.310 nan 0.000 0.499 32 P HA -0.180 nan 4.420 nan 0.000 0.216 32 P C 1.227 178.479 177.300 -0.080 0.000 1.154 32 P CA 1.333 64.306 63.100 -0.213 0.000 0.865 32 P CB -0.145 31.444 31.700 -0.185 0.000 0.789 33 N N -1.059 117.601 118.700 -0.067 0.000 2.585 33 N HA -0.152 4.596 4.740 0.013 0.000 0.188 33 N C 1.164 176.744 175.510 0.117 0.000 1.102 33 N CA 1.003 54.065 53.050 0.020 0.000 0.920 33 N CB -1.315 37.182 38.487 0.016 0.000 0.963 33 N HN 0.116 nan 8.380 nan 0.000 0.447 34 F N 0.758 120.593 119.950 -0.191 0.000 2.661 34 F HA 0.244 4.780 4.527 0.014 0.000 0.298 34 F C 2.020 177.716 175.800 -0.173 0.000 1.137 34 F CA 0.357 58.229 58.000 -0.212 0.000 1.454 34 F CB -0.536 38.331 39.000 -0.221 0.000 1.103 34 F HN 0.380 nan 8.300 nan 0.000 0.577 35 G N -0.126 108.708 108.800 0.057 0.000 2.428 35 G HA2 -0.195 3.773 3.960 0.013 0.000 0.202 35 G HA3 -0.195 3.773 3.960 0.013 0.000 0.202 35 G C 0.555 175.486 174.900 0.052 0.000 1.247 35 G CA -0.227 44.885 45.100 0.019 0.000 1.020 35 G HN -0.017 nan 8.290 nan 0.000 0.529 36 E N 0.466 120.687 120.200 0.035 0.000 2.409 36 E HA -0.049 4.309 4.350 0.013 0.000 0.198 36 E C 2.600 179.237 176.600 0.062 0.000 1.024 36 E CA 1.159 57.596 56.400 0.062 0.000 0.861 36 E CB -0.255 29.465 29.700 0.033 0.000 0.788 36 E HN 0.729 nan 8.360 nan 0.000 0.521 37 I N -1.037 119.527 120.570 -0.010 0.000 2.423 37 I HA -0.149 4.029 4.170 0.013 0.000 0.254 37 I C 1.210 177.431 176.117 0.173 0.000 1.151 37 I CA 0.232 61.504 61.300 -0.046 0.000 1.421 37 I CB -0.534 37.192 38.000 -0.456 0.000 1.079 37 I HN -0.039 nan 8.210 nan 0.000 0.431 38 L N 3.707 125.060 121.223 0.216 0.000 2.485 38 L HA 0.322 4.670 4.340 0.013 0.000 0.279 38 L C -0.314 176.767 176.870 0.352 0.000 1.124 38 L CA 0.150 55.181 54.840 0.318 0.000 0.888 38 L CB -0.136 42.053 42.059 0.217 0.000 1.217 38 L HN 0.124 nan 8.230 nan 0.000 0.464 39 L N 6.794 128.211 121.223 0.324 0.000 2.350 39 L HA 0.542 4.890 4.340 0.013 0.000 0.275 39 L C -0.439 176.654 176.870 0.372 0.000 1.099 39 L CA -0.454 54.548 54.840 0.270 0.000 0.808 39 L CB 0.827 42.999 42.059 0.187 0.000 1.149 39 L HN 0.754 nan 8.230 nan 0.000 0.442 40 W N 2.243 123.560 121.300 0.028 0.000 3.298 40 W HA 0.610 5.278 4.660 0.013 0.000 0.302 40 W C -1.690 174.777 176.519 -0.088 0.000 1.255 40 W CA -0.751 56.594 57.345 0.000 0.000 1.196 40 W CB 1.386 30.886 29.460 0.068 0.000 1.364 40 W HN 0.539 nan 8.180 nan 0.000 0.566 41 D N 0.880 121.168 120.400 -0.187 0.000 6.807 41 D HA -0.141 4.507 4.640 0.013 0.000 0.308 41 D C -0.199 175.625 176.300 -0.794 0.000 1.819 41 D CA -0.088 53.461 54.000 -0.750 0.000 1.784 41 D CB 0.464 40.913 40.800 -0.585 0.000 2.440 41 D HN 0.397 nan 8.370 nan 0.000 0.697 42 I N 1.290 121.174 120.570 -1.143 0.000 2.546 42 I HA -0.078 4.099 4.170 0.013 0.000 0.255 42 I C 1.526 177.469 176.117 -0.289 0.000 1.163 42 I CA 1.596 62.559 61.300 -0.563 0.000 1.457 42 I CB -0.007 37.801 38.000 -0.320 0.000 1.092 42 I HN 0.301 nan 8.210 nan 0.000 0.434 43 D N 0.617 120.845 120.400 -0.287 0.000 2.117 43 D HA -0.145 4.503 4.640 0.013 0.000 0.198 43 D C 1.937 178.189 176.300 -0.079 0.000 0.982 43 D CA 0.990 54.901 54.000 -0.148 0.000 0.828 43 D CB -0.039 40.672 40.800 -0.148 0.000 0.967 43 D HN 0.399 nan 8.370 nan 0.000 0.464 44 E N 0.783 120.911 120.200 -0.121 0.000 2.072 44 E HA -0.059 4.299 4.350 0.013 0.000 0.191 44 E C 2.562 179.178 176.600 0.027 0.000 0.985 44 E CA 0.131 56.516 56.400 -0.026 0.000 0.801 44 E CB -0.328 29.345 29.700 -0.045 0.000 0.750 44 E HN 0.348 nan 8.360 nan 0.000 0.452 45 L N 0.369 121.571 121.223 -0.036 0.000 2.042 45 L HA -0.176 4.172 4.340 0.013 0.000 0.210 45 L C 2.522 179.466 176.870 0.123 0.000 1.076 45 L CA 0.954 55.798 54.840 0.007 0.000 0.749 45 L CB -0.379 41.663 42.059 -0.029 0.000 0.893 45 L HN 0.115 nan 8.230 nan 0.000 0.432 46 L N -0.728 120.562 121.223 0.111 0.000 2.313 46 L HA -0.098 4.250 4.340 0.013 0.000 0.214 46 L C 2.200 179.232 176.870 0.269 0.000 1.119 46 L CA 1.310 56.273 54.840 0.206 0.000 0.809 46 L CB -0.491 41.660 42.059 0.153 0.000 0.933 46 L HN 0.400 nan 8.230 nan 0.000 0.449 47 T N -4.400 110.301 114.554 0.245 0.000 3.163 47 T HA -0.011 4.347 4.350 0.013 0.000 0.252 47 T C 0.445 175.374 174.700 0.381 0.000 1.056 47 T CA -0.408 61.880 62.100 0.313 0.000 0.947 47 T CB -0.453 68.567 68.868 0.255 0.000 1.016 47 T HN 0.047 nan 8.240 nan 0.000 0.554 48 Y N 4.308 124.722 120.300 0.190 0.000 2.811 48 Y HA 0.048 4.606 4.550 0.013 0.000 0.334 48 Y C 1.564 177.610 175.900 0.243 0.000 1.247 48 Y CA -0.644 57.551 58.100 0.158 0.000 1.526 48 Y CB 0.377 38.873 38.460 0.061 0.000 1.284 48 Y HN 0.532 nan 8.280 nan 0.000 0.586 49 H N 2.920 122.095 119.070 0.174 0.000 2.489 49 H HA -0.179 4.385 4.556 0.014 0.000 0.295 49 H C 1.055 176.418 175.328 0.058 0.000 1.082 49 H CA 2.101 58.233 56.048 0.141 0.000 1.295 49 H CB -0.696 29.172 29.762 0.176 0.000 1.380 49 H HN 0.678 nan 8.280 nan 0.000 0.548 50 Y N 0.818 120.621 120.300 -0.828 0.000 2.224 50 Y HA -0.093 4.465 4.550 0.013 0.000 0.289 50 Y C 2.340 178.182 175.900 -0.096 0.000 1.146 50 Y CA 1.131 58.960 58.100 -0.452 0.000 1.182 50 Y CB -0.325 37.764 38.460 -0.619 0.000 0.983 50 Y HN 0.274 nan 8.280 nan 0.000 0.524 51 L N -1.800 119.514 121.223 0.151 0.000 2.341 51 L HA -0.086 4.261 4.340 0.013 0.000 0.214 51 L C 2.149 179.070 176.870 0.085 0.000 1.115 51 L CA 0.141 55.083 54.840 0.171 0.000 0.820 51 L CB -0.505 41.714 42.059 0.267 0.000 0.944 51 L HN 0.017 nan 8.230 nan 0.000 0.452 52 V N 0.470 120.423 119.914 0.065 0.000 2.295 52 V HA -0.285 3.843 4.120 0.013 0.000 0.246 52 V C 2.815 178.810 176.094 -0.165 0.000 1.049 52 V CA 1.913 64.131 62.300 -0.136 0.000 1.024 52 V CB -0.795 30.999 31.823 -0.047 0.000 0.648 52 V HN 0.474 nan 8.190 nan 0.000 0.447 53 A N -0.442 122.362 122.820 -0.026 0.000 1.908 53 A HA -0.267 4.061 4.320 0.013 0.000 0.218 53 A C 2.176 179.730 177.584 -0.050 0.000 1.181 53 A CA 2.040 54.056 52.037 -0.035 0.000 0.627 53 A CB -0.501 18.523 19.000 0.040 0.000 0.818 53 A HN 0.632 nan 8.150 nan 0.000 0.445 54 E N -0.874 119.325 120.200 -0.002 0.000 2.072 54 E HA -0.115 4.243 4.350 0.013 0.000 0.191 54 E C 1.939 178.568 176.600 0.048 0.000 0.985 54 E CA 1.110 57.524 56.400 0.024 0.000 0.801 54 E CB -0.252 29.491 29.700 0.071 0.000 0.750 54 E HN 0.377 nan 8.360 nan 0.000 0.452 55 V N 1.005 120.926 119.914 0.011 0.000 2.515 55 V HA -0.193 3.935 4.120 0.013 0.000 0.250 55 V C 1.890 177.964 176.094 -0.033 0.000 1.058 55 V CA 1.182 63.499 62.300 0.028 0.000 1.064 55 V CB -0.138 31.655 31.823 -0.049 0.000 0.675 55 V HN 0.309 nan 8.190 nan 0.000 0.461 56 M N -0.626 118.884 119.600 -0.149 0.000 2.549 56 M HA -0.045 4.443 4.480 0.013 0.000 0.260 56 M C 2.023 178.256 176.300 -0.112 0.000 1.076 56 M CA 1.325 56.529 55.300 -0.159 0.000 1.090 56 M CB -1.159 31.314 32.600 -0.211 0.000 1.418 56 M HN 0.344 nan 8.290 nan 0.000 0.486 57 R N -2.218 118.203 120.500 -0.132 0.000 2.275 57 R HA -0.080 4.268 4.340 0.013 0.000 0.199 57 R C 1.453 177.541 176.300 -0.353 0.000 0.989 57 R CA 0.796 56.731 56.100 -0.274 0.000 1.016 57 R CB 0.147 30.212 30.300 -0.392 0.000 0.918 57 R HN 0.438 nan 8.270 nan 0.000 0.473 58 W N -0.698 120.562 121.300 -0.068 0.000 3.033 58 W HA 0.136 4.803 4.660 0.012 0.000 0.250 58 W C 1.099 177.591 176.519 -0.045 0.000 1.105 58 W CA -0.277 57.035 57.345 -0.054 0.000 1.655 58 W CB -0.115 29.313 29.460 -0.054 0.000 1.001 58 W HN -0.241 nan 8.180 nan 0.000 0.653 59 T N 1.151 115.825 114.554 0.200 0.000 2.900 59 T HA -0.032 4.326 4.350 0.013 0.000 0.307 59 T C 0.633 175.372 174.700 0.064 0.000 1.065 59 T CA 0.251 62.416 62.100 0.108 0.000 1.105 59 T CB 0.617 69.522 68.868 0.062 0.000 0.979 59 T HN -0.030 nan 8.240 nan 0.000 0.544 60 D N 2.214 122.650 120.400 0.060 0.000 2.339 60 D HA 0.098 4.745 4.640 0.013 0.000 0.217 60 D C 0.422 176.744 176.300 0.037 0.000 1.050 60 D CA 0.218 54.244 54.000 0.043 0.000 0.856 60 D CB 0.209 41.036 40.800 0.044 0.000 0.922 60 D HN 0.269 nan 8.370 nan 0.000 0.518 61 V N 2.409 122.348 119.914 0.043 0.000 2.521 61 V HA 0.007 4.135 4.120 0.013 0.000 0.286 61 V C 1.042 177.155 176.094 0.033 0.000 1.034 61 V CA -0.462 61.868 62.300 0.051 0.000 1.045 61 V CB 1.008 32.882 31.823 0.085 0.000 0.974 61 V HN 0.161 nan 8.190 nan 0.000 0.480 62 S N 4.884 120.609 115.700 0.042 0.000 2.576 62 S HA 0.132 4.610 4.470 0.013 0.000 0.272 62 S C 1.024 175.644 174.600 0.032 0.000 1.352 62 S CA -0.282 57.941 58.200 0.038 0.000 1.021 62 S CB 0.656 63.889 63.200 0.055 0.000 0.887 62 S HN 0.617 nan 8.310 nan 0.000 0.542 63 I N 1.118 121.697 120.570 0.014 0.000 2.315 63 I HA -0.057 4.120 4.170 0.013 0.000 0.248 63 I C 2.025 178.184 176.117 0.070 0.000 1.117 63 I CA 1.583 62.858 61.300 -0.042 0.000 1.404 63 I CB -0.791 37.209 38.000 -0.001 0.000 1.071 63 I HN 0.796 nan 8.210 nan 0.000 0.419 64 E N 0.933 121.229 120.200 0.161 0.000 2.031 64 E HA -0.149 4.209 4.350 0.013 0.000 0.193 64 E C 2.306 179.015 176.600 0.182 0.000 0.994 64 E CA 1.673 58.208 56.400 0.223 0.000 0.800 64 E CB -0.778 29.017 29.700 0.160 0.000 0.752 64 E HN 0.570 nan 8.360 nan 0.000 0.447 65 A N 0.288 123.181 122.820 0.121 0.000 1.908 65 A HA -0.204 4.124 4.320 0.013 0.000 0.218 65 A C 2.145 179.779 177.584 0.083 0.000 1.181 65 A CA 1.471 53.565 52.037 0.094 0.000 0.627 65 A CB -0.884 18.163 19.000 0.078 0.000 0.818 65 A HN 0.338 nan 8.150 nan 0.000 0.445 66 F N -0.876 119.020 119.950 -0.090 0.000 2.095 66 F HA -0.185 4.350 4.527 0.013 0.000 0.298 66 F C 1.983 177.709 175.800 -0.124 0.000 1.104 66 F CA 1.690 59.573 58.000 -0.194 0.000 1.232 66 F CB -0.485 38.258 39.000 -0.428 0.000 0.987 66 F HN 0.417 nan 8.300 nan 0.000 0.475 67 W N -0.338 121.015 121.300 0.088 0.000 2.525 67 W HA 0.021 4.689 4.660 0.013 0.000 0.259 67 W C 2.289 178.769 176.519 -0.065 0.000 1.253 67 W CA 0.519 57.860 57.345 -0.007 0.000 1.262 67 W CB -0.338 29.177 29.460 0.093 0.000 1.122 67 W HN 0.083 nan 8.180 nan 0.000 0.607 68 A N -0.434 122.477 122.820 0.151 0.000 2.132 68 A HA 0.128 4.456 4.320 0.013 0.000 0.213 68 A C 1.077 178.664 177.584 0.005 0.000 1.154 68 A CA 0.160 52.246 52.037 0.081 0.000 0.753 68 A CB -0.377 18.670 19.000 0.078 0.000 0.826 68 A HN 0.068 nan 8.150 nan 0.000 0.469 69 M N 0.869 120.424 119.600 -0.076 0.000 2.198 69 M HA 0.206 4.694 4.480 0.013 0.000 0.315 69 M C 0.940 177.177 176.300 -0.105 0.000 1.134 69 M CA -0.186 55.047 55.300 -0.111 0.000 1.171 69 M CB 0.780 33.259 32.600 -0.200 0.000 1.413 69 M HN 0.377 nan 8.290 nan 0.000 0.467 70 S N 0.285 115.939 115.700 -0.078 0.000 2.614 70 S HA 0.178 4.656 4.470 0.013 0.000 0.265 70 S C 0.710 175.260 174.600 -0.083 0.000 1.303 70 S CA -0.712 57.453 58.200 -0.059 0.000 1.000 70 S CB 1.102 64.277 63.200 -0.041 0.000 0.935 70 S HN 0.798 nan 8.310 nan 0.000 0.551 71 K N 0.440 120.805 120.400 -0.057 0.000 2.209 71 K HA -0.096 4.231 4.320 0.013 0.000 0.204 71 K C 2.401 178.971 176.600 -0.051 0.000 1.048 71 K CA 1.038 57.294 56.287 -0.051 0.000 0.940 71 K CB -0.150 32.332 32.500 -0.029 0.000 0.729 71 K HN 0.708 nan 8.250 nan 0.000 0.451 72 R N 0.823 121.292 120.500 -0.052 0.000 2.075 72 R HA -0.136 4.212 4.340 0.013 0.000 0.232 72 R C 1.587 177.867 176.300 -0.033 0.000 1.126 72 R CA 1.878 57.950 56.100 -0.047 0.000 0.963 72 R CB -0.009 30.263 30.300 -0.046 0.000 0.858 72 R HN 0.305 nan 8.270 nan 0.000 0.435 73 E N 0.136 120.312 120.200 -0.040 0.000 2.106 73 E HA -0.194 4.164 4.350 0.013 0.000 0.192 73 E C 2.198 178.789 176.600 -0.015 0.000 0.984 73 E CA 1.114 57.499 56.400 -0.026 0.000 0.806 73 E CB 0.001 29.678 29.700 -0.039 0.000 0.750 73 E HN 0.493 nan 8.360 nan 0.000 0.458 74 Q N 0.589 120.336 119.800 -0.088 0.000 2.050 74 Q HA -0.152 4.196 4.340 0.013 0.000 0.202 74 Q C 2.327 178.415 176.000 0.147 0.000 0.980 74 Q CA 1.396 57.152 55.803 -0.079 0.000 0.840 74 Q CB -0.233 28.292 28.738 -0.354 0.000 0.898 74 Q HN 0.241 nan 8.270 nan 0.000 0.424 75 A N 1.549 124.422 122.820 0.088 0.000 1.902 75 A HA -0.228 4.100 4.320 0.013 0.000 0.217 75 A C 1.687 179.357 177.584 0.143 0.000 1.181 75 A CA 1.754 53.860 52.037 0.114 0.000 0.623 75 A CB -0.428 18.586 19.000 0.023 0.000 0.818 75 A HN 0.256 nan 8.150 nan 0.000 0.443 76 D N -0.452 120.006 120.400 0.097 0.000 2.117 76 D HA -0.127 4.521 4.640 0.013 0.000 0.197 76 D C 1.890 178.310 176.300 0.200 0.000 0.987 76 D CA 1.378 55.452 54.000 0.124 0.000 0.829 76 D CB -0.345 40.494 40.800 0.065 0.000 0.961 76 D HN 0.364 nan 8.370 nan 0.000 0.460 77 L N 1.090 122.423 121.223 0.183 0.000 2.017 77 L HA -0.107 4.241 4.340 0.013 0.000 0.208 77 L C 2.228 179.236 176.870 0.230 0.000 1.073 77 L CA 1.357 56.314 54.840 0.196 0.000 0.745 77 L CB -0.493 41.699 42.059 0.221 0.000 0.894 77 L HN -0.032 nan 8.230 nan 0.000 0.432 78 I N -1.622 119.118 120.570 0.284 0.000 2.286 78 I HA -0.332 3.846 4.170 0.013 0.000 0.248 78 I C 2.374 178.739 176.117 0.412 0.000 1.115 78 I CA 1.530 63.015 61.300 0.308 0.000 1.392 78 I CB -0.553 37.648 38.000 0.335 0.000 1.065 78 I HN 0.592 nan 8.210 nan 0.000 0.418 79 W N 2.259 123.665 121.300 0.177 0.000 2.379 79 W HA -0.257 4.411 4.660 0.013 0.000 0.307 79 W C 2.406 179.049 176.519 0.207 0.000 1.200 79 W CA 2.003 59.429 57.345 0.135 0.000 1.297 79 W CB -0.053 29.372 29.460 -0.057 0.000 1.140 79 W HN 0.155 nan 8.180 nan 0.000 0.507 80 E N 0.798 121.151 120.200 0.255 0.000 2.031 80 E HA -0.237 4.121 4.350 0.013 0.000 0.193 80 E C 1.985 178.585 176.600 -0.001 0.000 0.994 80 E CA 2.080 58.539 56.400 0.099 0.000 0.800 80 E CB -0.571 29.205 29.700 0.127 0.000 0.752 80 E HN 0.130 nan 8.360 nan 0.000 0.447 81 E N -0.029 120.191 120.200 0.034 0.000 2.072 81 E HA -0.104 4.254 4.350 0.013 0.000 0.191 81 E C 2.191 178.681 176.600 -0.185 0.000 0.985 81 E CA 1.077 57.442 56.400 -0.059 0.000 0.801 81 E CB -0.086 29.632 29.700 0.030 0.000 0.750 81 E HN 0.392 nan 8.360 nan 0.000 0.452 82 L N -1.207 119.969 121.223 -0.078 0.000 2.513 82 L HA 0.139 4.487 4.340 0.013 0.000 0.222 82 L C 1.678 178.247 176.870 -0.502 0.000 1.096 82 L CA 0.174 54.861 54.840 -0.255 0.000 0.857 82 L CB 0.029 41.976 42.059 -0.187 0.000 1.026 82 L HN 0.008 nan 8.230 nan 0.000 0.469 83 F N -1.302 118.413 119.950 -0.391 0.000 2.637 83 F HA 0.169 4.704 4.527 0.013 0.000 0.284 83 F C 2.017 177.514 175.800 -0.505 0.000 1.105 83 F CA -0.010 57.653 58.000 -0.562 0.000 1.356 83 F CB 0.416 38.743 39.000 -1.120 0.000 1.096 83 F HN -0.173 nan 8.300 nan 0.000 0.616 84 I N 0.245 120.656 120.570 -0.265 0.000 2.729 84 I HA -0.030 4.148 4.170 0.013 0.000 0.256 84 I C 1.871 177.880 176.117 -0.180 0.000 1.115 84 I CA 1.087 62.268 61.300 -0.198 0.000 1.446 84 I CB -1.047 36.875 38.000 -0.130 0.000 1.176 84 I HN 0.051 nan 8.210 nan 0.000 0.446 85 K N 0.755 121.028 120.400 -0.211 0.000 2.217 85 K HA -0.031 4.297 4.320 0.013 0.000 0.202 85 K C 0.159 176.553 176.600 -0.344 0.000 1.051 85 K CA 0.725 56.860 56.287 -0.254 0.000 0.952 85 K CB 0.189 32.522 32.500 -0.279 0.000 0.736 85 K HN 0.189 nan 8.250 nan 0.000 0.453 86 R N -0.588 119.678 120.500 -0.391 0.000 2.740 86 R HA 0.242 4.590 4.340 0.013 0.000 0.273 86 R C -1.069 175.049 176.300 -0.303 0.000 0.998 86 R CA -0.473 55.394 56.100 -0.389 0.000 0.900 86 R CB 1.888 31.841 30.300 -0.580 0.000 1.223 86 R HN -0.158 nan 8.270 nan 0.000 0.466 87 S N 3.533 119.098 115.700 -0.225 0.000 2.549 87 S HA 0.141 4.619 4.470 0.013 0.000 0.283 87 S C -1.908 172.535 174.600 -0.261 0.000 1.320 87 S CA -0.605 57.475 58.200 -0.200 0.000 1.058 87 S CB 0.511 63.633 63.200 -0.129 0.000 0.882 87 S HN 0.442 nan 8.310 nan 0.000 0.498 88 P HA 0.077 nan 4.420 nan 0.000 0.231 88 P C 0.806 177.940 177.300 -0.277 0.000 1.756 88 P CA -0.112 62.687 63.100 -0.501 0.000 0.990 88 P CB -0.474 30.785 31.700 -0.735 0.000 1.973 89 V N -0.612 119.190 119.914 -0.187 0.000 3.129 89 V HA -0.004 4.124 4.120 0.013 0.000 0.259 89 V C 1.207 177.254 176.094 -0.078 0.000 1.116 89 V CA 0.577 62.812 62.300 -0.108 0.000 1.127 89 V CB -1.330 30.451 31.823 -0.071 0.000 0.742 89 V HN 0.379 nan 8.190 nan 0.000 0.474 90 S N 0.627 116.278 115.700 -0.082 0.000 2.576 90 S HA 0.085 4.563 4.470 0.013 0.000 0.272 90 S C 1.113 175.707 174.600 -0.009 0.000 1.352 90 S CA 0.636 58.821 58.200 -0.025 0.000 1.021 90 S CB 1.207 64.404 63.200 -0.004 0.000 0.887 90 S HN 0.528 nan 8.310 nan 0.000 0.542 91 E N 2.004 122.234 120.200 0.050 0.000 2.085 91 E HA -0.129 4.229 4.350 0.013 0.000 0.194 91 E C 2.052 178.699 176.600 0.078 0.000 0.994 91 E CA 2.006 58.462 56.400 0.093 0.000 0.801 91 E CB -0.975 28.827 29.700 0.170 0.000 0.743 91 E HN 0.815 nan 8.360 nan 0.000 0.453 92 A N -0.244 122.646 122.820 0.117 0.000 1.898 92 A HA -0.163 4.165 4.320 0.013 0.000 0.216 92 A C 2.592 180.173 177.584 -0.005 0.000 1.181 92 A CA 1.433 53.535 52.037 0.109 0.000 0.620 92 A CB -0.955 18.210 19.000 0.274 0.000 0.819 92 A HN 0.505 nan 8.150 nan 0.000 0.442 93 C N -1.119 118.166 119.300 -0.025 0.000 2.440 93 C HA -0.024 4.444 4.460 0.013 0.000 0.278 93 C C 2.796 177.775 174.990 -0.019 0.000 1.295 93 C CA 1.048 60.012 59.018 -0.091 0.000 1.738 93 C CB -1.200 26.238 27.740 -0.504 0.000 1.987 93 C HN 0.716 nan 8.230 nan 0.000 0.492 94 R N 1.124 121.585 120.500 -0.065 0.000 2.091 94 R HA -0.107 4.241 4.340 0.013 0.000 0.238 94 R C 2.253 178.528 176.300 -0.040 0.000 1.136 94 R CA 1.992 58.081 56.100 -0.019 0.000 0.959 94 R CB -0.734 29.551 30.300 -0.024 0.000 0.856 94 R HN 0.546 nan 8.270 nan 0.000 0.437 95 G N 0.431 109.029 108.800 -0.336 0.000 2.440 95 G HA2 -0.227 3.741 3.960 0.013 0.000 0.218 95 G HA3 -0.227 3.741 3.960 0.013 0.000 0.218 95 G C 1.450 175.983 174.900 -0.611 0.000 1.154 95 G CA 0.952 45.311 45.100 -1.234 0.000 0.767 95 G HN 0.232 nan 8.290 nan 0.000 0.552 96 V N 1.192 120.969 119.914 -0.228 0.000 2.287 96 V HA -0.185 3.943 4.120 0.013 0.000 0.248 96 V C 2.950 179.070 176.094 0.043 0.000 1.053 96 V CA 1.746 64.061 62.300 0.024 0.000 1.027 96 V CB -0.536 31.433 31.823 0.242 0.000 0.646 96 V HN 0.375 nan 8.190 nan 0.000 0.447 97 L N -0.428 120.857 121.223 0.104 0.000 2.042 97 L HA -0.192 4.156 4.340 0.013 0.000 0.210 97 L C 2.619 179.491 176.870 0.003 0.000 1.076 97 L CA 2.019 56.904 54.840 0.076 0.000 0.749 97 L CB -1.267 40.864 42.059 0.120 0.000 0.893 97 L HN 0.344 nan 8.230 nan 0.000 0.432 98 T N -0.858 113.693 114.554 -0.005 0.000 2.720 98 T HA -0.197 4.161 4.350 0.013 0.000 0.268 98 T C 2.072 176.757 174.700 -0.025 0.000 1.037 98 T CA 1.605 63.686 62.100 -0.032 0.000 1.144 98 T CB -0.385 68.479 68.868 -0.007 0.000 0.864 98 T HN 0.400 nan 8.240 nan 0.000 0.444 99 C N 0.903 120.211 119.300 0.014 0.000 2.429 99 C HA 0.051 4.519 4.460 0.013 0.000 0.277 99 C C 2.682 177.662 174.990 -0.016 0.000 1.262 99 C CA 0.277 59.322 59.018 0.044 0.000 1.733 99 C CB -1.426 26.373 27.740 0.100 0.000 2.010 99 C HN 0.513 nan 8.230 nan 0.000 0.483 100 L N 0.361 121.542 121.223 -0.072 0.000 1.970 100 L HA -0.261 4.087 4.340 0.013 0.000 0.212 100 L C 2.832 179.594 176.870 -0.181 0.000 1.071 100 L CA 1.994 56.717 54.840 -0.194 0.000 0.751 100 L CB -0.995 40.858 42.059 -0.343 0.000 0.889 100 L HN 0.443 nan 8.230 nan 0.000 0.432 101 Q N 0.027 119.759 119.800 -0.115 0.000 2.112 101 Q HA -0.211 4.137 4.340 0.013 0.000 0.206 101 Q C 2.103 178.069 176.000 -0.058 0.000 0.987 101 Q CA 1.941 57.700 55.803 -0.073 0.000 0.858 101 Q CB -0.316 28.400 28.738 -0.035 0.000 0.905 101 Q HN 0.563 nan 8.270 nan 0.000 0.420 102 G N 0.802 109.578 108.800 -0.040 0.000 2.432 102 G HA2 -0.209 3.759 3.960 0.013 0.000 0.219 102 G HA3 -0.209 3.759 3.960 0.013 0.000 0.219 102 G C 1.271 176.146 174.900 -0.042 0.000 1.135 102 G CA 0.606 45.703 45.100 -0.006 0.000 0.767 102 G HN 0.347 nan 8.290 nan 0.000 0.550 103 L N 0.165 121.317 121.223 -0.119 0.000 2.610 103 L HA 0.233 4.581 4.340 0.013 0.000 0.232 103 L C 2.130 178.838 176.870 -0.271 0.000 1.149 103 L CA 0.538 55.234 54.840 -0.239 0.000 0.872 103 L CB 0.073 41.840 42.059 -0.486 0.000 0.992 103 L HN 0.414 nan 8.230 nan 0.000 0.447 104 G N -0.298 108.402 108.800 -0.167 0.000 2.176 104 G HA2 -0.236 3.732 3.960 0.013 0.000 0.232 104 G HA3 -0.236 3.732 3.960 0.013 0.000 0.232 104 G C 0.274 175.106 174.900 -0.113 0.000 0.986 104 G CA -0.302 44.735 45.100 -0.105 0.000 0.643 104 G HN 0.175 nan 8.290 nan 0.000 0.522 105 L N 0.539 121.642 121.223 -0.199 0.000 2.466 105 L HA 0.556 4.904 4.340 0.013 0.000 0.257 105 L C 0.183 177.016 176.870 -0.060 0.000 1.189 105 L CA -0.477 54.282 54.840 -0.136 0.000 0.813 105 L CB 0.645 42.529 42.059 -0.292 0.000 1.118 105 L HN 0.114 nan 8.230 nan 0.000 0.471 106 D N 0.776 121.226 120.400 0.084 0.000 2.460 106 D HA 0.277 4.925 4.640 0.013 0.000 0.232 106 D C -1.914 174.510 176.300 0.206 0.000 1.079 106 D CA -2.042 52.027 54.000 0.115 0.000 0.864 106 D CB 1.610 42.485 40.800 0.124 0.000 1.048 106 D HN 0.078 nan 8.370 nan 0.000 0.523 107 P HA -0.079 nan 4.420 nan 0.000 0.223 107 P C 0.971 178.414 177.300 0.239 0.000 1.144 107 P CA 0.822 64.034 63.100 0.186 0.000 0.783 107 P CB 0.311 32.069 31.700 0.096 0.000 0.771 108 A N -0.257 122.664 122.820 0.169 0.000 1.933 108 A HA -0.184 4.144 4.320 0.013 0.000 0.218 108 A C 2.217 179.893 177.584 0.152 0.000 1.175 108 A CA 2.334 54.451 52.037 0.135 0.000 0.628 108 A CB -1.838 17.217 19.000 0.092 0.000 0.814 108 A HN 0.347 nan 8.150 nan 0.000 0.444 109 T N -3.899 110.765 114.554 0.183 0.000 3.023 109 T HA -0.001 4.357 4.350 0.013 0.000 0.266 109 T C 0.956 175.751 174.700 0.159 0.000 1.093 109 T CA 0.655 62.835 62.100 0.133 0.000 1.129 109 T CB -0.389 68.525 68.868 0.078 0.000 0.899 109 T HN 0.572 nan 8.240 nan 0.000 0.491 110 R N 1.074 121.771 120.500 0.329 0.000 3.741 110 R HA -0.131 4.216 4.340 0.013 0.000 0.292 110 R C -0.699 175.712 176.300 0.184 0.000 1.176 110 R CA 0.882 57.282 56.100 0.499 0.000 0.794 110 R CB -2.112 28.426 30.300 0.396 0.000 1.213 110 R HN 0.488 nan 8.270 nan 0.000 0.494 111 D N 1.006 121.227 120.400 -0.298 0.000 2.468 111 D HA 0.056 4.704 4.640 0.013 0.000 0.218 111 D C 1.005 176.591 176.300 -1.191 0.000 1.155 111 D CA -0.213 53.444 54.000 -0.571 0.000 0.924 111 D CB 0.817 41.362 40.800 -0.426 0.000 1.029 111 D HN 0.038 nan 8.370 nan 0.000 0.515 112 L N 3.940 124.655 121.223 -0.846 0.000 2.083 112 L HA -0.180 4.168 4.340 0.013 0.000 0.209 112 L C 1.974 178.570 176.870 -0.456 0.000 1.083 112 L CA 1.716 56.087 54.840 -0.782 0.000 0.752 112 L CB -0.212 41.310 42.059 -0.894 0.000 0.899 112 L HN 0.339 nan 8.230 nan 0.000 0.433 113 Q N -0.846 118.741 119.800 -0.356 0.000 2.084 113 Q HA -0.104 4.244 4.340 0.013 0.000 0.202 113 Q C 2.391 178.293 176.000 -0.163 0.000 0.978 113 Q CA 1.710 57.394 55.803 -0.199 0.000 0.844 113 Q CB -0.813 27.836 28.738 -0.148 0.000 0.898 113 Q HN 0.450 nan 8.270 nan 0.000 0.426 114 V N 0.542 120.300 119.914 -0.259 0.000 2.358 114 V HA -0.243 3.885 4.120 0.013 0.000 0.246 114 V C 2.006 178.090 176.094 -0.016 0.000 1.047 114 V CA 1.502 63.709 62.300 -0.156 0.000 1.035 114 V CB -0.745 30.956 31.823 -0.203 0.000 0.658 114 V HN 0.226 nan 8.190 nan 0.000 0.452 115 Y N 0.840 121.124 120.300 -0.028 0.000 2.181 115 Y HA -0.173 4.385 4.550 0.013 0.000 0.288 115 Y C 2.626 178.646 175.900 0.199 0.000 1.146 115 Y CA 1.014 59.134 58.100 0.034 0.000 1.164 115 Y CB -1.018 37.428 38.460 -0.022 0.000 0.982 115 Y HN 0.172 nan 8.280 nan 0.000 0.515 116 R N 0.114 120.781 120.500 0.277 0.000 2.105 116 R HA -0.155 4.193 4.340 0.013 0.000 0.239 116 R C 2.069 178.522 176.300 0.254 0.000 1.135 116 R CA 1.308 57.577 56.100 0.280 0.000 0.967 116 R CB -0.194 30.149 30.300 0.072 0.000 0.861 116 R HN 0.308 nan 8.270 nan 0.000 0.442 117 E N 0.057 120.346 120.200 0.147 0.000 2.085 117 E HA -0.255 4.103 4.350 0.013 0.000 0.194 117 E C 1.693 178.354 176.600 0.102 0.000 0.994 117 E CA 1.276 57.733 56.400 0.095 0.000 0.801 117 E CB -0.407 29.325 29.700 0.054 0.000 0.743 117 E HN 0.451 nan 8.360 nan 0.000 0.453 118 Y N 0.388 120.666 120.300 -0.037 0.000 2.151 118 Y HA -0.278 4.281 4.550 0.014 0.000 0.284 118 Y C 2.019 177.798 175.900 -0.201 0.000 1.166 118 Y CA 1.801 59.782 58.100 -0.198 0.000 1.163 118 Y CB -0.386 37.816 38.460 -0.430 0.000 0.974 118 Y HN -0.064 nan 8.280 nan 0.000 0.511 119 F N -0.382 119.724 119.950 0.260 0.000 2.293 119 F HA 0.055 4.590 4.527 0.013 0.000 0.297 119 F C 2.520 178.374 175.800 0.090 0.000 1.089 119 F CA 0.830 58.967 58.000 0.229 0.000 1.377 119 F CB -1.010 38.102 39.000 0.186 0.000 1.051 119 F HN 0.091 nan 8.300 nan 0.000 0.511 120 A N 0.725 123.657 122.820 0.187 0.000 2.172 120 A HA -0.151 4.177 4.320 0.013 0.000 0.216 120 A C 1.910 179.536 177.584 0.069 0.000 1.154 120 A CA 1.304 53.391 52.037 0.084 0.000 0.701 120 A CB -0.845 18.184 19.000 0.047 0.000 0.789 120 A HN 0.522 nan 8.150 nan 0.000 0.465 121 K N -0.552 119.871 120.400 0.037 0.000 2.397 121 K HA 0.263 4.591 4.320 0.013 0.000 0.202 121 K C -0.110 176.492 176.600 0.003 0.000 1.022 121 K CA -0.194 56.094 56.287 0.001 0.000 1.141 121 K CB 0.270 32.741 32.500 -0.048 0.000 0.857 121 K HN 0.239 nan 8.250 nan 0.000 0.514 122 K N 1.073 121.528 120.400 0.091 0.000 2.350 122 K HA 0.253 4.581 4.320 0.013 0.000 0.241 122 K C -0.418 176.313 176.600 0.218 0.000 0.994 122 K CA -0.905 55.432 56.287 0.083 0.000 0.839 122 K CB 1.891 34.391 32.500 0.000 0.000 1.244 122 K HN 0.145 nan 8.250 nan 0.000 0.443 123 T N -2.489 112.102 114.554 0.061 0.000 2.952 123 T HA 0.195 4.553 4.350 0.013 0.000 0.286 123 T C 1.042 175.632 174.700 -0.183 0.000 1.024 123 T CA -0.703 61.439 62.100 0.069 0.000 1.029 123 T CB 1.535 70.412 68.868 0.016 0.000 1.094 123 T HN 0.363 nan 8.240 nan 0.000 0.515 124 S N 0.853 116.474 115.700 -0.131 0.000 2.359 124 S HA -0.153 4.325 4.470 0.013 0.000 0.223 124 S C 1.934 176.304 174.600 -0.384 0.000 1.039 124 S CA 1.806 59.740 58.200 -0.444 0.000 1.042 124 S CB -0.628 62.507 63.200 -0.108 0.000 0.915 124 S HN 0.864 nan 8.310 nan 0.000 0.439 125 E N 1.270 121.355 120.200 -0.191 0.000 2.097 125 E HA -0.169 4.189 4.350 0.013 0.000 0.196 125 E C 2.092 178.606 176.600 -0.144 0.000 1.000 125 E CA 1.390 57.708 56.400 -0.136 0.000 0.804 125 E CB -0.271 29.383 29.700 -0.078 0.000 0.740 125 E HN 0.619 nan 8.360 nan 0.000 0.454 126 E N -0.023 120.080 120.200 -0.162 0.000 2.047 126 E HA -0.229 4.128 4.350 0.013 0.000 0.191 126 E C 2.128 178.625 176.600 -0.173 0.000 0.987 126 E CA 1.129 57.446 56.400 -0.139 0.000 0.799 126 E CB -0.092 29.537 29.700 -0.119 0.000 0.752 126 E HN 0.101 nan 8.360 nan 0.000 0.449 127 Q N 1.009 120.617 119.800 -0.320 0.000 2.167 127 Q HA -0.112 4.236 4.340 0.013 0.000 0.202 127 Q C 2.033 177.919 176.000 -0.191 0.000 0.970 127 Q CA 1.024 56.645 55.803 -0.304 0.000 0.855 127 Q CB -0.051 28.267 28.738 -0.701 0.000 0.911 127 Q HN 0.093 nan 8.270 nan 0.000 0.438 128 V N 0.958 120.745 119.914 -0.211 0.000 2.307 128 V HA -0.246 3.882 4.120 0.013 0.000 0.245 128 V C 1.668 177.747 176.094 -0.024 0.000 1.045 128 V CA 2.103 64.360 62.300 -0.071 0.000 1.024 128 V CB -0.605 31.208 31.823 -0.017 0.000 0.651 128 V HN 0.409 nan 8.190 nan 0.000 0.449 129 D N -0.070 120.306 120.400 -0.041 0.000 2.104 129 D HA -0.148 4.500 4.640 0.013 0.000 0.194 129 D C 2.267 178.558 176.300 -0.016 0.000 0.994 129 D CA 1.982 55.968 54.000 -0.024 0.000 0.830 129 D CB -0.485 40.296 40.800 -0.031 0.000 0.959 129 D HN 0.413 nan 8.370 nan 0.000 0.452 130 T N 0.724 115.269 114.554 -0.015 0.000 2.674 130 T HA -0.105 4.253 4.350 0.013 0.000 0.265 130 T C 2.301 177.020 174.700 0.031 0.000 1.039 130 T CA 1.030 63.141 62.100 0.018 0.000 1.150 130 T CB -0.494 68.404 68.868 0.050 0.000 0.864 130 T HN -0.034 nan 8.240 nan 0.000 0.427 131 V N 1.667 121.602 119.914 0.036 0.000 2.295 131 V HA -0.108 4.020 4.120 0.013 0.000 0.246 131 V C 2.531 178.640 176.094 0.025 0.000 1.049 131 V CA 1.483 63.813 62.300 0.049 0.000 1.024 131 V CB -0.736 31.127 31.823 0.065 0.000 0.648 131 V HN 0.443 nan 8.190 nan 0.000 0.447 132 L N -0.160 121.063 121.223 0.001 0.000 2.131 132 L HA -0.186 4.161 4.340 0.013 0.000 0.210 132 L C 2.662 179.510 176.870 -0.036 0.000 1.092 132 L CA 1.395 56.215 54.840 -0.033 0.000 0.759 132 L CB -0.662 41.361 42.059 -0.059 0.000 0.903 132 L HN 0.395 nan 8.230 nan 0.000 0.435 133 Q N 0.936 120.725 119.800 -0.019 0.000 2.046 133 Q HA -0.155 4.193 4.340 0.013 0.000 0.200 133 Q C 2.298 178.293 176.000 -0.009 0.000 0.975 133 Q CA 1.627 57.419 55.803 -0.019 0.000 0.836 133 Q CB -0.176 28.557 28.738 -0.009 0.000 0.896 133 Q HN 0.514 nan 8.270 nan 0.000 0.428 134 L N 0.267 121.497 121.223 0.012 0.000 2.017 134 L HA -0.143 4.205 4.340 0.013 0.000 0.208 134 L C 2.406 179.296 176.870 0.034 0.000 1.073 134 L CA 1.304 56.162 54.840 0.029 0.000 0.745 134 L CB -0.564 41.523 42.059 0.047 0.000 0.894 134 L HN 0.168 nan 8.230 nan 0.000 0.432 135 A N -0.979 121.860 122.820 0.032 0.000 2.206 135 A HA -0.110 4.218 4.320 0.013 0.000 0.211 135 A C 1.024 178.575 177.584 -0.056 0.000 1.158 135 A CA 0.518 52.580 52.037 0.041 0.000 0.761 135 A CB -0.419 18.632 19.000 0.084 0.000 0.801 135 A HN 0.595 nan 8.150 nan 0.000 0.473 136 N N -1.007 117.649 118.700 -0.074 0.000 2.725 136 N HA -0.142 4.606 4.740 0.013 0.000 0.251 136 N C -0.876 174.514 175.510 -0.200 0.000 1.031 136 N CA 0.938 53.915 53.050 -0.122 0.000 0.720 136 N CB -1.711 36.698 38.487 -0.130 0.000 0.930 136 N HN 0.157 nan 8.380 nan 0.000 0.543 137 V N 1.411 121.210 119.914 -0.191 0.000 2.347 137 V HA 0.275 4.403 4.120 0.013 0.000 0.280 137 V C 1.532 177.522 176.094 -0.172 0.000 1.021 137 V CA 0.212 62.362 62.300 -0.250 0.000 0.847 137 V CB 1.427 33.105 31.823 -0.242 0.000 0.990 137 V HN 0.516 nan 8.190 nan 0.000 0.444 138 S N 2.876 118.491 115.700 -0.141 0.000 2.421 138 S HA 0.109 4.587 4.470 0.013 0.000 0.224 138 S C 0.248 174.813 174.600 -0.058 0.000 1.035 138 S CA 0.147 58.297 58.200 -0.083 0.000 0.953 138 S CB 0.074 63.249 63.200 -0.041 0.000 0.810 138 S HN 0.745 nan 8.310 nan 0.000 0.497 139 D N -0.003 120.383 120.400 -0.023 0.000 2.879 139 D HA 0.639 5.287 4.640 0.013 0.000 0.236 139 D C -1.703 174.572 176.300 -0.041 0.000 1.171 139 D CA -0.508 53.538 54.000 0.077 0.000 0.868 139 D CB 2.475 43.521 40.800 0.409 0.000 1.598 139 D HN 0.046 nan 8.370 nan 0.000 0.497 140 V N 2.092 121.914 119.914 -0.153 0.000 2.448 140 V HA 0.418 4.546 4.120 0.013 0.000 0.295 140 V C -0.344 175.733 176.094 -0.029 0.000 1.025 140 V CA -0.797 61.381 62.300 -0.203 0.000 0.859 140 V CB 1.874 33.399 31.823 -0.496 0.000 0.988 140 V HN 0.361 nan 8.190 nan 0.000 0.431 141 V N 6.380 126.264 119.914 -0.050 0.000 2.383 141 V HA 0.418 4.546 4.120 0.013 0.000 0.275 141 V C 0.369 176.409 176.094 -0.091 0.000 1.036 141 V CA -0.259 62.022 62.300 -0.033 0.000 0.889 141 V CB 1.313 33.040 31.823 -0.160 0.000 0.985 141 V HN 0.815 nan 8.190 nan 0.000 0.459 142 M N 2.798 122.365 119.600 -0.055 0.000 2.245 142 M HA 0.386 4.874 4.480 0.013 0.000 0.292 142 M C 0.114 176.321 176.300 -0.156 0.000 1.176 142 M CA -0.076 55.128 55.300 -0.160 0.000 1.035 142 M CB 0.918 33.464 32.600 -0.089 0.000 1.440 142 M HN 0.471 nan 8.290 nan 0.000 0.494 143 T N 1.949 116.380 114.554 -0.205 0.000 2.864 143 T HA 0.353 4.711 4.350 0.013 0.000 0.310 143 T C -0.734 174.046 174.700 0.133 0.000 1.040 143 T CA -0.829 61.249 62.100 -0.037 0.000 0.977 143 T CB 0.074 68.911 68.868 -0.051 0.000 0.976 143 T HN 0.464 nan 8.240 nan 0.000 0.459 144 N N 3.293 122.096 118.700 0.171 0.000 2.511 144 N HA 0.179 4.927 4.740 0.013 0.000 0.249 144 N C -1.260 174.313 175.510 0.105 0.000 0.971 144 N CA -0.582 52.639 53.050 0.286 0.000 0.938 144 N CB 1.867 40.532 38.487 0.296 0.000 1.131 144 N HN 0.525 nan 8.380 nan 0.000 0.505 145 D N 3.155 123.660 120.400 0.175 0.000 2.428 145 D HA 0.170 4.818 4.640 0.013 0.000 0.221 145 D C -1.427 174.811 176.300 -0.103 0.000 1.123 145 D CA -2.133 51.925 54.000 0.098 0.000 0.869 145 D CB 1.384 42.327 40.800 0.238 0.000 1.032 145 D HN 0.261 nan 8.370 nan 0.000 0.506 146 P HA -0.072 nan 4.420 nan 0.000 0.239 146 P C 0.739 177.633 177.300 -0.678 0.000 1.184 146 P CA 0.401 62.870 63.100 -1.052 0.000 0.760 146 P CB -0.051 30.322 31.700 -2.212 0.000 0.884 147 F N 0.101 120.045 119.950 -0.010 0.000 2.776 147 F HA 0.175 4.710 4.527 0.013 0.000 0.300 147 F C 0.954 176.875 175.800 0.202 0.000 1.116 147 F CA -0.216 57.918 58.000 0.224 0.000 1.375 147 F CB -0.346 38.781 39.000 0.212 0.000 1.109 147 F HN -0.096 nan 8.300 nan 0.000 0.585 148 D N -0.085 120.457 120.400 0.237 0.000 2.280 148 D HA 0.066 4.714 4.640 0.013 0.000 0.243 148 D C 0.874 177.266 176.300 0.153 0.000 1.129 148 D CA -0.107 54.012 54.000 0.198 0.000 0.848 148 D CB 0.776 41.679 40.800 0.173 0.000 1.107 148 D HN -0.109 nan 8.370 nan 0.000 0.471 149 D N 2.917 123.415 120.400 0.164 0.000 2.116 149 D HA -0.203 4.445 4.640 0.013 0.000 0.193 149 D C 1.338 177.684 176.300 0.078 0.000 0.998 149 D CA 1.016 55.099 54.000 0.138 0.000 0.836 149 D CB 0.001 40.881 40.800 0.133 0.000 0.951 149 D HN 0.496 nan 8.370 nan 0.000 0.449 150 N N 0.995 119.726 118.700 0.051 0.000 2.069 150 N HA -0.148 4.600 4.740 0.013 0.000 0.191 150 N C 1.678 177.167 175.510 -0.035 0.000 1.031 150 N CA 0.903 53.950 53.050 -0.004 0.000 0.852 150 N CB -0.210 38.263 38.487 -0.023 0.000 1.018 150 N HN 0.474 nan 8.380 nan 0.000 0.423 151 E N 0.769 120.973 120.200 0.008 0.000 2.150 151 E HA -0.069 4.289 4.350 0.013 0.000 0.193 151 E C 2.055 178.742 176.600 0.143 0.000 0.985 151 E CA 0.463 56.892 56.400 0.048 0.000 0.814 151 E CB -0.066 29.735 29.700 0.168 0.000 0.752 151 E HN 0.317 nan 8.360 nan 0.000 0.466 152 R N 0.665 121.239 120.500 0.123 0.000 2.105 152 R HA -0.136 4.211 4.340 0.013 0.000 0.239 152 R C 2.402 178.791 176.300 0.148 0.000 1.135 152 R CA 1.049 57.262 56.100 0.188 0.000 0.967 152 R CB -0.392 29.959 30.300 0.085 0.000 0.861 152 R HN 0.191 nan 8.270 nan 0.000 0.442 153 I N 0.654 121.236 120.570 0.019 0.000 2.053 153 I HA -0.422 3.756 4.170 0.013 0.000 0.236 153 I C 2.711 178.735 176.117 -0.155 0.000 1.038 153 I CA 2.031 63.296 61.300 -0.059 0.000 1.304 153 I CB -0.724 37.221 38.000 -0.091 0.000 1.023 153 I HN 0.293 nan 8.210 nan 0.000 0.395 154 S N 0.113 115.600 115.700 -0.355 0.000 2.374 154 S HA -0.255 4.223 4.470 0.013 0.000 0.227 154 S C 1.792 176.067 174.600 -0.542 0.000 1.037 154 S CA 1.375 59.189 58.200 -0.644 0.000 1.024 154 S CB -1.166 61.216 63.200 -1.363 0.000 0.861 154 S HN 0.547 nan 8.310 nan 0.000 0.456 155 W N 1.460 122.638 121.300 -0.203 0.000 2.358 155 W HA 0.187 4.855 4.660 0.013 0.000 0.303 155 W C 2.392 178.854 176.519 -0.095 0.000 1.208 155 W CA 0.344 57.658 57.345 -0.051 0.000 1.274 155 W CB -0.403 29.189 29.460 0.220 0.000 1.138 155 W HN 0.255 nan 8.180 nan 0.000 0.515 156 L N 0.043 121.341 121.223 0.125 0.000 2.217 156 L HA -0.131 4.216 4.340 0.013 0.000 0.211 156 L C 1.904 178.749 176.870 -0.041 0.000 1.107 156 L CA 1.179 56.021 54.840 0.003 0.000 0.783 156 L CB -0.654 41.408 42.059 0.004 0.000 0.919 156 L HN 0.067 nan 8.230 nan 0.000 0.442 157 E N -0.043 120.115 120.200 -0.071 0.000 2.482 157 E HA -0.033 4.325 4.350 0.013 0.000 0.196 157 E C 1.382 177.931 176.600 -0.084 0.000 1.047 157 E CA 0.506 56.854 56.400 -0.088 0.000 0.869 157 E CB 0.095 29.721 29.700 -0.124 0.000 0.836 157 E HN 0.565 nan 8.360 nan 0.000 0.520 158 G N 2.094 110.850 108.800 -0.073 0.000 2.141 158 G HA2 -0.301 3.666 3.960 0.013 0.000 0.242 158 G HA3 -0.301 3.666 3.960 0.013 0.000 0.242 158 G C -0.046 174.810 174.900 -0.073 0.000 0.982 158 G CA -0.033 45.039 45.100 -0.046 0.000 0.662 158 G HN 0.160 nan 8.290 nan 0.000 0.527 159 K N 0.809 121.106 120.400 -0.171 0.000 2.412 159 K HA 0.336 4.664 4.320 0.013 0.000 0.281 159 K C 0.301 176.803 176.600 -0.164 0.000 1.027 159 K CA 0.107 56.270 56.287 -0.206 0.000 0.989 159 K CB 0.481 32.755 32.500 -0.376 0.000 0.935 159 K HN 0.172 nan 8.250 nan 0.000 0.475 160 Q N 3.490 123.272 119.800 -0.031 0.000 2.245 160 Q HA 0.333 4.681 4.340 0.013 0.000 0.256 160 Q C -2.151 173.904 176.000 0.091 0.000 0.942 160 Q CA -2.124 53.708 55.803 0.048 0.000 0.896 160 Q CB 1.259 30.031 28.738 0.056 0.000 1.272 160 Q HN 0.474 nan 8.270 nan 0.000 0.442 161 P HA 0.014 nan 4.420 nan 0.000 0.276 161 P C -0.212 177.067 177.300 -0.034 0.000 1.252 161 P CA -0.424 62.637 63.100 -0.066 0.000 0.802 161 P CB 0.885 32.471 31.700 -0.189 0.000 1.035 162 D N 0.341 120.697 120.400 -0.073 0.000 2.478 162 D HA -0.080 4.568 4.640 0.013 0.000 0.234 162 D C 1.283 177.630 176.300 0.079 0.000 1.154 162 D CA 0.452 54.479 54.000 0.045 0.000 0.874 162 D CB 0.831 41.713 40.800 0.135 0.000 1.198 162 D HN 0.343 nan 8.370 nan 0.000 0.455 163 S N 3.514 119.231 115.700 0.029 0.000 2.469 163 S HA -0.149 4.329 4.470 0.013 0.000 0.238 163 S C 1.540 176.074 174.600 -0.110 0.000 0.998 163 S CA 0.654 58.832 58.200 -0.038 0.000 0.957 163 S CB -0.060 63.126 63.200 -0.022 0.000 0.764 163 S HN 0.556 nan 8.310 nan 0.000 0.514 164 R N -0.417 120.053 120.500 -0.050 0.000 2.297 164 R HA 0.318 4.666 4.340 0.013 0.000 0.197 164 R C -0.692 175.339 176.300 -0.449 0.000 0.943 164 R CA 0.165 56.148 56.100 -0.195 0.000 1.038 164 R CB -0.002 30.167 30.300 -0.218 0.000 0.957 164 R HN 0.413 nan 8.270 nan 0.000 0.484 165 F N 0.018 119.799 119.950 -0.281 0.000 2.458 165 F HA 0.317 4.853 4.527 0.014 0.000 0.336 165 F C 0.181 175.744 175.800 -0.394 0.000 1.114 165 F CA -1.035 56.814 58.000 -0.253 0.000 0.987 165 F CB 1.296 40.159 39.000 -0.229 0.000 1.130 165 F HN -0.077 nan 8.300 nan 0.000 0.458 166 H N 0.918 120.091 119.070 0.172 0.000 2.569 166 H HA 0.716 5.280 4.556 0.013 0.000 0.357 166 H C -0.427 174.980 175.328 0.133 0.000 1.153 166 H CA -0.956 55.201 56.048 0.182 0.000 1.193 166 H CB 1.524 31.430 29.762 0.241 0.000 1.602 166 H HN 0.736 nan 8.280 nan 0.000 0.523 167 A N 1.482 124.453 122.820 0.252 0.000 2.302 167 A HA 0.760 5.088 4.320 0.013 0.000 0.285 167 A C -0.472 177.078 177.584 -0.057 0.000 1.105 167 A CA -0.087 52.043 52.037 0.155 0.000 0.816 167 A CB 0.230 19.338 19.000 0.181 0.000 1.067 167 A HN 0.802 nan 8.150 nan 0.000 0.489 168 A N 1.403 124.134 122.820 -0.147 0.000 2.402 168 A HA 0.550 4.877 4.320 0.013 0.000 0.291 168 A C -0.966 176.517 177.584 -0.168 0.000 1.051 168 A CA -0.490 51.332 52.037 -0.358 0.000 0.716 168 A CB 0.836 19.459 19.000 -0.628 0.000 1.223 168 A HN 1.433 nan 8.150 nan 0.000 0.425 169 L N 2.631 123.772 121.223 -0.138 0.000 2.433 169 L HA 0.501 4.848 4.340 0.013 0.000 0.284 169 L C 0.463 177.345 176.870 0.019 0.000 1.120 169 L CA 0.016 54.800 54.840 -0.093 0.000 0.879 169 L CB -0.042 41.956 42.059 -0.101 0.000 1.232 169 L HN 0.676 nan 8.230 nan 0.000 0.454 170 R N 4.448 124.976 120.500 0.047 0.000 2.340 170 R HA 0.384 4.732 4.340 0.013 0.000 0.300 170 R C -0.292 176.128 176.300 0.199 0.000 1.069 170 R CA 0.182 56.366 56.100 0.140 0.000 0.984 170 R CB 0.374 30.777 30.300 0.172 0.000 1.003 170 R HN 0.793 nan 8.270 nan 0.000 0.459 171 L N 3.393 124.753 121.223 0.229 0.000 3.122 171 L HA 0.253 4.601 4.340 0.013 0.000 0.274 171 L C 0.355 177.335 176.870 0.184 0.000 1.222 171 L CA -0.277 54.736 54.840 0.288 0.000 1.028 171 L CB 0.535 42.753 42.059 0.264 0.000 1.386 171 L HN 0.620 nan 8.230 nan 0.000 0.578 172 D N 1.638 122.129 120.400 0.150 0.000 2.154 172 D HA -0.189 4.459 4.640 0.013 0.000 0.190 172 D C -0.598 175.686 176.300 -0.027 0.000 1.003 172 D CA 1.729 55.779 54.000 0.084 0.000 0.849 172 D CB -1.159 39.710 40.800 0.114 0.000 0.942 172 D HN 0.215 nan 8.370 nan 0.000 0.446 173 P HA -0.102 nan 4.420 nan 0.000 0.216 173 P C 1.645 178.646 177.300 -0.500 0.000 1.150 173 P CA 0.673 63.519 63.100 -0.423 0.000 0.837 173 P CB 0.051 31.286 31.700 -0.775 0.000 0.786 174 L N -1.524 119.397 121.223 -0.503 0.000 2.044 174 L HA -0.098 4.250 4.340 0.013 0.000 0.205 174 L C 1.943 178.816 176.870 0.005 0.000 1.075 174 L CA 1.973 56.711 54.840 -0.170 0.000 0.747 174 L CB -1.226 40.910 42.059 0.129 0.000 0.903 174 L HN -0.155 nan 8.230 nan 0.000 0.435 175 L N -0.290 120.942 121.223 0.015 0.000 2.162 175 L HA 0.001 4.349 4.340 0.013 0.000 0.205 175 L C 1.862 178.751 176.870 0.032 0.000 1.086 175 L CA 1.164 56.022 54.840 0.031 0.000 0.778 175 L CB -0.843 41.267 42.059 0.085 0.000 0.928 175 L HN 0.337 nan 8.230 nan 0.000 0.446 176 N N -0.664 118.051 118.700 0.026 0.000 2.254 176 N HA 0.049 4.797 4.740 0.013 0.000 0.190 176 N C 0.148 175.669 175.510 0.018 0.000 1.107 176 N CA 0.251 53.323 53.050 0.036 0.000 0.869 176 N CB 0.497 39.014 38.487 0.051 0.000 0.983 176 N HN 0.386 nan 8.380 nan 0.000 0.487 177 E N -0.600 119.592 120.200 -0.012 0.000 3.843 177 E HA 0.068 4.426 4.350 0.013 0.000 0.189 177 E C -0.164 176.411 176.600 -0.042 0.000 1.013 177 E CA -0.197 56.184 56.400 -0.031 0.000 1.395 177 E CB 0.222 29.881 29.700 -0.069 0.000 1.136 177 E HN 0.090 nan 8.360 nan 0.000 0.444 178 Y N 1.981 122.202 120.300 -0.132 0.000 2.165 178 Y HA -0.250 4.308 4.550 0.013 0.000 0.286 178 Y C 2.033 177.846 175.900 -0.145 0.000 1.155 178 Y CA 1.767 59.780 58.100 -0.146 0.000 1.164 178 Y CB 0.383 38.763 38.460 -0.134 0.000 0.978 178 Y HN 0.104 nan 8.280 nan 0.000 0.513 179 E N 0.059 120.200 120.200 -0.098 0.000 2.160 179 E HA -0.240 4.118 4.350 0.013 0.000 0.195 179 E C 1.924 178.391 176.600 -0.222 0.000 0.991 179 E CA 1.717 58.016 56.400 -0.169 0.000 0.810 179 E CB -0.109 29.572 29.700 -0.032 0.000 0.742 179 E HN 0.656 nan 8.360 nan 0.000 0.466 180 Q N -1.088 118.622 119.800 -0.150 0.000 2.226 180 Q HA 0.072 4.420 4.340 0.013 0.000 0.199 180 Q C 2.156 178.057 176.000 -0.165 0.000 0.945 180 Q CA 1.143 56.909 55.803 -0.062 0.000 0.861 180 Q CB -0.228 28.490 28.738 -0.033 0.000 0.953 180 Q HN 0.086 nan 8.270 nan 0.000 0.490 181 T N 2.075 116.468 114.554 -0.267 0.000 2.833 181 T HA -0.156 4.202 4.350 0.013 0.000 0.269 181 T C 1.539 176.003 174.700 -0.395 0.000 1.054 181 T CA 1.503 63.418 62.100 -0.308 0.000 1.135 181 T CB -0.191 68.458 68.868 -0.365 0.000 0.869 181 T HN 0.427 nan 8.240 nan 0.000 0.466 182 K N 0.981 120.967 120.400 -0.691 0.000 2.113 182 K HA -0.228 4.100 4.320 0.013 0.000 0.208 182 K C 1.866 178.189 176.600 -0.462 0.000 1.047 182 K CA 1.689 57.526 56.287 -0.750 0.000 0.928 182 K CB -0.572 31.255 32.500 -1.121 0.000 0.716 182 K HN 0.396 nan 8.250 nan 0.000 0.446 183 H N 1.205 120.116 119.070 -0.266 0.000 2.387 183 H HA 0.016 4.580 4.556 0.013 0.000 0.299 183 H C 2.203 177.373 175.328 -0.264 0.000 1.090 183 H CA 1.432 57.358 56.048 -0.205 0.000 1.332 183 H CB -0.095 29.564 29.762 -0.171 0.000 1.386 183 H HN 0.334 nan 8.280 nan 0.000 0.516 184 R N 0.270 120.609 120.500 -0.269 0.000 2.090 184 R HA -0.005 4.342 4.340 0.013 0.000 0.228 184 R C 2.604 178.441 176.300 -0.772 0.000 1.110 184 R CA 0.504 56.215 56.100 -0.649 0.000 0.973 184 R CB -0.134 29.709 30.300 -0.761 0.000 0.869 184 R HN 0.214 nan 8.270 nan 0.000 0.440 185 L N 0.349 121.377 121.223 -0.324 0.000 2.046 185 L HA -0.188 4.159 4.340 0.013 0.000 0.208 185 L C 2.572 179.557 176.870 0.191 0.000 1.077 185 L CA 1.517 56.398 54.840 0.069 0.000 0.747 185 L CB -0.410 41.667 42.059 0.030 0.000 0.896 185 L HN 0.179 nan 8.230 nan 0.000 0.432 186 R N 0.002 120.523 120.500 0.034 0.000 2.073 186 R HA -0.164 4.184 4.340 0.013 0.000 0.234 186 R C 1.914 178.247 176.300 0.055 0.000 1.134 186 R CA 1.657 57.797 56.100 0.065 0.000 0.952 186 R CB -0.413 29.906 30.300 0.033 0.000 0.850 186 R HN 0.334 nan 8.270 nan 0.000 0.433 187 D N -0.570 119.800 120.400 -0.049 0.000 2.221 187 D HA -0.185 4.463 4.640 0.013 0.000 0.204 187 D C 1.244 177.623 176.300 0.131 0.000 0.982 187 D CA 0.870 54.848 54.000 -0.037 0.000 0.857 187 D CB -0.093 40.606 40.800 -0.168 0.000 0.934 187 D HN 0.350 nan 8.370 nan 0.000 0.475 188 W N 0.054 121.464 121.300 0.184 0.000 3.256 188 W HA 0.355 5.022 4.660 0.013 0.000 0.269 188 W C 1.461 178.008 176.519 0.047 0.000 1.310 188 W CA 0.663 58.135 57.345 0.212 0.000 1.673 188 W CB -0.345 29.378 29.460 0.438 0.000 1.115 188 W HN 0.120 nan 8.180 nan 0.000 0.686 189 G N -0.628 108.276 108.800 0.174 0.000 2.179 189 G HA2 -0.290 3.677 3.960 0.013 0.000 0.220 189 G HA3 -0.290 3.677 3.960 0.013 0.000 0.220 189 G C -0.351 174.442 174.900 -0.179 0.000 0.990 189 G CA -0.468 44.597 45.100 -0.058 0.000 0.646 189 G HN 0.197 nan 8.290 nan 0.000 0.517 190 Y N 1.884 122.318 120.300 0.224 0.000 2.595 190 Y HA 0.439 4.997 4.550 0.013 0.000 0.347 190 Y C 1.223 177.198 175.900 0.126 0.000 1.025 190 Y CA -0.437 57.782 58.100 0.199 0.000 1.295 190 Y CB 0.761 39.389 38.460 0.280 0.000 1.147 190 Y HN 0.033 nan 8.280 nan 0.000 0.515 191 K N 3.438 123.940 120.400 0.170 0.000 2.360 191 K HA 0.111 4.439 4.320 0.013 0.000 0.225 191 K C -0.183 176.483 176.600 0.110 0.000 1.246 191 K CA -0.240 56.114 56.287 0.111 0.000 1.198 191 K CB -0.589 31.950 32.500 0.065 0.000 1.348 191 K HN 0.458 nan 8.250 nan 0.000 0.232 192 V N -0.714 119.280 119.914 0.133 0.000 2.583 192 V HA 0.177 4.305 4.120 0.013 0.000 0.287 192 V C 0.331 176.481 176.094 0.093 0.000 1.051 192 V CA -1.003 61.376 62.300 0.132 0.000 1.010 192 V CB 0.799 32.752 31.823 0.216 0.000 0.988 192 V HN 0.312 nan 8.190 nan 0.000 0.478 193 N N 2.879 121.631 118.700 0.087 0.000 2.405 193 N HA 0.244 4.992 4.740 0.013 0.000 0.269 193 N C 0.548 176.123 175.510 0.108 0.000 1.249 193 N CA -0.439 52.656 53.050 0.076 0.000 0.974 193 N CB 0.788 39.304 38.487 0.049 0.000 1.204 193 N HN 0.732 nan 8.380 nan 0.000 0.565 194 D N -0.039 120.414 120.400 0.088 0.000 2.178 194 D HA -0.086 4.562 4.640 0.013 0.000 0.202 194 D C 0.336 176.722 176.300 0.142 0.000 0.974 194 D CA 1.381 55.438 54.000 0.095 0.000 0.841 194 D CB 0.254 41.098 40.800 0.072 0.000 0.953 194 D HN 0.562 nan 8.370 nan 0.000 0.478 195 E N -0.069 120.215 120.200 0.140 0.000 2.212 195 E HA 0.044 4.402 4.350 0.013 0.000 0.270 195 E C -0.335 176.408 176.600 0.239 0.000 0.956 195 E CA -0.840 55.666 56.400 0.176 0.000 0.825 195 E CB 1.126 30.896 29.700 0.116 0.000 1.167 195 E HN 0.128 nan 8.360 nan 0.000 0.400 196 W N 4.597 125.924 121.300 0.045 0.000 2.510 196 W HA 0.043 4.711 4.660 0.013 0.000 0.388 196 W C -0.972 175.562 176.519 0.026 0.000 1.092 196 W CA -0.133 57.230 57.345 0.030 0.000 1.562 196 W CB -0.006 29.453 29.460 -0.001 0.000 1.603 196 W HN 0.594 nan 8.180 nan 0.000 0.396 197 N N 0.977 119.526 118.700 -0.252 0.000 2.966 197 N HA 0.139 4.887 4.740 0.013 0.000 0.314 197 N C 0.630 175.931 175.510 -0.348 0.000 1.397 197 N CA -0.577 52.342 53.050 -0.219 0.000 0.776 197 N CB 0.266 38.700 38.487 -0.087 0.000 1.576 197 N HN 0.114 nan 8.380 nan 0.000 0.592 198 E N -0.423 119.654 120.200 -0.205 0.000 2.147 198 E HA -0.126 4.232 4.350 0.013 0.000 0.199 198 E C 1.661 178.152 176.600 -0.183 0.000 1.005 198 E CA 2.255 58.548 56.400 -0.178 0.000 0.810 198 E CB -0.924 28.723 29.700 -0.090 0.000 0.736 198 E HN 0.752 nan 8.360 nan 0.000 0.460 199 G N -0.732 107.980 108.800 -0.146 0.000 2.421 199 G HA2 -0.256 3.712 3.960 0.013 0.000 0.216 199 G HA3 -0.256 3.712 3.960 0.013 0.000 0.216 199 G C 1.821 176.639 174.900 -0.137 0.000 1.171 199 G CA 0.971 46.012 45.100 -0.100 0.000 0.775 199 G HN 0.338 nan 8.290 nan 0.000 0.543 200 S N 0.593 116.147 115.700 -0.243 0.000 2.368 200 S HA -0.049 4.429 4.470 0.013 0.000 0.225 200 S C 2.284 176.583 174.600 -0.501 0.000 1.030 200 S CA 0.938 58.958 58.200 -0.299 0.000 0.999 200 S CB -0.232 62.751 63.200 -0.362 0.000 0.844 200 S HN 0.375 nan 8.310 nan 0.000 0.459 201 I N 1.608 121.716 120.570 -0.769 0.000 2.127 201 I HA -0.225 3.953 4.170 0.013 0.000 0.241 201 I C 2.711 178.729 176.117 -0.164 0.000 1.075 201 I CA 1.115 62.077 61.300 -0.563 0.000 1.334 201 I CB -0.371 37.352 38.000 -0.460 0.000 1.040 201 I HN 0.236 nan 8.210 nan 0.000 0.405 202 Q N 0.451 120.183 119.800 -0.113 0.000 2.124 202 Q HA -0.187 4.161 4.340 0.013 0.000 0.202 202 Q C 2.098 178.143 176.000 0.075 0.000 0.977 202 Q CA 1.321 57.121 55.803 -0.004 0.000 0.850 202 Q CB -0.374 28.362 28.738 -0.003 0.000 0.901 202 Q HN 0.506 nan 8.270 nan 0.000 0.429 203 E N 0.004 120.257 120.200 0.088 0.000 2.152 203 E HA -0.068 4.290 4.350 0.013 0.000 0.192 203 E C 2.167 178.931 176.600 0.274 0.000 0.983 203 E CA 0.521 57.057 56.400 0.226 0.000 0.818 203 E CB 0.042 29.877 29.700 0.226 0.000 0.758 203 E HN 0.139 nan 8.360 nan 0.000 0.467 204 V N 1.532 121.561 119.914 0.193 0.000 2.453 204 V HA -0.206 3.921 4.120 0.013 0.000 0.247 204 V C 2.267 178.504 176.094 0.239 0.000 1.048 204 V CA 1.468 63.910 62.300 0.237 0.000 1.049 204 V CB -0.322 31.674 31.823 0.289 0.000 0.672 204 V HN 0.184 nan 8.190 nan 0.000 0.457 205 K N -0.108 120.395 120.400 0.173 0.000 2.057 205 K HA -0.182 4.146 4.320 0.013 0.000 0.207 205 K C 2.424 179.114 176.600 0.150 0.000 1.049 205 K CA 1.408 57.780 56.287 0.141 0.000 0.931 205 K CB -0.254 32.308 32.500 0.103 0.000 0.714 205 K HN 0.262 nan 8.250 nan 0.000 0.440 206 R N 0.271 120.886 120.500 0.191 0.000 2.091 206 R HA -0.176 4.172 4.340 0.013 0.000 0.238 206 R C 2.231 178.668 176.300 0.227 0.000 1.136 206 R CA 1.500 57.738 56.100 0.231 0.000 0.959 206 R CB -0.290 30.209 30.300 0.331 0.000 0.856 206 R HN 0.162 nan 8.270 nan 0.000 0.437 207 F N 1.153 121.079 119.950 -0.041 0.000 2.102 207 F HA -0.181 4.354 4.527 0.013 0.000 0.298 207 F C 1.814 177.592 175.800 -0.037 0.000 1.105 207 F CA 1.501 59.267 58.000 -0.389 0.000 1.239 207 F CB -0.261 38.402 39.000 -0.562 0.000 0.991 207 F HN -0.037 nan 8.300 nan 0.000 0.474 208 L N -0.584 120.680 121.223 0.068 0.000 2.017 208 L HA -0.223 4.125 4.340 0.013 0.000 0.208 208 L C 2.379 179.176 176.870 -0.121 0.000 1.073 208 L CA 1.819 56.645 54.840 -0.023 0.000 0.745 208 L CB -1.323 40.773 42.059 0.062 0.000 0.894 208 L HN 0.127 nan 8.230 nan 0.000 0.432 209 T N -0.854 113.651 114.554 -0.081 0.000 2.720 209 T HA -0.184 4.174 4.350 0.013 0.000 0.268 209 T C 1.457 176.066 174.700 -0.152 0.000 1.037 209 T CA 1.548 63.574 62.100 -0.122 0.000 1.144 209 T CB -0.260 68.608 68.868 0.001 0.000 0.864 209 T HN 0.303 nan 8.240 nan 0.000 0.444 210 D N 0.018 120.323 120.400 -0.159 0.000 2.117 210 D HA -0.071 4.577 4.640 0.013 0.000 0.197 210 D C 1.674 177.699 176.300 -0.459 0.000 0.987 210 D CA 0.934 54.769 54.000 -0.275 0.000 0.829 210 D CB -0.303 40.343 40.800 -0.256 0.000 0.961 210 D HN 0.557 nan 8.370 nan 0.000 0.460 211 W N 0.796 121.833 121.300 -0.438 0.000 2.467 211 W HA 0.127 4.795 4.660 0.013 0.000 0.275 211 W C 2.307 178.593 176.519 -0.389 0.000 1.239 211 W CA 0.002 57.058 57.345 -0.483 0.000 1.266 211 W CB -0.255 28.808 29.460 -0.662 0.000 1.112 211 W HN -0.075 nan 8.180 nan 0.000 0.576 212 I N 0.024 120.502 120.570 -0.153 0.000 2.252 212 I HA -0.280 3.898 4.170 0.013 0.000 0.245 212 I C 2.438 178.463 176.117 -0.155 0.000 1.102 212 I CA 1.538 62.728 61.300 -0.183 0.000 1.385 212 I CB -0.448 37.366 38.000 -0.310 0.000 1.064 212 I HN 0.033 nan 8.210 nan 0.000 0.414 213 E N 1.041 121.142 120.200 -0.165 0.000 2.077 213 E HA -0.267 4.091 4.350 0.013 0.000 0.193 213 E C 2.383 178.913 176.600 -0.115 0.000 0.989 213 E CA 1.099 57.430 56.400 -0.115 0.000 0.800 213 E CB 0.064 29.694 29.700 -0.116 0.000 0.746 213 E HN 0.293 nan 8.360 nan 0.000 0.452 214 R N -0.448 119.932 120.500 -0.200 0.000 2.075 214 R HA -0.018 4.330 4.340 0.013 0.000 0.226 214 R C 2.224 178.487 176.300 -0.061 0.000 1.114 214 R CA 1.349 57.348 56.100 -0.169 0.000 0.972 214 R CB 0.058 30.113 30.300 -0.408 0.000 0.869 214 R HN 0.229 nan 8.270 nan 0.000 0.437 215 M N -0.500 118.978 119.600 -0.203 0.000 2.486 215 M HA 0.025 4.513 4.480 0.013 0.000 0.264 215 M C -0.009 176.272 176.300 -0.033 0.000 1.125 215 M CA 0.436 55.553 55.300 -0.304 0.000 1.144 215 M CB 0.330 32.580 32.600 -0.584 0.000 1.353 215 M HN 0.014 nan 8.290 nan 0.000 0.466 216 D N 1.579 121.959 120.400 -0.034 0.000 2.737 216 D HA -0.090 4.558 4.640 0.013 0.000 0.238 216 D C -2.332 173.989 176.300 0.035 0.000 1.157 216 D CA 0.071 54.083 54.000 0.020 0.000 0.694 216 D CB -0.279 40.567 40.800 0.076 0.000 1.021 216 D HN 0.180 nan 8.370 nan 0.000 0.420 217 P HA 0.066 nan 4.420 nan 0.000 0.275 217 P C 1.377 178.669 177.300 -0.015 0.000 1.228 217 P CA -0.189 62.883 63.100 -0.046 0.000 0.786 217 P CB 1.384 33.015 31.700 -0.115 0.000 0.927 218 V N -0.161 119.732 119.914 -0.035 0.000 2.871 218 V HA 0.048 4.176 4.120 0.013 0.000 0.256 218 V C 0.434 176.571 176.094 0.070 0.000 1.082 218 V CA 0.991 63.309 62.300 0.030 0.000 1.105 218 V CB -1.902 29.983 31.823 0.102 0.000 0.713 218 V HN 0.675 nan 8.190 nan 0.000 0.473 219 Y N -3.540 116.777 120.300 0.029 0.000 2.732 219 Y HA 0.725 5.283 4.550 0.013 0.000 0.342 219 Y C -1.130 174.785 175.900 0.024 0.000 1.203 219 Y CA -2.450 55.657 58.100 0.011 0.000 1.092 219 Y CB 0.676 39.143 38.460 0.013 0.000 1.345 219 Y HN -0.040 nan 8.280 nan 0.000 0.458 220 M N 2.483 122.289 119.600 0.343 0.000 2.363 220 M HA 0.844 5.332 4.480 0.013 0.000 0.343 220 M C -0.421 176.155 176.300 0.461 0.000 1.165 220 M CA -0.680 54.786 55.300 0.277 0.000 1.046 220 M CB 1.942 34.636 32.600 0.157 0.000 1.648 220 M HN 0.937 nan 8.290 nan 0.000 0.452 221 A N 2.293 125.323 122.820 0.349 0.000 2.527 221 A HA 0.953 5.281 4.320 0.013 0.000 0.293 221 A C -1.626 176.065 177.584 0.179 0.000 1.117 221 A CA -0.753 51.427 52.037 0.239 0.000 0.723 221 A CB 2.126 21.267 19.000 0.235 0.000 1.313 221 A HN 0.659 nan 8.150 nan 0.000 0.411 222 V N 0.651 120.583 119.914 0.030 0.000 3.077 222 V HA 0.672 4.800 4.120 0.013 0.000 0.299 222 V C -0.643 175.405 176.094 -0.078 0.000 1.276 222 V CA 0.150 62.471 62.300 0.035 0.000 0.993 222 V CB 2.517 34.403 31.823 0.104 0.000 1.076 222 V HN 1.732 nan 8.190 nan 0.000 0.434 223 S N 6.656 122.367 115.700 0.019 0.000 2.489 223 S HA 0.882 5.360 4.470 0.013 0.000 0.291 223 S C -0.857 173.771 174.600 0.047 0.000 1.151 223 S CA -0.658 57.581 58.200 0.065 0.000 1.082 223 S CB 1.360 64.728 63.200 0.279 0.000 1.019 223 S HN 0.729 nan 8.310 nan 0.000 0.492 224 L N 2.882 124.111 121.223 0.010 0.000 2.354 224 L HA 0.668 5.016 4.340 0.013 0.000 0.264 224 L C -2.328 174.595 176.870 0.088 0.000 1.008 224 L CA -2.711 52.111 54.840 -0.030 0.000 0.819 224 L CB 2.512 44.361 42.059 -0.351 0.000 1.339 224 L HN 0.489 nan 8.230 nan 0.000 0.420 225 P HA 0.222 nan 4.420 nan 0.000 0.276 225 P C -2.482 174.898 177.300 0.133 0.000 1.261 225 P CA -1.612 61.562 63.100 0.123 0.000 0.800 225 P CB 0.564 32.336 31.700 0.120 0.000 1.066 226 P HA -0.103 nan 4.420 nan 0.000 0.220 226 P C 1.292 178.644 177.300 0.087 0.000 1.148 226 P CA 1.943 65.079 63.100 0.060 0.000 0.803 226 P CB -0.590 31.109 31.700 -0.003 0.000 0.782 227 T N -4.877 109.733 114.554 0.094 0.000 3.194 227 T HA 0.035 4.393 4.350 0.013 0.000 0.251 227 T C 0.370 175.134 174.700 0.106 0.000 1.132 227 T CA -0.463 61.682 62.100 0.075 0.000 1.028 227 T CB -1.233 67.666 68.868 0.052 0.000 0.976 227 T HN -0.134 nan 8.240 nan 0.000 0.535 228 F N 4.325 124.291 119.950 0.026 0.000 2.623 228 F HA 0.358 4.893 4.527 0.013 0.000 0.383 228 F C 0.417 176.241 175.800 0.041 0.000 1.077 228 F CA -0.415 57.608 58.000 0.039 0.000 1.268 228 F CB 0.212 39.238 39.000 0.043 0.000 1.053 228 F HN 0.344 nan 8.300 nan 0.000 0.571 229 S N 6.126 121.311 115.700 -0.859 0.000 2.579 229 S HA 0.808 5.285 4.470 0.013 0.000 0.272 229 S C -1.377 172.787 174.600 -0.726 0.000 1.141 229 S CA -0.823 56.963 58.200 -0.691 0.000 0.843 229 S CB 2.182 65.198 63.200 -0.307 0.000 1.122 229 S HN 0.808 nan 8.310 nan 0.000 0.468 230 F N 1.678 121.263 119.950 -0.609 0.000 2.654 230 F HA 0.623 5.158 4.527 0.013 0.000 0.314 230 F C -2.791 172.732 175.800 -0.460 0.000 1.116 230 F CA -1.280 56.453 58.000 -0.445 0.000 1.017 230 F CB 1.875 40.673 39.000 -0.336 0.000 1.285 230 F HN 0.598 nan 8.300 nan 0.000 0.448 231 P HA 0.237 nan 4.420 nan 0.000 0.273 231 P C -1.569 175.267 177.300 -0.774 0.000 1.250 231 P CA -0.014 62.182 63.100 -1.505 0.000 0.793 231 P CB 1.573 32.642 31.700 -1.053 0.000 1.011 232 E N -0.071 119.729 120.200 -0.666 0.000 2.388 232 E HA 0.099 4.457 4.350 0.013 0.000 0.289 232 E C -0.895 175.536 176.600 -0.281 0.000 0.944 232 E CA -0.392 55.790 56.400 -0.363 0.000 0.792 232 E CB 1.172 30.706 29.700 -0.278 0.000 1.239 232 E HN 0.232 nan 8.360 nan 0.000 0.412 233 E N 2.383 122.460 120.200 -0.204 0.000 1.972 233 E HA 0.142 4.500 4.350 0.013 0.000 0.292 233 E C -0.626 175.884 176.600 -0.150 0.000 1.193 233 E CA 0.100 56.402 56.400 -0.163 0.000 1.228 233 E CB 0.248 29.881 29.700 -0.112 0.000 1.167 233 E HN 0.462 nan 8.360 nan 0.000 0.479 234 S N -0.279 115.311 115.700 -0.184 0.000 2.697 234 S HA 0.339 4.817 4.470 0.013 0.000 0.289 234 S C 0.798 175.242 174.600 -0.260 0.000 1.149 234 S CA -0.847 57.255 58.200 -0.163 0.000 0.850 234 S CB 1.181 64.316 63.200 -0.108 0.000 1.151 234 S HN 0.196 nan 8.310 nan 0.000 0.491 235 N N 0.529 119.080 118.700 -0.248 0.000 2.069 235 N HA -0.132 4.616 4.740 0.013 0.000 0.191 235 N C 2.040 177.296 175.510 -0.424 0.000 1.031 235 N CA 1.265 54.059 53.050 -0.426 0.000 0.852 235 N CB -0.242 38.108 38.487 -0.227 0.000 1.018 235 N HN 0.587 nan 8.380 nan 0.000 0.423 236 R N 0.828 121.216 120.500 -0.187 0.000 2.070 236 R HA -0.112 4.236 4.340 0.013 0.000 0.233 236 R C 2.310 178.598 176.300 -0.020 0.000 1.137 236 R CA 1.775 57.839 56.100 -0.061 0.000 0.945 236 R CB -0.642 29.710 30.300 0.086 0.000 0.845 236 R HN 0.258 nan 8.270 nan 0.000 0.430 237 G N 0.638 109.418 108.800 -0.034 0.000 2.440 237 G HA2 -0.272 3.696 3.960 0.013 0.000 0.218 237 G HA3 -0.272 3.696 3.960 0.013 0.000 0.218 237 G C 1.515 176.368 174.900 -0.078 0.000 1.154 237 G CA 0.725 45.813 45.100 -0.021 0.000 0.767 237 G HN 0.347 nan 8.290 nan 0.000 0.552 238 R N -0.301 120.026 120.500 -0.288 0.000 2.073 238 R HA 0.147 4.495 4.340 0.013 0.000 0.229 238 R C 2.610 178.739 176.300 -0.286 0.000 1.120 238 R CA 0.843 56.713 56.100 -0.385 0.000 0.967 238 R CB -0.322 29.424 30.300 -0.924 0.000 0.862 238 R HN 0.377 nan 8.270 nan 0.000 0.436 239 I N 0.702 121.009 120.570 -0.438 0.000 2.226 239 I HA -0.274 3.904 4.170 0.013 0.000 0.245 239 I C 2.245 178.357 176.117 -0.008 0.000 1.100 239 I CA 1.343 62.524 61.300 -0.199 0.000 1.374 239 I CB -0.213 37.610 38.000 -0.295 0.000 1.057 239 I HN 0.125 nan 8.210 nan 0.000 0.413 240 I N 0.295 120.874 120.570 0.016 0.000 2.179 240 I HA -0.299 3.879 4.170 0.013 0.000 0.242 240 I C 2.833 178.970 176.117 0.033 0.000 1.088 240 I CA 1.360 62.667 61.300 0.011 0.000 1.357 240 I CB -0.439 37.653 38.000 0.153 0.000 1.051 240 I HN 0.209 nan 8.210 nan 0.000 0.409 241 R N 0.911 121.545 120.500 0.222 0.000 2.066 241 R HA -0.173 4.175 4.340 0.013 0.000 0.232 241 R C 1.507 177.914 176.300 0.178 0.000 1.131 241 R CA 1.975 58.224 56.100 0.248 0.000 0.955 241 R CB -0.068 30.427 30.300 0.326 0.000 0.851 241 R HN 0.307 nan 8.270 nan 0.000 0.432 242 D N -1.139 119.391 120.400 0.217 0.000 2.333 242 D HA 0.019 4.667 4.640 0.013 0.000 0.208 242 D C 1.277 177.691 176.300 0.190 0.000 0.984 242 D CA 0.505 54.653 54.000 0.246 0.000 0.873 242 D CB 0.409 41.456 40.800 0.412 0.000 0.935 242 D HN 0.307 nan 8.370 nan 0.000 0.521 243 C N -0.469 118.927 119.300 0.160 0.000 2.726 243 C HA 0.196 4.664 4.460 0.013 0.000 0.380 243 C C 2.291 177.292 174.990 0.018 0.000 1.691 243 C CA -0.419 58.668 59.018 0.114 0.000 2.388 243 C CB -0.335 27.515 27.740 0.183 0.000 2.227 243 C HN 0.189 nan 8.230 nan 0.000 0.647 244 L N 1.913 123.102 121.223 -0.058 0.000 1.955 244 L HA -0.113 4.235 4.340 0.013 0.000 0.213 244 L C 2.283 179.000 176.870 -0.254 0.000 1.072 244 L CA 2.192 56.904 54.840 -0.212 0.000 0.755 244 L CB -1.338 40.473 42.059 -0.414 0.000 0.888 244 L HN 0.410 nan 8.230 nan 0.000 0.432 245 L N -0.238 120.820 121.223 -0.275 0.000 1.990 245 L HA -0.224 4.124 4.340 0.013 0.000 0.213 245 L C 0.066 176.873 176.870 -0.105 0.000 1.072 245 L CA 1.663 56.350 54.840 -0.255 0.000 0.755 245 L CB -2.132 39.711 42.059 -0.360 0.000 0.889 245 L HN 0.244 nan 8.230 nan 0.000 0.432 246 P HA -0.143 nan 4.420 nan 0.000 0.215 246 P C 1.995 179.314 177.300 0.031 0.000 1.157 246 P CA 1.199 64.317 63.100 0.031 0.000 0.868 246 P CB 0.047 31.783 31.700 0.059 0.000 0.788 247 V N 0.027 119.959 119.914 0.030 0.000 2.343 247 V HA -0.256 3.872 4.120 0.013 0.000 0.247 247 V C 2.425 178.582 176.094 0.105 0.000 1.051 247 V CA 2.269 64.622 62.300 0.088 0.000 1.036 247 V CB -1.695 30.152 31.823 0.040 0.000 0.654 247 V HN 0.101 nan 8.190 nan 0.000 0.451 248 A N -0.773 122.035 122.820 -0.021 0.000 1.969 248 A HA -0.242 4.086 4.320 0.013 0.000 0.218 248 A C 2.283 179.851 177.584 -0.026 0.000 1.169 248 A CA 1.847 53.854 52.037 -0.049 0.000 0.635 248 A CB -0.405 18.496 19.000 -0.165 0.000 0.810 248 A HN 0.630 nan 8.150 nan 0.000 0.445 249 E N -0.100 120.084 120.200 -0.028 0.000 2.046 249 E HA -0.207 4.151 4.350 0.013 0.000 0.190 249 E C 2.064 178.654 176.600 -0.017 0.000 0.982 249 E CA 1.302 57.687 56.400 -0.025 0.000 0.800 249 E CB -0.145 29.557 29.700 0.003 0.000 0.756 249 E HN 0.601 nan 8.360 nan 0.000 0.449 250 K N -0.323 120.076 120.400 -0.001 0.000 2.044 250 K HA -0.206 4.122 4.320 0.013 0.000 0.210 250 K C 1.458 177.944 176.600 -0.190 0.000 1.049 250 K CA 1.960 58.192 56.287 -0.090 0.000 0.927 250 K CB -0.135 32.304 32.500 -0.102 0.000 0.713 250 K HN 0.245 nan 8.250 nan 0.000 0.443 251 H N -0.438 118.609 119.070 -0.039 0.000 2.526 251 H HA 0.168 4.732 4.556 0.013 0.000 0.274 251 H C -0.193 175.104 175.328 -0.052 0.000 0.999 251 H CA 0.446 56.471 56.048 -0.039 0.000 1.157 251 H CB -0.093 29.648 29.762 -0.034 0.000 1.407 251 H HN 0.360 nan 8.280 nan 0.000 0.568 252 N N 0.923 119.631 118.700 0.014 0.000 2.727 252 N HA -0.163 4.585 4.740 0.013 0.000 0.249 252 N C -0.988 174.489 175.510 -0.054 0.000 1.048 252 N CA -0.300 52.723 53.050 -0.045 0.000 0.714 252 N CB -0.587 37.865 38.487 -0.058 0.000 0.959 252 N HN 0.159 nan 8.380 nan 0.000 0.544 253 I N 1.525 122.077 120.570 -0.031 0.000 2.336 253 I HA 0.395 4.573 4.170 0.013 0.000 0.292 253 I C -1.757 174.320 176.117 -0.067 0.000 0.991 253 I CA -2.029 59.253 61.300 -0.029 0.000 1.227 253 I CB 0.952 38.955 38.000 0.004 0.000 1.366 253 I HN 0.045 nan 8.210 nan 0.000 0.466 254 P HA 0.159 nan 4.420 nan 0.000 0.274 254 P C -0.924 176.417 177.300 0.068 0.000 1.237 254 P CA -0.290 62.766 63.100 -0.073 0.000 0.793 254 P CB 0.959 32.629 31.700 -0.050 0.000 0.977 255 F N 1.652 121.470 119.950 -0.220 0.000 2.388 255 F HA 0.573 5.108 4.527 0.014 0.000 0.358 255 F C -0.653 175.106 175.800 -0.069 0.000 1.122 255 F CA -1.699 56.217 58.000 -0.141 0.000 1.056 255 F CB 0.657 39.519 39.000 -0.231 0.000 1.155 255 F HN 0.356 nan 8.300 nan 0.000 0.461 256 A N 8.073 130.769 122.820 -0.206 0.000 2.274 256 A HA 0.720 5.048 4.320 0.013 0.000 0.309 256 A C -0.699 176.529 177.584 -0.593 0.000 1.226 256 A CA -0.600 51.180 52.037 -0.428 0.000 0.853 256 A CB 0.315 18.923 19.000 -0.654 0.000 1.146 256 A HN 0.801 nan 8.150 nan 0.000 0.518 257 M N 3.438 122.720 119.600 -0.531 0.000 2.190 257 M HA 0.393 4.880 4.480 0.013 0.000 0.312 257 M C -0.847 175.194 176.300 -0.431 0.000 0.990 257 M CA 0.214 55.173 55.300 -0.568 0.000 0.927 257 M CB 1.745 33.974 32.600 -0.618 0.000 1.571 257 M HN 0.619 nan 8.290 nan 0.000 0.427 258 M N 5.468 124.796 119.600 -0.453 0.000 2.060 258 M HA 0.504 4.992 4.480 0.013 0.000 0.342 258 M C -0.947 175.226 176.300 -0.213 0.000 1.031 258 M CA -0.263 54.647 55.300 -0.650 0.000 0.981 258 M CB 0.417 32.342 32.600 -1.124 0.000 1.376 258 M HN 0.597 nan 8.290 nan 0.000 0.397 259 I N 1.293 121.831 120.570 -0.053 0.000 2.428 259 I HA 0.612 4.790 4.170 0.013 0.000 0.296 259 I C 1.085 177.360 176.117 0.264 0.000 0.985 259 I CA -0.104 61.249 61.300 0.088 0.000 1.260 259 I CB 1.699 39.694 38.000 -0.009 0.000 1.389 259 I HN 0.968 nan 8.210 nan 0.000 0.484 260 G N 3.829 112.738 108.800 0.182 0.000 2.205 260 G HA2 -0.191 3.777 3.960 0.013 0.000 0.180 260 G HA3 -0.191 3.777 3.960 0.013 0.000 0.180 260 G C -0.187 174.711 174.900 -0.003 0.000 1.004 260 G CA -0.214 44.937 45.100 0.085 0.000 0.670 260 G HN 0.509 nan 8.290 nan 0.000 0.496 261 V N 1.527 121.489 119.914 0.081 0.000 2.432 261 V HA 0.653 4.781 4.120 0.013 0.000 0.271 261 V C 0.449 176.567 176.094 0.040 0.000 1.046 261 V CA -0.209 62.092 62.300 0.002 0.000 0.945 261 V CB 1.281 33.208 31.823 0.172 0.000 0.992 261 V HN 0.279 nan 8.190 nan 0.000 0.471 262 K N 7.037 127.434 120.400 -0.005 0.000 2.299 262 K HA 0.366 4.694 4.320 0.013 0.000 0.268 262 K C -0.153 176.511 176.600 0.107 0.000 1.075 262 K CA -0.710 55.614 56.287 0.061 0.000 0.936 262 K CB 0.372 32.914 32.500 0.071 0.000 1.228 262 K HN 0.571 nan 8.250 nan 0.000 0.454 263 K N 3.093 123.564 120.400 0.118 0.000 2.355 263 K HA 0.021 4.348 4.320 0.013 0.000 0.270 263 K C -0.028 176.642 176.600 0.117 0.000 1.003 263 K CA 0.105 56.473 56.287 0.134 0.000 0.957 263 K CB 0.403 32.981 32.500 0.129 0.000 0.939 263 K HN 0.637 nan 8.250 nan 0.000 0.482 264 R N -0.200 120.374 120.500 0.123 0.000 3.225 264 R HA -0.172 4.176 4.340 0.013 0.000 0.245 264 R C 1.125 177.484 176.300 0.097 0.000 0.928 264 R CA 0.525 56.691 56.100 0.109 0.000 0.632 264 R CB -2.342 28.010 30.300 0.087 0.000 1.038 264 R HN 0.582 nan 8.270 nan 0.000 0.461 265 V N -3.527 116.446 119.914 0.099 0.000 2.871 265 V HA -0.038 4.090 4.120 0.013 0.000 0.256 265 V C 0.982 177.102 176.094 0.043 0.000 1.082 265 V CA 1.436 63.761 62.300 0.041 0.000 1.105 265 V CB -0.143 31.668 31.823 -0.020 0.000 0.713 265 V HN 0.491 nan 8.190 nan 0.000 0.473 266 H N 0.740 119.806 119.070 -0.005 0.000 2.448 266 H HA 0.451 5.015 4.556 0.013 0.000 0.237 266 H C -2.324 173.031 175.328 0.046 0.000 1.391 266 H CA -2.696 53.354 56.048 0.002 0.000 1.477 266 H CB 1.495 31.249 29.762 -0.014 0.000 1.520 266 H HN 0.158 nan 8.280 nan 0.000 0.502 267 P HA -0.208 nan 4.420 nan 0.000 0.217 267 P C 1.404 178.794 177.300 0.151 0.000 1.158 267 P CA 2.375 65.571 63.100 0.159 0.000 0.887 267 P CB 0.198 31.968 31.700 0.118 0.000 0.792 268 A N -1.035 121.920 122.820 0.225 0.000 2.076 268 A HA -0.165 4.163 4.320 0.013 0.000 0.220 268 A C 2.084 179.799 177.584 0.220 0.000 1.160 268 A CA 1.332 53.489 52.037 0.201 0.000 0.653 268 A CB -1.580 17.575 19.000 0.257 0.000 0.801 268 A HN 0.178 nan 8.150 nan 0.000 0.455 269 L N -1.580 119.648 121.223 0.009 0.000 2.552 269 L HA 0.143 4.491 4.340 0.013 0.000 0.227 269 L C 1.828 178.873 176.870 0.291 0.000 1.146 269 L CA 0.321 55.223 54.840 0.103 0.000 0.858 269 L CB -0.839 41.119 42.059 -0.168 0.000 0.969 269 L HN 0.656 nan 8.230 nan 0.000 0.451 270 G N 0.756 109.634 108.800 0.131 0.000 2.556 270 G HA2 -0.382 3.586 3.960 0.013 0.000 0.283 270 G HA3 -0.382 3.586 3.960 0.013 0.000 0.283 270 G C 0.465 175.379 174.900 0.023 0.000 1.177 270 G CA 0.328 45.438 45.100 0.016 0.000 0.978 270 G HN 0.253 nan 8.290 nan 0.000 0.554 271 D N 1.248 121.631 120.400 -0.028 0.000 2.311 271 D HA 0.145 4.793 4.640 0.013 0.000 0.212 271 D C 2.356 178.425 176.300 -0.385 0.000 0.972 271 D CA 1.562 55.433 54.000 -0.216 0.000 0.887 271 D CB -0.427 40.191 40.800 -0.302 0.000 0.915 271 D HN 0.850 nan 8.370 nan 0.000 0.497 272 A N 0.099 122.886 122.820 -0.055 0.000 2.307 272 A HA 0.346 4.674 4.320 0.013 0.000 0.218 272 A C 1.887 179.555 177.584 0.141 0.000 1.228 272 A CA 0.426 52.545 52.037 0.135 0.000 0.857 272 A CB 0.012 19.158 19.000 0.243 0.000 0.897 272 A HN 0.187 nan 8.150 nan 0.000 0.495 273 G N -0.534 108.334 108.800 0.113 0.000 3.284 273 G HA2 0.235 4.203 3.960 0.013 0.000 0.236 273 G HA3 0.235 4.203 3.960 0.013 0.000 0.236 273 G C -0.422 174.577 174.900 0.165 0.000 1.158 273 G CA -0.176 45.003 45.100 0.131 0.000 0.774 273 G HN 0.314 nan 8.290 nan 0.000 0.545 274 D N 0.026 120.559 120.400 0.221 0.000 2.225 274 D HA 0.467 5.115 4.640 0.013 0.000 0.249 274 D C -0.713 175.691 176.300 0.174 0.000 1.052 274 D CA -0.322 53.800 54.000 0.204 0.000 0.909 274 D CB 2.071 43.038 40.800 0.278 0.000 1.186 274 D HN -0.022 nan 8.370 nan 0.000 0.431 275 F N 1.126 121.017 119.950 -0.097 0.000 2.629 275 F HA 0.628 5.163 4.527 0.013 0.000 0.386 275 F C -0.767 174.899 175.800 -0.223 0.000 1.135 275 F CA -1.248 56.622 58.000 -0.216 0.000 1.116 275 F CB 1.155 40.056 39.000 -0.165 0.000 1.426 275 F HN 0.083 nan 8.300 nan 0.000 0.501 276 V N 0.493 119.771 119.914 -1.061 0.000 3.040 276 V HA 0.942 5.070 4.120 0.013 0.000 0.312 276 V C -0.915 174.676 176.094 -0.839 0.000 1.115 276 V CA -0.047 61.787 62.300 -0.775 0.000 0.998 276 V CB 1.781 33.234 31.823 -0.617 0.000 1.042 276 V HN 1.099 nan 8.190 nan 0.000 0.433 277 G N 2.827 111.375 108.800 -0.419 0.000 2.733 277 G HA2 0.445 4.413 3.960 0.013 0.000 0.297 277 G HA3 0.445 4.413 3.960 0.013 0.000 0.297 277 G C -1.635 173.173 174.900 -0.153 0.000 1.422 277 G CA -0.817 44.113 45.100 -0.284 0.000 0.942 277 G HN 0.886 nan 8.290 nan 0.000 0.510 278 K N 0.639 120.970 120.400 -0.115 0.000 2.350 278 K HA 0.602 4.930 4.320 0.013 0.000 0.279 278 K C 0.312 176.899 176.600 -0.022 0.000 1.027 278 K CA -0.192 56.059 56.287 -0.059 0.000 0.969 278 K CB 0.888 33.358 32.500 -0.050 0.000 0.954 278 K HN 0.627 nan 8.250 nan 0.000 0.474 279 A N 2.492 125.316 122.820 0.007 0.000 2.299 279 A HA 0.365 4.693 4.320 0.013 0.000 0.332 279 A C -0.579 177.026 177.584 0.034 0.000 1.131 279 A CA -0.651 51.410 52.037 0.039 0.000 0.844 279 A CB 1.431 20.481 19.000 0.083 0.000 1.251 279 A HN 0.718 nan 8.150 nan 0.000 0.486 280 S N 0.028 115.752 115.700 0.039 0.000 2.584 280 S HA 0.360 4.838 4.470 0.013 0.000 0.273 280 S C 0.807 175.433 174.600 0.042 0.000 1.311 280 S CA -0.531 57.685 58.200 0.026 0.000 1.034 280 S CB 0.219 63.424 63.200 0.008 0.000 0.939 280 S HN 0.496 nan 8.310 nan 0.000 0.513 281 M N 2.674 122.295 119.600 0.036 0.000 2.556 281 M HA 0.100 4.588 4.480 0.013 0.000 0.245 281 M C 0.815 177.142 176.300 0.044 0.000 1.128 281 M CA 0.364 55.690 55.300 0.043 0.000 1.069 281 M CB -1.376 31.247 32.600 0.038 0.000 1.469 281 M HN 0.602 nan 8.290 nan 0.000 0.494 282 D N 1.033 121.454 120.400 0.034 0.000 2.116 282 D HA -0.139 4.509 4.640 0.013 0.000 0.193 282 D C 2.071 178.403 176.300 0.053 0.000 0.998 282 D CA 1.863 55.886 54.000 0.039 0.000 0.836 282 D CB -0.529 40.280 40.800 0.014 0.000 0.951 282 D HN 0.429 nan 8.370 nan 0.000 0.449 283 G N 0.419 109.224 108.800 0.008 0.000 2.418 283 G HA2 -0.198 3.770 3.960 0.013 0.000 0.217 283 G HA3 -0.198 3.770 3.960 0.013 0.000 0.217 283 G C 1.850 176.799 174.900 0.083 0.000 1.158 283 G CA 0.943 46.049 45.100 0.009 0.000 0.771 283 G HN 0.266 nan 8.290 nan 0.000 0.545 284 V N 0.725 120.679 119.914 0.067 0.000 2.358 284 V HA -0.159 3.969 4.120 0.013 0.000 0.246 284 V C 2.554 178.562 176.094 -0.143 0.000 1.047 284 V CA 2.143 64.413 62.300 -0.049 0.000 1.035 284 V CB -0.406 31.399 31.823 -0.029 0.000 0.658 284 V HN 0.565 nan 8.190 nan 0.000 0.452 285 E N -0.219 119.952 120.200 -0.048 0.000 2.058 285 E HA -0.319 4.038 4.350 0.013 0.000 0.194 285 E C 2.343 178.853 176.600 -0.149 0.000 0.997 285 E CA 1.647 58.006 56.400 -0.069 0.000 0.801 285 E CB -0.275 29.462 29.700 0.061 0.000 0.746 285 E HN 0.740 nan 8.360 nan 0.000 0.450 286 H N 0.892 119.914 119.070 -0.081 0.000 2.321 286 H HA -0.113 4.451 4.556 0.013 0.000 0.300 286 H C 2.327 177.635 175.328 -0.033 0.000 1.087 286 H CA 1.652 57.694 56.048 -0.010 0.000 1.319 286 H CB -0.266 29.574 29.762 0.129 0.000 1.379 286 H HN 0.217 nan 8.280 nan 0.000 0.501 287 L N 0.228 121.508 121.223 0.095 0.000 2.042 287 L HA -0.217 4.131 4.340 0.013 0.000 0.210 287 L C 3.021 179.722 176.870 -0.281 0.000 1.076 287 L CA 0.958 55.760 54.840 -0.063 0.000 0.749 287 L CB -0.427 41.324 42.059 -0.513 0.000 0.893 287 L HN 0.215 nan 8.230 nan 0.000 0.432 288 L N -0.728 120.131 121.223 -0.606 0.000 2.017 288 L HA -0.227 4.121 4.340 0.013 0.000 0.208 288 L C 2.838 179.320 176.870 -0.647 0.000 1.073 288 L CA 1.363 55.799 54.840 -0.672 0.000 0.745 288 L CB -0.510 40.967 42.059 -0.970 0.000 0.894 288 L HN 0.257 nan 8.230 nan 0.000 0.432 289 R N 0.040 120.053 120.500 -0.812 0.000 2.062 289 R HA -0.119 4.229 4.340 0.013 0.000 0.229 289 R C 1.979 178.129 176.300 -0.250 0.000 1.128 289 R CA 1.143 56.973 56.100 -0.449 0.000 0.960 289 R CB 0.076 30.214 30.300 -0.270 0.000 0.855 289 R HN 0.234 nan 8.270 nan 0.000 0.432 290 E N -0.253 119.738 120.200 -0.347 0.000 2.427 290 E HA -0.093 4.265 4.350 0.013 0.000 0.196 290 E C -0.212 175.982 176.600 -0.677 0.000 1.028 290 E CA 0.676 56.782 56.400 -0.490 0.000 0.864 290 E CB 0.274 29.579 29.700 -0.658 0.000 0.813 290 E HN 0.440 nan 8.360 nan 0.000 0.514 291 Y N 0.558 120.881 120.300 0.039 0.000 2.495 291 Y HA 0.208 4.766 4.550 0.013 0.000 0.362 291 Y C -1.580 174.413 175.900 0.155 0.000 0.956 291 Y CA -2.071 56.111 58.100 0.136 0.000 1.127 291 Y CB 1.107 39.720 38.460 0.256 0.000 1.173 291 Y HN -0.041 nan 8.280 nan 0.000 0.639 292 P HA -0.146 nan 4.420 nan 0.000 0.221 292 P C 0.106 177.482 177.300 0.127 0.000 1.145 292 P CA 1.443 64.624 63.100 0.135 0.000 0.795 292 P CB 0.392 32.142 31.700 0.083 0.000 0.775 293 N N -1.026 117.743 118.700 0.115 0.000 2.336 293 N HA 0.048 4.796 4.740 0.013 0.000 0.189 293 N C 0.408 175.936 175.510 0.029 0.000 1.113 293 N CA -0.139 52.949 53.050 0.063 0.000 0.858 293 N CB -0.019 38.500 38.487 0.053 0.000 0.970 293 N HN 0.133 nan 8.380 nan 0.000 0.471 294 N N 0.932 119.671 118.700 0.065 0.000 2.417 294 N HA 0.256 5.004 4.740 0.013 0.000 0.300 294 N C -0.757 174.627 175.510 -0.211 0.000 1.102 294 N CA -0.193 52.779 53.050 -0.130 0.000 0.886 294 N CB 1.572 39.942 38.487 -0.195 0.000 1.203 294 N HN -0.029 nan 8.380 nan 0.000 0.496 295 K N 1.281 121.440 120.400 -0.402 0.000 2.182 295 K HA 0.479 4.807 4.320 0.013 0.000 0.262 295 K C -1.118 175.286 176.600 -0.326 0.000 0.957 295 K CA -0.386 55.738 56.287 -0.272 0.000 0.842 295 K CB 1.306 33.471 32.500 -0.559 0.000 1.099 295 K HN 0.349 nan 8.250 nan 0.000 0.438 296 F N 2.553 122.694 119.950 0.319 0.000 2.518 296 F HA 0.386 4.921 4.527 0.013 0.000 0.323 296 F C -0.352 175.557 175.800 0.183 0.000 1.129 296 F CA -0.859 57.263 58.000 0.203 0.000 0.920 296 F CB 1.185 40.240 39.000 0.091 0.000 1.160 296 F HN 0.115 nan 8.300 nan 0.000 0.440 297 L N 4.497 125.839 121.223 0.197 0.000 2.272 297 L HA 0.736 5.084 4.340 0.013 0.000 0.289 297 L C -0.848 176.089 176.870 0.113 0.000 1.032 297 L CA -0.736 54.140 54.840 0.059 0.000 0.810 297 L CB 1.489 43.410 42.059 -0.231 0.000 1.205 297 L HN 0.362 nan 8.230 nan 0.000 0.422 298 V N 2.105 122.092 119.914 0.122 0.000 2.789 298 V HA 0.621 4.749 4.120 0.013 0.000 0.311 298 V C -0.314 175.534 176.094 -0.410 0.000 1.073 298 V CA -0.477 61.766 62.300 -0.094 0.000 0.921 298 V CB 2.333 34.092 31.823 -0.106 0.000 1.009 298 V HN 0.733 nan 8.190 nan 0.000 0.426 299 T N 5.280 119.462 114.554 -0.621 0.000 2.933 299 T HA 0.720 5.078 4.350 0.013 0.000 0.305 299 T C -1.036 173.491 174.700 -0.288 0.000 1.092 299 T CA -0.391 61.287 62.100 -0.703 0.000 1.008 299 T CB 1.231 69.294 68.868 -1.343 0.000 1.102 299 T HN 0.551 nan 8.240 nan 0.000 0.469 300 M N 4.191 123.766 119.600 -0.040 0.000 2.535 300 M HA 0.463 4.951 4.480 0.013 0.000 0.314 300 M C 0.185 176.668 176.300 0.305 0.000 1.153 300 M CA -0.863 54.525 55.300 0.146 0.000 0.924 300 M CB 2.237 34.863 32.600 0.043 0.000 1.710 300 M HN 0.492 nan 8.290 nan 0.000 0.451 301 L N 0.741 122.150 121.223 0.310 0.000 2.270 301 L HA 0.201 4.549 4.340 0.013 0.000 0.210 301 L C 0.944 177.804 176.870 -0.018 0.000 1.104 301 L CA 1.233 56.113 54.840 0.067 0.000 0.804 301 L CB 0.204 42.133 42.059 -0.218 0.000 0.937 301 L HN 0.691 nan 8.230 nan 0.000 0.450 302 S N -0.643 115.044 115.700 -0.021 0.000 2.523 302 S HA 0.111 4.589 4.470 0.013 0.000 0.275 302 S C 1.429 176.013 174.600 -0.028 0.000 1.281 302 S CA -0.448 57.715 58.200 -0.061 0.000 1.050 302 S CB 0.739 63.893 63.200 -0.075 0.000 0.937 302 S HN 0.366 nan 8.310 nan 0.000 0.492 303 R N 2.488 122.965 120.500 -0.039 0.000 2.120 303 R HA -0.091 4.256 4.340 0.013 0.000 0.234 303 R C 0.753 177.046 176.300 -0.013 0.000 1.123 303 R CA 1.710 57.800 56.100 -0.018 0.000 0.975 303 R CB -0.127 30.158 30.300 -0.026 0.000 0.866 303 R HN 0.638 nan 8.270 nan 0.000 0.446 304 E N -0.342 119.843 120.200 -0.025 0.000 2.511 304 E HA -0.036 4.322 4.350 0.013 0.000 0.196 304 E C 0.659 177.260 176.600 0.002 0.000 1.066 304 E CA 0.677 57.068 56.400 -0.015 0.000 0.871 304 E CB 0.022 29.705 29.700 -0.029 0.000 0.863 304 E HN 0.470 nan 8.360 nan 0.000 0.520 305 N N -0.613 118.088 118.700 0.001 0.000 2.282 305 N HA -0.024 4.723 4.740 0.013 0.000 0.185 305 N C 1.254 176.767 175.510 0.005 0.000 1.099 305 N CA -0.136 52.919 53.050 0.008 0.000 0.878 305 N CB 0.372 38.862 38.487 0.006 0.000 0.993 305 N HN -0.032 nan 8.380 nan 0.000 0.481 306 Q N 0.533 120.337 119.800 0.007 0.000 2.030 306 Q HA -0.226 4.122 4.340 0.013 0.000 0.204 306 Q C 1.815 177.800 176.000 -0.025 0.000 0.986 306 Q CA 1.474 57.270 55.803 -0.011 0.000 0.843 306 Q CB -0.839 27.897 28.738 -0.003 0.000 0.904 306 Q HN 0.579 nan 8.270 nan 0.000 0.420 307 H N 1.579 120.619 119.070 -0.051 0.000 2.321 307 H HA -0.117 4.447 4.556 0.013 0.000 0.300 307 H C 1.791 177.089 175.328 -0.049 0.000 1.087 307 H CA 1.893 57.907 56.048 -0.056 0.000 1.319 307 H CB 0.305 30.039 29.762 -0.047 0.000 1.379 307 H HN 0.498 nan 8.280 nan 0.000 0.501 308 E N 0.504 120.699 120.200 -0.008 0.000 2.204 308 E HA -0.156 4.202 4.350 0.013 0.000 0.195 308 E C 2.424 178.964 176.600 -0.100 0.000 0.990 308 E CA 0.939 57.312 56.400 -0.045 0.000 0.821 308 E CB -0.448 29.278 29.700 0.043 0.000 0.750 308 E HN 0.333 nan 8.360 nan 0.000 0.477 309 L N 1.464 122.632 121.223 -0.092 0.000 2.093 309 L HA -0.121 4.227 4.340 0.013 0.000 0.208 309 L C 2.293 179.085 176.870 -0.129 0.000 1.085 309 L CA 1.212 56.001 54.840 -0.086 0.000 0.755 309 L CB -0.193 41.818 42.059 -0.080 0.000 0.904 309 L HN 0.004 nan 8.230 nan 0.000 0.435 310 V N -1.202 118.587 119.914 -0.208 0.000 2.343 310 V HA -0.256 3.872 4.120 0.013 0.000 0.247 310 V C 2.491 178.450 176.094 -0.225 0.000 1.051 310 V CA 1.611 63.764 62.300 -0.246 0.000 1.036 310 V CB -0.501 31.126 31.823 -0.326 0.000 0.654 310 V HN 0.345 nan 8.190 nan 0.000 0.451 311 V N -0.364 119.383 119.914 -0.278 0.000 2.407 311 V HA -0.231 3.896 4.120 0.013 0.000 0.248 311 V C 2.359 178.392 176.094 -0.103 0.000 1.055 311 V CA 1.879 64.062 62.300 -0.195 0.000 1.049 311 V CB -0.579 31.137 31.823 -0.179 0.000 0.662 311 V HN 0.484 nan 8.190 nan 0.000 0.455 312 L N 0.818 122.007 121.223 -0.057 0.000 2.131 312 L HA -0.046 4.302 4.340 0.013 0.000 0.210 312 L C 2.418 179.324 176.870 0.061 0.000 1.092 312 L CA 2.135 56.999 54.840 0.039 0.000 0.759 312 L CB -0.831 41.276 42.059 0.079 0.000 0.903 312 L HN 0.239 nan 8.230 nan 0.000 0.435 313 A N -0.784 122.037 122.820 0.002 0.000 2.015 313 A HA -0.173 4.155 4.320 0.013 0.000 0.219 313 A C 2.365 179.941 177.584 -0.014 0.000 1.163 313 A CA 1.337 53.384 52.037 0.016 0.000 0.646 313 A CB -0.491 18.491 19.000 -0.029 0.000 0.806 313 A HN 0.476 nan 8.150 nan 0.000 0.448 314 R N -0.540 119.920 120.500 -0.066 0.000 2.189 314 R HA -0.036 4.311 4.340 0.013 0.000 0.218 314 R C 1.603 177.819 176.300 -0.141 0.000 1.074 314 R CA 1.032 57.080 56.100 -0.087 0.000 0.991 314 R CB -0.021 30.220 30.300 -0.098 0.000 0.883 314 R HN 0.304 nan 8.270 nan 0.000 0.457 315 K N -0.099 120.171 120.400 -0.217 0.000 2.098 315 K HA 0.060 4.388 4.320 0.013 0.000 0.203 315 K C 0.190 176.356 176.600 -0.723 0.000 1.051 315 K CA 0.909 56.876 56.287 -0.533 0.000 0.957 315 K CB 0.234 32.273 32.500 -0.768 0.000 0.738 315 K HN -0.001 nan 8.250 nan 0.000 0.447 316 F N 0.864 120.824 119.950 0.016 0.000 2.477 316 F HA 0.153 4.688 4.527 0.013 0.000 0.335 316 F C 1.258 177.104 175.800 0.076 0.000 1.130 316 F CA -0.850 57.178 58.000 0.046 0.000 0.948 316 F CB 1.766 40.795 39.000 0.048 0.000 1.154 316 F HN -0.113 nan 8.300 nan 0.000 0.439 317 S N 0.182 116.034 115.700 0.253 0.000 2.522 317 S HA -0.143 4.335 4.470 0.013 0.000 0.227 317 S C 1.161 175.953 174.600 0.320 0.000 0.986 317 S CA 0.703 59.036 58.200 0.222 0.000 0.929 317 S CB -0.476 62.823 63.200 0.165 0.000 0.769 317 S HN 0.706 nan 8.310 nan 0.000 0.529 318 N N 1.311 120.228 118.700 0.361 0.000 2.370 318 N HA 0.119 4.867 4.740 0.013 0.000 0.198 318 N C -0.106 175.740 175.510 0.559 0.000 1.156 318 N CA -0.205 53.103 53.050 0.429 0.000 0.839 318 N CB -0.294 38.401 38.487 0.348 0.000 0.989 318 N HN 0.476 nan 8.380 nan 0.000 0.468 319 L N 0.570 122.030 121.223 0.394 0.000 2.313 319 L HA 0.613 4.961 4.340 0.013 0.000 0.283 319 L C -0.971 175.897 176.870 -0.004 0.000 1.013 319 L CA -0.786 54.203 54.840 0.248 0.000 0.816 319 L CB 1.640 43.805 42.059 0.176 0.000 1.236 319 L HN 0.041 nan 8.230 nan 0.000 0.419 320 M N 6.315 125.754 119.600 -0.268 0.000 2.134 320 M HA 0.555 5.043 4.480 0.013 0.000 0.310 320 M C -1.377 174.829 176.300 -0.158 0.000 0.966 320 M CA -0.264 54.734 55.300 -0.503 0.000 0.922 320 M CB 0.969 32.721 32.600 -1.414 0.000 1.537 320 M HN 0.521 nan 8.290 nan 0.000 0.424 321 I N 6.080 126.626 120.570 -0.041 0.000 2.581 321 I HA 0.443 4.621 4.170 0.013 0.000 0.288 321 I C -0.676 175.532 176.117 0.152 0.000 1.047 321 I CA -0.358 60.950 61.300 0.014 0.000 1.374 321 I CB 0.605 38.586 38.000 -0.031 0.000 1.423 321 I HN 0.773 nan 8.210 nan 0.000 0.549 322 F N 3.132 123.062 119.950 -0.034 0.000 2.619 322 F HA 0.810 5.345 4.527 0.013 0.000 0.308 322 F C 0.091 175.956 175.800 0.108 0.000 1.097 322 F CA -0.699 57.313 58.000 0.020 0.000 0.953 322 F CB 0.762 39.717 39.000 -0.075 0.000 1.287 322 F HN 0.737 nan 8.300 nan 0.000 0.446 323 G N 0.618 109.604 108.800 0.309 0.000 2.960 323 G HA2 -0.180 3.788 3.960 0.013 0.000 0.267 323 G HA3 -0.180 3.788 3.960 0.013 0.000 0.267 323 G C -1.041 173.918 174.900 0.098 0.000 1.492 323 G CA -0.413 44.851 45.100 0.274 0.000 0.953 323 G HN 1.363 nan 8.290 nan 0.000 0.555 324 C N 0.185 119.519 119.300 0.057 0.000 2.409 324 C HA 0.407 4.875 4.460 0.013 0.000 0.297 324 C C 0.201 175.289 174.990 0.163 0.000 1.083 324 C CA -0.729 58.342 59.018 0.088 0.000 1.515 324 C CB -0.590 27.181 27.740 0.051 0.000 1.869 324 C HN 0.636 nan 8.230 nan 0.000 0.413 325 W N 4.530 125.867 121.300 0.061 0.000 2.303 325 W HA 0.370 5.037 4.660 0.012 0.000 0.318 325 W C 0.795 177.467 176.519 0.255 0.000 1.362 325 W CA 0.168 57.628 57.345 0.192 0.000 1.234 325 W CB 0.093 29.680 29.460 0.211 0.000 1.248 325 W HN 0.854 nan 8.180 nan 0.000 0.546 326 W N 4.203 125.476 121.300 -0.044 0.000 2.351 326 W HA -0.464 4.204 4.660 0.012 0.000 0.308 326 W C 1.411 177.737 176.519 -0.322 0.000 1.817 326 W CA 2.388 59.495 57.345 -0.398 0.000 1.945 326 W CB -2.166 26.558 29.460 -1.227 0.000 0.927 326 W HN 0.379 nan 8.180 nan 0.000 0.458 327 F N 0.628 120.562 119.950 -0.027 0.000 2.604 327 F HA -0.085 4.449 4.527 0.012 0.000 0.298 327 F C 2.397 178.180 175.800 -0.028 0.000 1.131 327 F CA 1.617 59.541 58.000 -0.126 0.000 1.457 327 F CB -0.863 37.920 39.000 -0.360 0.000 1.095 327 F HN -0.149 nan 8.300 nan 0.000 0.574 328 M N -1.088 118.597 119.600 0.142 0.000 2.514 328 M HA 0.039 4.526 4.480 0.013 0.000 0.258 328 M C 0.789 177.168 176.300 0.131 0.000 1.119 328 M CA 0.546 55.920 55.300 0.123 0.000 1.111 328 M CB -0.921 31.753 32.600 0.123 0.000 1.390 328 M HN -0.047 nan 8.290 nan 0.000 0.475 329 N N 2.946 121.744 118.700 0.164 0.000 3.210 329 N HA 0.033 4.781 4.740 0.013 0.000 0.314 329 N C -1.182 174.434 175.510 0.177 0.000 1.291 329 N CA 0.210 53.350 53.050 0.150 0.000 1.202 329 N CB -0.300 38.283 38.487 0.160 0.000 1.475 329 N HN 0.184 nan 8.380 nan 0.000 0.554 330 N N 0.267 119.053 118.700 0.144 0.000 2.249 330 N HA 0.227 4.975 4.740 0.013 0.000 0.296 330 N C -2.015 173.554 175.510 0.099 0.000 1.051 330 N CA -1.284 51.847 53.050 0.135 0.000 0.815 330 N CB 2.329 40.891 38.487 0.124 0.000 1.487 330 N HN -0.017 nan 8.380 nan 0.000 0.475 331 P HA -0.278 nan 4.420 nan 0.000 0.221 331 P C 1.224 178.557 177.300 0.054 0.000 1.160 331 P CA 1.761 64.902 63.100 0.068 0.000 0.933 331 P CB 0.472 32.199 31.700 0.044 0.000 0.793 332 E N -0.837 119.389 120.200 0.044 0.000 2.097 332 E HA -0.193 4.165 4.350 0.013 0.000 0.196 332 E C 1.821 178.442 176.600 0.035 0.000 1.000 332 E CA 1.506 57.926 56.400 0.034 0.000 0.804 332 E CB -0.845 28.871 29.700 0.025 0.000 0.740 332 E HN 0.089 nan 8.360 nan 0.000 0.454 333 I N 0.278 120.874 120.570 0.044 0.000 2.333 333 I HA -0.128 4.050 4.170 0.013 0.000 0.246 333 I C 2.442 178.587 176.117 0.046 0.000 1.106 333 I CA 0.798 62.123 61.300 0.042 0.000 1.411 333 I CB -1.004 37.028 38.000 0.052 0.000 1.082 333 I HN 0.190 nan 8.210 nan 0.000 0.420 334 I N 1.208 121.813 120.570 0.059 0.000 2.208 334 I HA -0.353 3.825 4.170 0.013 0.000 0.245 334 I C 2.519 178.671 176.117 0.058 0.000 1.097 334 I CA 1.540 62.877 61.300 0.062 0.000 1.363 334 I CB -0.530 37.514 38.000 0.074 0.000 1.051 334 I HN 0.404 nan 8.210 nan 0.000 0.413 335 N N 1.353 120.085 118.700 0.054 0.000 2.058 335 N HA -0.261 4.487 4.740 0.013 0.000 0.191 335 N C 1.889 177.418 175.510 0.033 0.000 1.037 335 N CA 2.014 55.093 53.050 0.048 0.000 0.848 335 N CB -0.035 38.478 38.487 0.043 0.000 1.021 335 N HN 0.556 nan 8.380 nan 0.000 0.422 336 E N 0.436 120.650 120.200 0.024 0.000 2.077 336 E HA -0.193 4.165 4.350 0.013 0.000 0.193 336 E C 2.205 178.804 176.600 -0.001 0.000 0.989 336 E CA 1.054 57.461 56.400 0.011 0.000 0.800 336 E CB -0.360 29.346 29.700 0.010 0.000 0.746 336 E HN 0.416 nan 8.360 nan 0.000 0.452 337 M N 0.950 120.550 119.600 0.001 0.000 2.086 337 M HA -0.109 4.379 4.480 0.013 0.000 0.261 337 M C 2.367 178.629 176.300 -0.064 0.000 1.067 337 M CA 2.141 57.423 55.300 -0.029 0.000 1.116 337 M CB -0.343 32.251 32.600 -0.010 0.000 1.348 337 M HN 0.160 nan 8.290 nan 0.000 0.407 338 T N 0.027 114.580 114.554 -0.000 0.000 2.788 338 T HA -0.118 4.240 4.350 0.013 0.000 0.268 338 T C 1.835 176.536 174.700 0.001 0.000 1.044 338 T CA 1.208 63.334 62.100 0.043 0.000 1.139 338 T CB -0.241 68.703 68.868 0.128 0.000 0.867 338 T HN 0.360 nan 8.240 nan 0.000 0.454 339 R N 0.383 120.881 120.500 -0.004 0.000 2.062 339 R HA 0.138 4.486 4.340 0.013 0.000 0.229 339 R C 2.640 178.908 176.300 -0.055 0.000 1.128 339 R CA 1.166 57.259 56.100 -0.012 0.000 0.960 339 R CB -0.287 30.014 30.300 0.002 0.000 0.855 339 R HN 0.375 nan 8.270 nan 0.000 0.432 340 M N -0.099 119.460 119.600 -0.068 0.000 2.117 340 M HA -0.178 4.310 4.480 0.013 0.000 0.262 340 M C 2.233 178.423 176.300 -0.184 0.000 1.065 340 M CA 1.736 56.988 55.300 -0.079 0.000 1.114 340 M CB -0.255 32.323 32.600 -0.038 0.000 1.361 340 M HN 0.098 nan 8.290 nan 0.000 0.408 341 R N -0.120 120.186 120.500 -0.324 0.000 2.073 341 R HA -0.113 4.235 4.340 0.013 0.000 0.234 341 R C 2.235 178.223 176.300 -0.520 0.000 1.134 341 R CA 1.662 57.373 56.100 -0.649 0.000 0.952 341 R CB -0.383 29.133 30.300 -1.308 0.000 0.850 341 R HN 0.350 nan 8.270 nan 0.000 0.433 342 M N 0.922 120.375 119.600 -0.245 0.000 2.159 342 M HA -0.169 4.319 4.480 0.013 0.000 0.263 342 M C 1.584 177.868 176.300 -0.027 0.000 1.063 342 M CA 1.724 57.053 55.300 0.048 0.000 1.110 342 M CB 0.133 32.808 32.600 0.126 0.000 1.374 342 M HN 0.086 nan 8.290 nan 0.000 0.411 343 E N -0.256 119.906 120.200 -0.064 0.000 2.110 343 E HA -0.196 4.162 4.350 0.013 0.000 0.193 343 E C 1.754 178.319 176.600 -0.059 0.000 0.988 343 E CA 1.550 57.919 56.400 -0.052 0.000 0.804 343 E CB -0.040 29.635 29.700 -0.041 0.000 0.745 343 E HN 0.589 nan 8.360 nan 0.000 0.458 344 M N -0.586 118.959 119.600 -0.091 0.000 2.414 344 M HA 0.121 4.609 4.480 0.013 0.000 0.251 344 M C 1.033 177.283 176.300 -0.082 0.000 1.116 344 M CA 0.410 55.656 55.300 -0.090 0.000 1.056 344 M CB 0.809 33.336 32.600 -0.122 0.000 1.388 344 M HN 0.045 nan 8.290 nan 0.000 0.487 345 L N -1.522 119.654 121.223 -0.077 0.000 3.086 345 L HA 0.413 4.761 4.340 0.013 0.000 0.274 345 L C 1.269 178.184 176.870 0.075 0.000 1.184 345 L CA -0.077 54.756 54.840 -0.011 0.000 1.002 345 L CB 0.238 42.281 42.059 -0.026 0.000 1.383 345 L HN 0.419 nan 8.230 nan 0.000 0.582 346 G N 1.960 110.797 108.800 0.061 0.000 2.602 346 G HA2 -0.433 3.535 3.960 0.013 0.000 0.310 346 G HA3 -0.433 3.535 3.960 0.013 0.000 0.310 346 G C 0.756 175.757 174.900 0.168 0.000 1.183 346 G CA 0.858 45.998 45.100 0.068 0.000 0.979 346 G HN 0.331 nan 8.290 nan 0.000 0.545 347 T N -2.093 112.518 114.554 0.095 0.000 3.129 347 T HA 0.515 4.873 4.350 0.013 0.000 0.267 347 T C 1.220 175.920 174.700 0.001 0.000 1.018 347 T CA 1.126 63.233 62.100 0.013 0.000 0.903 347 T CB 0.148 68.994 68.868 -0.037 0.000 1.067 347 T HN 1.627 nan 8.240 nan 0.000 0.549 348 S N 1.762 117.546 115.700 0.141 0.000 3.697 348 S HA 0.567 5.045 4.470 0.013 0.000 0.207 348 S C -0.176 174.545 174.600 0.202 0.000 1.459 348 S CA -1.084 57.183 58.200 0.112 0.000 1.122 348 S CB -1.521 61.733 63.200 0.090 0.000 1.311 348 S HN 0.674 nan 8.310 nan 0.000 0.487 349 F N -2.144 117.772 119.950 -0.058 0.000 2.741 349 F HA 0.663 5.198 4.527 0.012 0.000 0.311 349 F C -1.722 174.043 175.800 -0.059 0.000 1.149 349 F CA -1.719 56.239 58.000 -0.070 0.000 0.930 349 F CB 0.759 39.720 39.000 -0.065 0.000 1.312 349 F HN -0.033 nan 8.300 nan 0.000 0.450 350 I N 3.486 124.067 120.570 0.018 0.000 2.337 350 I HA 0.288 4.466 4.170 0.013 0.000 0.285 350 I C -1.587 174.570 176.117 0.067 0.000 1.041 350 I CA -1.968 59.284 61.300 -0.080 0.000 1.199 350 I CB 1.632 39.661 38.000 0.047 0.000 1.370 350 I HN 0.465 nan 8.210 nan 0.000 0.470 351 P HA -0.174 nan 4.420 nan 0.000 0.218 351 P C 0.316 177.691 177.300 0.125 0.000 1.148 351 P CA 1.420 64.583 63.100 0.104 0.000 0.822 351 P CB 0.470 32.093 31.700 -0.128 0.000 0.784 352 Q N -1.407 118.460 119.800 0.112 0.000 2.575 352 Q HA 0.351 4.699 4.340 0.013 0.000 0.290 352 Q C -1.264 174.903 176.000 0.278 0.000 0.963 352 Q CA -0.787 55.085 55.803 0.115 0.000 0.783 352 Q CB 1.229 29.945 28.738 -0.037 0.000 1.467 352 Q HN 0.276 nan 8.270 nan 0.000 0.402 353 H N -0.985 118.125 119.070 0.065 0.000 3.016 353 H HA 0.496 5.060 4.556 0.014 0.000 0.362 353 H C -0.575 174.649 175.328 -0.174 0.000 1.233 353 H CA -0.154 55.966 56.048 0.119 0.000 1.124 353 H CB 1.497 31.392 29.762 0.222 0.000 1.850 353 H HN 0.691 nan 8.280 nan 0.000 0.549 354 S N -0.140 115.473 115.700 -0.144 0.000 2.439 354 S HA -0.079 4.399 4.470 0.013 0.000 0.224 354 S C 0.570 175.081 174.600 -0.148 0.000 1.029 354 S CA 0.830 58.805 58.200 -0.375 0.000 0.946 354 S CB -0.225 62.769 63.200 -0.343 0.000 0.797 354 S HN 0.774 nan 8.310 nan 0.000 0.504 355 D N 1.241 121.696 120.400 0.092 0.000 3.012 355 D HA -0.143 4.505 4.640 0.013 0.000 0.222 355 D C 0.169 176.497 176.300 0.047 0.000 1.167 355 D CA 0.881 54.951 54.000 0.116 0.000 0.854 355 D CB -1.533 39.486 40.800 0.364 0.000 1.107 355 D HN 0.771 nan 8.370 nan 0.000 0.421 356 A N 0.149 122.922 122.820 -0.079 0.000 2.546 356 A HA 0.178 4.506 4.320 0.013 0.000 0.243 356 A C 1.413 178.988 177.584 -0.015 0.000 1.063 356 A CA 0.629 52.590 52.037 -0.127 0.000 0.757 356 A CB 0.383 19.302 19.000 -0.134 0.000 0.991 356 A HN 0.344 nan 8.150 nan 0.000 0.503 357 R N 1.273 121.746 120.500 -0.046 0.000 2.225 357 R HA 0.192 4.540 4.340 0.013 0.000 0.194 357 R C -0.570 175.766 176.300 0.060 0.000 0.957 357 R CA 0.393 56.543 56.100 0.084 0.000 1.042 357 R CB 0.576 30.976 30.300 0.167 0.000 1.004 357 R HN 0.537 nan 8.270 nan 0.000 0.509 358 V N 1.835 121.712 119.914 -0.061 0.000 2.448 358 V HA 0.041 4.169 4.120 0.013 0.000 0.295 358 V C 0.897 177.004 176.094 0.022 0.000 1.025 358 V CA -0.440 61.863 62.300 0.005 0.000 0.859 358 V CB 1.768 33.555 31.823 -0.060 0.000 0.988 358 V HN 0.090 nan 8.190 nan 0.000 0.431 359 L N 4.667 125.965 121.223 0.125 0.000 2.011 359 L HA -0.235 4.112 4.340 0.013 0.000 0.225 359 L C 2.182 179.107 176.870 0.092 0.000 1.084 359 L CA 2.375 57.290 54.840 0.124 0.000 0.791 359 L CB -0.392 41.768 42.059 0.168 0.000 0.898 359 L HN 0.801 nan 8.230 nan 0.000 0.440 360 E N -0.576 119.701 120.200 0.128 0.000 2.331 360 E HA -0.225 4.133 4.350 0.013 0.000 0.199 360 E C 2.139 178.766 176.600 0.046 0.000 1.008 360 E CA 1.105 57.580 56.400 0.124 0.000 0.843 360 E CB -0.274 29.537 29.700 0.185 0.000 0.761 360 E HN 0.681 nan 8.360 nan 0.000 0.507 361 Q N -0.084 119.684 119.800 -0.052 0.000 2.291 361 Q HA -0.106 4.242 4.340 0.013 0.000 0.206 361 Q C 1.929 177.733 176.000 -0.326 0.000 0.976 361 Q CA 0.689 56.348 55.803 -0.240 0.000 0.875 361 Q CB -0.160 28.321 28.738 -0.428 0.000 0.927 361 Q HN 0.366 nan 8.270 nan 0.000 0.450 362 L N 0.248 121.406 121.223 -0.109 0.000 2.127 362 L HA -0.234 4.114 4.340 0.013 0.000 0.211 362 L C 2.175 179.104 176.870 0.099 0.000 1.089 362 L CA 1.021 55.888 54.840 0.045 0.000 0.757 362 L CB -0.456 41.683 42.059 0.133 0.000 0.899 362 L HN 0.295 nan 8.230 nan 0.000 0.434 363 I N -0.853 119.748 120.570 0.051 0.000 2.133 363 I HA -0.334 3.844 4.170 0.013 0.000 0.238 363 I C 2.649 178.819 176.117 0.087 0.000 1.074 363 I CA 1.731 63.092 61.300 0.102 0.000 1.342 363 I CB -0.486 37.573 38.000 0.097 0.000 1.053 363 I HN 0.275 nan 8.210 nan 0.000 0.404 364 Y N 1.281 121.505 120.300 -0.127 0.000 2.263 364 Y HA -0.019 4.538 4.550 0.012 0.000 0.292 364 Y C 2.267 177.903 175.900 -0.439 0.000 1.130 364 Y CA 0.767 58.635 58.100 -0.388 0.000 1.179 364 Y CB -0.659 37.494 38.460 -0.511 0.000 0.998 364 Y HN -0.137 nan 8.280 nan 0.000 0.532 365 K N 0.455 120.320 120.400 -0.890 0.000 2.032 365 K HA -0.205 4.122 4.320 0.013 0.000 0.209 365 K C 1.763 178.053 176.600 -0.516 0.000 1.048 365 K CA 2.118 57.913 56.287 -0.819 0.000 0.927 365 K CB -1.029 30.899 32.500 -0.954 0.000 0.712 365 K HN 0.575 nan 8.250 nan 0.000 0.441 366 W N 0.201 121.455 121.300 -0.077 0.000 2.476 366 W HA -0.083 4.584 4.660 0.012 0.000 0.281 366 W C 2.422 179.009 176.519 0.114 0.000 1.230 366 W CA 0.624 57.991 57.345 0.037 0.000 1.287 366 W CB -0.359 29.106 29.460 0.009 0.000 1.108 366 W HN 0.325 nan 8.180 nan 0.000 0.567 367 H N -0.292 118.900 119.070 0.203 0.000 2.293 367 H HA -0.157 4.406 4.556 0.012 0.000 0.300 367 H C 1.837 177.342 175.328 0.295 0.000 1.082 367 H CA 2.368 58.548 56.048 0.220 0.000 1.308 367 H CB -0.630 29.252 29.762 0.200 0.000 1.375 367 H HN 0.294 nan 8.280 nan 0.000 0.495 368 H N -0.672 118.641 119.070 0.404 0.000 2.353 368 H HA -0.065 4.500 4.556 0.015 0.000 0.300 368 H C 2.524 177.962 175.328 0.184 0.000 1.090 368 H CA 1.002 57.227 56.048 0.295 0.000 1.327 368 H CB 0.365 30.276 29.762 0.248 0.000 1.383 368 H HN 0.270 nan 8.280 nan 0.000 0.508 369 S N 0.346 116.201 115.700 0.258 0.000 2.387 369 S HA -0.076 4.402 4.470 0.013 0.000 0.226 369 S C 1.915 176.676 174.600 0.268 0.000 1.026 369 S CA 0.760 59.070 58.200 0.184 0.000 0.972 369 S CB 0.056 63.273 63.200 0.028 0.000 0.814 369 S HN 0.335 nan 8.310 nan 0.000 0.477 370 K N 1.425 122.012 120.400 0.312 0.000 2.057 370 K HA -0.086 4.242 4.320 0.013 0.000 0.207 370 K C 2.525 179.233 176.600 0.179 0.000 1.049 370 K CA 1.581 58.040 56.287 0.286 0.000 0.931 370 K CB -0.275 32.310 32.500 0.143 0.000 0.714 370 K HN 0.475 nan 8.250 nan 0.000 0.440 371 S N 0.972 116.746 115.700 0.123 0.000 2.399 371 S HA -0.119 4.359 4.470 0.013 0.000 0.231 371 S C 1.993 176.661 174.600 0.114 0.000 1.022 371 S CA 0.919 59.172 58.200 0.089 0.000 0.983 371 S CB -0.467 62.782 63.200 0.081 0.000 0.803 371 S HN 0.196 nan 8.310 nan 0.000 0.480 372 I N 1.245 121.897 120.570 0.137 0.000 2.233 372 I HA -0.051 4.127 4.170 0.013 0.000 0.243 372 I C 2.378 178.575 176.117 0.133 0.000 1.093 372 I CA 1.112 62.485 61.300 0.121 0.000 1.380 372 I CB -0.356 37.715 38.000 0.118 0.000 1.067 372 I HN 0.256 nan 8.210 nan 0.000 0.413 373 I N 1.011 121.688 120.570 0.178 0.000 2.286 373 I HA -0.285 3.893 4.170 0.013 0.000 0.248 373 I C 2.808 179.033 176.117 0.181 0.000 1.115 373 I CA 1.290 62.705 61.300 0.193 0.000 1.392 373 I CB -0.485 37.686 38.000 0.285 0.000 1.065 373 I HN 0.182 nan 8.210 nan 0.000 0.418 374 A N 0.475 123.405 122.820 0.182 0.000 1.902 374 A HA -0.196 4.132 4.320 0.013 0.000 0.217 374 A C 2.242 179.899 177.584 0.122 0.000 1.181 374 A CA 1.515 53.642 52.037 0.151 0.000 0.623 374 A CB -0.405 18.663 19.000 0.113 0.000 0.818 374 A HN 0.318 nan 8.150 nan 0.000 0.443 375 E N -0.083 120.178 120.200 0.103 0.000 2.110 375 E HA -0.107 4.251 4.350 0.013 0.000 0.193 375 E C 2.204 178.849 176.600 0.075 0.000 0.988 375 E CA 1.297 57.747 56.400 0.084 0.000 0.804 375 E CB -0.627 29.116 29.700 0.072 0.000 0.745 375 E HN 0.411 nan 8.360 nan 0.000 0.458 376 V N 1.400 121.359 119.914 0.075 0.000 2.358 376 V HA -0.209 3.919 4.120 0.013 0.000 0.246 376 V C 2.530 178.636 176.094 0.019 0.000 1.047 376 V CA 1.187 63.518 62.300 0.052 0.000 1.035 376 V CB -0.500 31.362 31.823 0.065 0.000 0.658 376 V HN 0.181 nan 8.190 nan 0.000 0.452 377 L N -0.653 120.588 121.223 0.030 0.000 2.046 377 L HA -0.167 4.181 4.340 0.013 0.000 0.208 377 L C 2.364 179.249 176.870 0.024 0.000 1.077 377 L CA 1.639 56.443 54.840 -0.059 0.000 0.747 377 L CB -0.430 41.666 42.059 0.063 0.000 0.896 377 L HN 0.269 nan 8.230 nan 0.000 0.432 378 I N -0.373 120.281 120.570 0.140 0.000 2.226 378 I HA -0.306 3.872 4.170 0.013 0.000 0.245 378 I C 2.110 178.305 176.117 0.130 0.000 1.100 378 I CA 1.183 62.593 61.300 0.183 0.000 1.374 378 I CB -0.407 37.674 38.000 0.135 0.000 1.057 378 I HN 0.278 nan 8.210 nan 0.000 0.413 379 D N 1.003 121.446 120.400 0.072 0.000 2.097 379 D HA -0.165 4.483 4.640 0.013 0.000 0.195 379 D C 2.183 178.506 176.300 0.037 0.000 0.989 379 D CA 1.327 55.358 54.000 0.052 0.000 0.827 379 D CB -0.128 40.693 40.800 0.033 0.000 0.966 379 D HN 0.112 nan 8.370 nan 0.000 0.456 380 K N -0.127 120.262 120.400 -0.018 0.000 2.097 380 K HA -0.099 4.229 4.320 0.013 0.000 0.205 380 K C 2.061 178.648 176.600 -0.022 0.000 1.050 380 K CA 0.703 56.950 56.287 -0.068 0.000 0.938 380 K CB -0.542 31.858 32.500 -0.165 0.000 0.718 380 K HN 0.220 nan 8.250 nan 0.000 0.442 381 Y N 0.755 121.083 120.300 0.048 0.000 2.200 381 Y HA -0.157 4.399 4.550 0.011 0.000 0.290 381 Y C 2.070 178.012 175.900 0.070 0.000 1.137 381 Y CA 1.222 59.360 58.100 0.063 0.000 1.163 381 Y CB -0.671 37.836 38.460 0.078 0.000 0.988 381 Y HN 0.164 nan 8.280 nan 0.000 0.518 382 D N -0.234 120.300 120.400 0.223 0.000 2.144 382 D HA -0.167 4.481 4.640 0.013 0.000 0.199 382 D C 1.576 177.945 176.300 0.114 0.000 0.984 382 D CA 1.527 55.616 54.000 0.148 0.000 0.834 382 D CB -0.081 40.785 40.800 0.110 0.000 0.955 382 D HN 0.162 nan 8.370 nan 0.000 0.465 383 D N -0.204 120.249 120.400 0.089 0.000 2.117 383 D HA -0.123 4.525 4.640 0.013 0.000 0.197 383 D C 2.182 178.526 176.300 0.074 0.000 0.987 383 D CA 1.039 55.076 54.000 0.062 0.000 0.829 383 D CB -0.337 40.481 40.800 0.031 0.000 0.961 383 D HN 0.560 nan 8.370 nan 0.000 0.460 384 I N -2.062 118.562 120.570 0.089 0.000 2.617 384 I HA -0.079 4.099 4.170 0.013 0.000 0.256 384 I C 1.915 178.157 176.117 0.207 0.000 1.167 384 I CA 0.431 61.791 61.300 0.101 0.000 1.469 384 I CB -0.160 37.839 38.000 -0.001 0.000 1.098 384 I HN -0.148 nan 8.210 nan 0.000 0.436 385 L N 1.213 122.558 121.223 0.204 0.000 2.056 385 L HA -0.134 4.214 4.340 0.013 0.000 0.207 385 L C 2.694 179.647 176.870 0.138 0.000 1.078 385 L CA 1.876 56.831 54.840 0.191 0.000 0.749 385 L CB -0.858 41.293 42.059 0.152 0.000 0.901 385 L HN 0.320 nan 8.230 nan 0.000 0.433 386 Q N -1.421 118.445 119.800 0.110 0.000 2.364 386 Q HA -0.023 4.325 4.340 0.013 0.000 0.207 386 Q C 1.842 177.892 176.000 0.084 0.000 0.970 386 Q CA 0.946 56.798 55.803 0.082 0.000 0.888 386 Q CB -0.153 28.624 28.738 0.065 0.000 0.951 386 Q HN 0.535 nan 8.270 nan 0.000 0.469 387 A N -0.132 122.753 122.820 0.107 0.000 2.251 387 A HA 0.341 4.669 4.320 0.013 0.000 0.209 387 A C 1.457 179.122 177.584 0.136 0.000 1.187 387 A CA 0.730 52.831 52.037 0.107 0.000 0.823 387 A CB -0.065 18.996 19.000 0.102 0.000 0.846 387 A HN 0.425 nan 8.150 nan 0.000 0.486 388 G N -2.529 106.357 108.800 0.143 0.000 2.176 388 G HA2 -0.244 3.724 3.960 0.013 0.000 0.232 388 G HA3 -0.244 3.724 3.960 0.013 0.000 0.232 388 G C 0.069 175.067 174.900 0.164 0.000 0.986 388 G CA 0.013 45.187 45.100 0.124 0.000 0.643 388 G HN 0.614 nan 8.290 nan 0.000 0.522 389 W N 2.007 123.327 121.300 0.032 0.000 2.202 389 W HA 0.580 5.246 4.660 0.011 0.000 0.332 389 W C -0.343 176.194 176.519 0.029 0.000 1.263 389 W CA 0.242 57.608 57.345 0.035 0.000 1.223 389 W CB 0.599 30.089 29.460 0.050 0.000 1.128 389 W HN 0.223 nan 8.180 nan 0.000 0.573 390 E N 3.839 123.777 120.200 -0.435 0.000 2.165 390 E HA 0.232 4.589 4.350 0.013 0.000 0.266 390 E C -1.083 175.368 176.600 -0.249 0.000 0.889 390 E CA -0.700 55.555 56.400 -0.243 0.000 0.756 390 E CB 2.739 32.290 29.700 -0.247 0.000 1.131 390 E HN 0.169 nan 8.360 nan 0.000 0.411 391 V N 3.517 123.444 119.914 0.020 0.000 2.398 391 V HA 0.331 4.459 4.120 0.013 0.000 0.286 391 V C 0.045 176.112 176.094 -0.046 0.000 1.026 391 V CA -0.240 62.100 62.300 0.066 0.000 0.868 391 V CB 1.569 33.430 31.823 0.063 0.000 0.982 391 V HN 0.844 nan 8.190 nan 0.000 0.443 392 T N 1.749 116.282 114.554 -0.035 0.000 2.899 392 T HA 0.321 4.678 4.350 0.013 0.000 0.284 392 T C 0.929 175.593 174.700 -0.060 0.000 1.004 392 T CA 0.104 62.175 62.100 -0.048 0.000 1.043 392 T CB 1.287 70.136 68.868 -0.032 0.000 1.013 392 T HN 0.796 nan 8.240 nan 0.000 0.518 393 E N 0.007 120.174 120.200 -0.054 0.000 2.153 393 E HA -0.166 4.192 4.350 0.013 0.000 0.194 393 E C 1.848 178.431 176.600 -0.029 0.000 0.988 393 E CA 0.891 57.260 56.400 -0.052 0.000 0.811 393 E CB 0.095 29.772 29.700 -0.037 0.000 0.746 393 E HN 0.637 nan 8.360 nan 0.000 0.466 394 E N 0.512 120.704 120.200 -0.014 0.000 2.150 394 E HA -0.173 4.185 4.350 0.013 0.000 0.193 394 E C 1.806 178.420 176.600 0.024 0.000 0.985 394 E CA 0.864 57.267 56.400 0.005 0.000 0.814 394 E CB -0.036 29.668 29.700 0.006 0.000 0.752 394 E HN 0.422 nan 8.360 nan 0.000 0.466 395 E N 0.366 120.582 120.200 0.027 0.000 2.106 395 E HA -0.079 4.279 4.350 0.013 0.000 0.192 395 E C 2.230 178.875 176.600 0.076 0.000 0.984 395 E CA 0.475 56.916 56.400 0.068 0.000 0.806 395 E CB -0.045 29.715 29.700 0.100 0.000 0.750 395 E HN 0.239 nan 8.360 nan 0.000 0.458 396 I N 1.314 121.885 120.570 0.001 0.000 2.179 396 I HA -0.285 3.893 4.170 0.013 0.000 0.242 396 I C 2.206 178.379 176.117 0.093 0.000 1.088 396 I CA 1.262 62.568 61.300 0.010 0.000 1.357 396 I CB -0.182 37.741 38.000 -0.128 0.000 1.051 396 I HN 0.024 nan 8.210 nan 0.000 0.409 397 K N 0.295 120.726 120.400 0.051 0.000 2.097 397 K HA -0.200 4.128 4.320 0.013 0.000 0.206 397 K C 2.253 178.899 176.600 0.076 0.000 1.049 397 K CA 1.057 57.377 56.287 0.055 0.000 0.933 397 K CB -0.234 32.281 32.500 0.026 0.000 0.717 397 K HN 0.258 nan 8.250 nan 0.000 0.442 398 R N 1.416 121.963 120.500 0.078 0.000 2.070 398 R HA -0.168 4.180 4.340 0.013 0.000 0.233 398 R C 1.348 177.710 176.300 0.104 0.000 1.137 398 R CA 2.026 58.176 56.100 0.083 0.000 0.945 398 R CB -0.150 30.198 30.300 0.080 0.000 0.845 398 R HN 0.126 nan 8.270 nan 0.000 0.430 399 D N 0.186 120.668 120.400 0.136 0.000 2.104 399 D HA -0.137 4.511 4.640 0.013 0.000 0.194 399 D C 2.013 178.396 176.300 0.138 0.000 0.994 399 D CA 1.247 55.333 54.000 0.143 0.000 0.830 399 D CB -0.272 40.668 40.800 0.233 0.000 0.959 399 D HN 0.119 nan 8.370 nan 0.000 0.452 400 V N 1.486 121.512 119.914 0.187 0.000 2.407 400 V HA -0.229 3.899 4.120 0.013 0.000 0.248 400 V C 2.531 178.788 176.094 0.271 0.000 1.055 400 V CA 1.751 64.208 62.300 0.262 0.000 1.049 400 V CB -0.742 31.208 31.823 0.211 0.000 0.662 400 V HN 0.190 nan 8.190 nan 0.000 0.455 401 A N -0.368 122.549 122.820 0.163 0.000 1.933 401 A HA -0.230 4.098 4.320 0.013 0.000 0.218 401 A C 2.010 179.671 177.584 0.129 0.000 1.175 401 A CA 1.898 54.019 52.037 0.140 0.000 0.628 401 A CB -0.526 18.531 19.000 0.095 0.000 0.814 401 A HN 0.531 nan 8.150 nan 0.000 0.444 402 D N 0.145 120.599 120.400 0.090 0.000 2.097 402 D HA -0.104 4.543 4.640 0.013 0.000 0.195 402 D C 2.023 178.309 176.300 -0.025 0.000 0.989 402 D CA 1.076 55.103 54.000 0.044 0.000 0.827 402 D CB -0.347 40.465 40.800 0.022 0.000 0.966 402 D HN 0.444 nan 8.370 nan 0.000 0.456 403 L N -0.500 120.671 121.223 -0.087 0.000 1.989 403 L HA -0.162 4.186 4.340 0.013 0.000 0.211 403 L C 2.249 178.907 176.870 -0.355 0.000 1.071 403 L CA 1.120 55.766 54.840 -0.323 0.000 0.749 403 L CB -0.435 41.357 42.059 -0.444 0.000 0.890 403 L HN -0.014 nan 8.230 nan 0.000 0.431 404 F N -2.009 117.912 119.950 -0.049 0.000 2.789 404 F HA -0.012 4.522 4.527 0.012 0.000 0.300 404 F C 2.203 177.963 175.800 -0.065 0.000 1.132 404 F CA 0.706 58.666 58.000 -0.067 0.000 1.404 404 F CB 0.337 39.275 39.000 -0.104 0.000 1.114 404 F HN 0.024 nan 8.300 nan 0.000 0.584 405 S N -1.070 114.713 115.700 0.139 0.000 3.798 405 S HA 0.107 4.585 4.470 0.013 0.000 0.227 405 S C 1.768 176.527 174.600 0.264 0.000 1.126 405 S CA -0.227 58.087 58.200 0.190 0.000 1.030 405 S CB -0.272 63.069 63.200 0.235 0.000 1.189 405 S HN 0.065 nan 8.310 nan 0.000 0.464 406 R N 1.596 122.230 120.500 0.223 0.000 2.096 406 R HA 0.071 4.419 4.340 0.013 0.000 0.235 406 R C 1.673 178.070 176.300 0.161 0.000 1.127 406 R CA 1.681 57.914 56.100 0.221 0.000 0.968 406 R CB -0.403 29.985 30.300 0.147 0.000 0.861 406 R HN 0.388 nan 8.270 nan 0.000 0.440 407 N N 0.665 119.421 118.700 0.094 0.000 2.104 407 N HA -0.186 4.562 4.740 0.013 0.000 0.190 407 N C 1.439 176.997 175.510 0.080 0.000 1.024 407 N CA 1.142 54.230 53.050 0.063 0.000 0.853 407 N CB -0.388 38.092 38.487 -0.012 0.000 1.008 407 N HN 0.118 nan 8.380 nan 0.000 0.424 408 F N 0.234 120.114 119.950 -0.116 0.000 2.051 408 F HA -0.130 4.405 4.527 0.013 0.000 0.296 408 F C 1.934 177.621 175.800 -0.187 0.000 1.122 408 F CA 1.399 59.253 58.000 -0.242 0.000 1.201 408 F CB -0.808 37.885 39.000 -0.511 0.000 0.978 408 F HN 0.043 nan 8.300 nan 0.000 0.472 409 W N 0.581 121.810 121.300 -0.119 0.000 2.342 409 W HA -0.142 4.525 4.660 0.013 0.000 0.297 409 W C 2.801 179.217 176.519 -0.171 0.000 1.213 409 W CA 1.351 58.560 57.345 -0.226 0.000 1.251 409 W CB -0.473 28.953 29.460 -0.057 0.000 1.136 409 W HN -0.045 nan 8.180 nan 0.000 0.526 410 R N -0.402 120.179 120.500 0.134 0.000 2.092 410 R HA -0.168 4.180 4.340 0.013 0.000 0.231 410 R C 2.111 178.447 176.300 0.059 0.000 1.119 410 R CA 1.452 57.610 56.100 0.096 0.000 0.970 410 R CB -0.722 29.646 30.300 0.113 0.000 0.864 410 R HN 0.181 nan 8.270 nan 0.000 0.440 411 F N 0.941 120.815 119.950 -0.128 0.000 2.206 411 F HA -0.134 4.401 4.527 0.014 0.000 0.298 411 F C 1.962 177.649 175.800 -0.189 0.000 1.090 411 F CA 1.416 59.333 58.000 -0.138 0.000 1.323 411 F CB -0.053 38.864 39.000 -0.138 0.000 1.028 411 F HN -0.076 nan 8.300 nan 0.000 0.492 412 V N -1.711 118.042 119.914 -0.269 0.000 3.041 412 V HA 0.302 4.430 4.120 0.013 0.000 0.260 412 V C 1.484 177.470 176.094 -0.180 0.000 1.105 412 V CA 0.821 62.940 62.300 -0.302 0.000 1.125 412 V CB -0.988 30.560 31.823 -0.458 0.000 0.730 412 V HN 0.651 nan 8.190 nan 0.000 0.479 413 G N 0.414 109.142 108.800 -0.121 0.000 2.203 413 G HA2 -0.155 3.813 3.960 0.013 0.000 0.231 413 G HA3 -0.155 3.813 3.960 0.013 0.000 0.231 413 G C -0.022 174.877 174.900 -0.002 0.000 1.058 413 G CA 0.135 45.197 45.100 -0.062 0.000 0.781 413 G HN 0.621 nan 8.290 nan 0.000 0.496 414 R N 0.000 120.536 120.500 0.059 0.000 2.786 414 R HA 0.000 4.348 4.340 0.013 0.000 0.208 414 R CA 0.000 56.145 56.100 0.074 0.000 0.921 414 R CB 0.000 30.429 30.300 0.214 0.000 0.687 414 R HN 0.000 nan 8.270 nan 0.000 0.535