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 3fz6_1_C DATA FIRST_RESID 12 DATA SEQUENCE ELLDSRFGAK SISTIAESKR FPLHEMRDDV AFQIINDELY LDGNARQNLA DATA SEQUENCE TFCQTWDDEN VHKLMDLSIN KNWIDKEEYP QSAAIDLRCV NMVADLWHAP DATA SEQUENCE APKNGQAVGT NTIGSSEACM LGGMAMKWRW RKRMEAAGKP TDKPNLVCGP DATA SEQUENCE VQICWHKFAR YWDVELREIP MRPGQLFMDP KRMIEACDEN TIGVVPTFGV DATA SEQUENCE TYTGNYEFPQ PLHDALDKFQ ADTGIDIDMH IDAASGGFLA PFVAPDIVWD DATA SEQUENCE FRLPRVKSIS ASGHKFGLAP LGCGWVIWRD EEALPQELVF NVDYLGGQIG DATA SEQUENCE TFAINFSRPA GQVIAQYYEF LRLGREGYTK VQNASYQVAA YLADEIAKLG DATA SEQUENCE PYEFICTGRP DEGIPAVCFK LKDGEDPGYT LYDLSERLRL RGWQVPAFTL DATA SEQUENCE GGEATDIVVM RIMCRRGFEM DFAELLLEDY KASLKYLSDH PKLQGIAQQN DATA SEQUENCE SFKHT 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 12 E HA 0.000 nan 4.350 nan 0.000 0.291 12 E C 0.000 176.604 176.600 0.007 0.000 1.382 12 E CA 0.000 56.404 56.400 0.006 0.000 0.976 12 E CB 0.000 29.704 29.700 0.007 0.000 0.812 13 L N 3.981 125.210 121.223 0.009 0.000 2.477 13 L HA 0.342 4.660 4.340 -0.037 0.000 0.272 13 L C -0.273 176.606 176.870 0.015 0.000 1.157 13 L CA 0.615 55.461 54.840 0.009 0.000 0.889 13 L CB -0.147 41.918 42.059 0.009 0.000 1.158 13 L HN 0.544 nan 8.230 nan 0.000 0.473 14 L N 2.850 124.079 121.223 0.011 0.000 2.358 14 L HA 0.552 4.870 4.340 -0.037 0.000 0.268 14 L C -0.087 176.789 176.870 0.010 0.000 1.032 14 L CA -0.763 54.087 54.840 0.017 0.000 0.805 14 L CB 1.492 43.557 42.059 0.010 0.000 1.253 14 L HN 0.480 nan 8.230 nan 0.000 0.452 15 D N -0.573 119.839 120.400 0.019 0.000 2.502 15 D HA 0.147 4.765 4.640 -0.037 0.000 0.249 15 D C 0.519 176.761 176.300 -0.096 0.000 1.092 15 D CA -0.237 53.746 54.000 -0.027 0.000 0.839 15 D CB 2.130 42.961 40.800 0.052 0.000 1.264 15 D HN 0.570 nan 8.370 nan 0.000 0.511 16 S N 3.640 119.252 115.700 -0.146 0.000 2.489 16 S HA -0.049 4.399 4.470 -0.037 0.000 0.228 16 S C 1.544 176.014 174.600 -0.217 0.000 0.995 16 S CA 0.310 58.425 58.200 -0.142 0.000 0.934 16 S CB 0.098 63.229 63.200 -0.115 0.000 0.771 16 S HN 0.485 nan 8.310 nan 0.000 0.522 17 R N -0.022 120.227 120.500 -0.418 0.000 2.073 17 R HA 0.120 4.438 4.340 -0.037 0.000 0.229 17 R C 0.965 176.976 176.300 -0.483 0.000 1.120 17 R CA 1.545 57.281 56.100 -0.608 0.000 0.967 17 R CB -0.318 29.276 30.300 -1.176 0.000 0.862 17 R HN 0.522 nan 8.270 nan 0.000 0.436 18 F N -0.724 119.220 119.950 -0.011 0.000 2.678 18 F HA 0.365 4.868 4.527 -0.040 0.000 0.305 18 F C 1.319 177.115 175.800 -0.005 0.000 1.090 18 F CA -0.264 57.733 58.000 -0.005 0.000 1.272 18 F CB -0.099 38.900 39.000 -0.002 0.000 1.060 18 F HN 0.093 nan 8.300 nan 0.000 0.576 19 G N 1.302 110.153 108.800 0.085 0.000 2.422 19 G HA2 -0.021 3.917 3.960 -0.037 0.000 0.301 19 G HA3 -0.021 3.917 3.960 -0.037 0.000 0.301 19 G C 0.184 175.132 174.900 0.081 0.000 0.981 19 G CA 0.442 45.576 45.100 0.058 0.000 0.994 19 G HN 0.773 nan 8.290 nan 0.000 0.514 20 A N -0.999 121.890 122.820 0.116 0.000 2.569 20 A HA 0.844 5.142 4.320 -0.037 0.000 0.290 20 A C 0.329 177.963 177.584 0.083 0.000 1.136 20 A CA 0.021 52.115 52.037 0.094 0.000 0.710 20 A CB 0.841 19.903 19.000 0.102 0.000 1.303 20 A HN 0.830 nan 8.150 nan 0.000 0.413 21 K N 0.728 121.161 120.400 0.055 0.000 2.543 21 K HA 0.070 4.368 4.320 -0.037 0.000 0.279 21 K C 0.362 177.003 176.600 0.069 0.000 1.001 21 K CA 0.663 56.978 56.287 0.047 0.000 1.088 21 K CB 0.179 32.696 32.500 0.029 0.000 0.863 21 K HN 0.691 nan 8.250 nan 0.000 0.488 22 S N 3.830 119.566 115.700 0.060 0.000 2.549 22 S HA 0.207 4.655 4.470 -0.037 0.000 0.283 22 S C -0.216 174.421 174.600 0.061 0.000 1.320 22 S CA -0.622 57.620 58.200 0.071 0.000 1.058 22 S CB 0.124 63.350 63.200 0.044 0.000 0.882 22 S HN 0.449 nan 8.310 nan 0.000 0.498 23 I N 4.110 124.726 120.570 0.076 0.000 2.355 23 I HA 0.272 4.420 4.170 -0.037 0.000 0.288 23 I C 0.120 176.263 176.117 0.044 0.000 0.999 23 I CA -0.132 61.197 61.300 0.048 0.000 1.163 23 I CB 1.844 39.863 38.000 0.033 0.000 1.316 23 I HN 0.565 nan 8.210 nan 0.000 0.454 24 S N 3.377 119.091 115.700 0.023 0.000 2.430 24 S HA 0.183 4.631 4.470 -0.037 0.000 0.289 24 S C 1.354 175.953 174.600 -0.003 0.000 1.143 24 S CA -0.172 58.034 58.200 0.011 0.000 1.067 24 S CB 0.575 63.778 63.200 0.005 0.000 0.964 24 S HN 0.798 nan 8.310 nan 0.000 0.485 25 T N 3.349 117.899 114.554 -0.007 0.000 3.035 25 T HA 0.037 4.365 4.350 -0.037 0.000 0.268 25 T C 1.580 176.263 174.700 -0.028 0.000 1.109 25 T CA 0.768 62.854 62.100 -0.024 0.000 1.119 25 T CB -0.395 68.457 68.868 -0.027 0.000 0.900 25 T HN 0.671 nan 8.240 nan 0.000 0.503 26 I N 0.935 121.493 120.570 -0.020 0.000 2.703 26 I HA 0.145 4.293 4.170 -0.037 0.000 0.259 26 I C 2.977 179.083 176.117 -0.019 0.000 1.151 26 I CA 0.602 61.889 61.300 -0.021 0.000 1.470 26 I CB -0.355 37.634 38.000 -0.018 0.000 1.112 26 I HN 0.305 nan 8.210 nan 0.000 0.437 27 A N 0.404 123.215 122.820 -0.014 0.000 1.825 27 A HA -0.207 4.091 4.320 -0.037 0.000 0.214 27 A C 1.871 179.444 177.584 -0.017 0.000 1.206 27 A CA 1.250 53.279 52.037 -0.012 0.000 0.609 27 A CB -0.565 18.432 19.000 -0.006 0.000 0.851 27 A HN 0.367 nan 8.150 nan 0.000 0.445 28 E N 0.647 120.834 120.200 -0.022 0.000 2.545 28 E HA 0.106 4.434 4.350 -0.037 0.000 0.271 28 E C 0.924 177.495 176.600 -0.049 0.000 1.508 28 E CA 0.373 56.753 56.400 -0.033 0.000 1.774 28 E CB -0.214 29.464 29.700 -0.036 0.000 1.460 28 E HN 0.623 nan 8.360 nan 0.000 0.449 29 S N -0.368 115.308 115.700 -0.039 0.000 2.524 29 S HA 0.111 4.559 4.470 -0.037 0.000 0.215 29 S C 1.576 176.154 174.600 -0.037 0.000 0.986 29 S CA -0.232 57.941 58.200 -0.045 0.000 0.911 29 S CB 0.342 63.520 63.200 -0.037 0.000 0.805 29 S HN 0.027 nan 8.310 nan 0.000 0.501 30 K N 1.345 121.730 120.400 -0.025 0.000 2.276 30 K HA 0.325 4.623 4.320 -0.037 0.000 0.198 30 K C 0.356 176.957 176.600 0.001 0.000 1.052 30 K CA 0.458 56.738 56.287 -0.012 0.000 0.984 30 K CB 0.306 32.801 32.500 -0.008 0.000 0.836 30 K HN 0.543 nan 8.250 nan 0.000 0.490 31 R N -1.444 119.057 120.500 0.002 0.000 2.873 31 R HA 0.390 4.708 4.340 -0.037 0.000 0.264 31 R C -0.747 175.578 176.300 0.041 0.000 1.026 31 R CA -0.799 55.323 56.100 0.037 0.000 1.002 31 R CB -0.297 30.026 30.300 0.038 0.000 1.174 31 R HN -0.186 nan 8.270 nan 0.000 0.488 32 F N 2.176 122.106 119.950 -0.033 0.000 2.578 32 F HA 0.239 4.744 4.527 -0.036 0.000 0.376 32 F C -1.722 174.047 175.800 -0.051 0.000 1.085 32 F CA -1.406 56.573 58.000 -0.035 0.000 1.260 32 F CB 0.338 39.319 39.000 -0.032 0.000 1.095 32 F HN 0.428 nan 8.300 nan 0.000 0.573 33 P HA 0.104 nan 4.420 nan 0.000 0.271 33 P C 0.415 177.731 177.300 0.027 0.000 1.218 33 P CA -0.022 63.025 63.100 -0.089 0.000 0.780 33 P CB 0.743 32.342 31.700 -0.169 0.000 0.901 34 L N 0.508 121.657 121.223 -0.124 0.000 2.249 34 L HA 0.077 4.395 4.340 -0.037 0.000 0.207 34 L C 0.881 177.616 176.870 -0.224 0.000 1.090 34 L CA 0.755 55.449 54.840 -0.243 0.000 0.802 34 L CB -0.449 41.295 42.059 -0.526 0.000 0.947 34 L HN 0.444 nan 8.230 nan 0.000 0.453 35 H N 0.282 119.374 119.070 0.038 0.000 2.616 35 H HA 0.400 4.933 4.556 -0.037 0.000 0.353 35 H C -0.387 174.950 175.328 0.014 0.000 1.170 35 H CA -0.910 55.152 56.048 0.023 0.000 1.212 35 H CB 0.950 30.718 29.762 0.010 0.000 1.653 35 H HN 0.059 nan 8.280 nan 0.000 0.537 36 E N 1.110 121.401 120.200 0.152 0.000 2.369 36 E HA 0.340 4.668 4.350 -0.037 0.000 0.255 36 E C -0.031 176.596 176.600 0.045 0.000 1.172 36 E CA -0.372 56.071 56.400 0.072 0.000 0.932 36 E CB 1.572 31.300 29.700 0.047 0.000 1.040 36 E HN 0.368 nan 8.360 nan 0.000 0.454 37 M N 0.162 119.768 119.600 0.011 0.000 2.622 37 M HA 0.337 4.795 4.480 -0.037 0.000 0.276 37 M C -1.290 174.991 176.300 -0.032 0.000 1.265 37 M CA -0.672 54.617 55.300 -0.019 0.000 0.850 37 M CB 2.205 34.788 32.600 -0.028 0.000 1.720 37 M HN 0.320 nan 8.290 nan 0.000 0.465 38 R N 1.774 122.238 120.500 -0.060 0.000 2.489 38 R HA 0.049 4.367 4.340 -0.037 0.000 0.287 38 R C 0.140 176.412 176.300 -0.048 0.000 1.053 38 R CA -0.185 55.880 56.100 -0.058 0.000 1.036 38 R CB 0.392 30.643 30.300 -0.081 0.000 0.966 38 R HN 0.641 nan 8.270 nan 0.000 0.432 39 D N 2.105 122.492 120.400 -0.022 0.000 2.149 39 D HA -0.202 4.416 4.640 -0.037 0.000 0.194 39 D C 0.783 177.102 176.300 0.031 0.000 1.001 39 D CA 1.618 55.620 54.000 0.004 0.000 0.849 39 D CB 0.068 40.869 40.800 0.001 0.000 0.939 39 D HN 0.530 nan 8.370 nan 0.000 0.449 40 D N -0.374 120.031 120.400 0.008 0.000 2.312 40 D HA -0.040 4.578 4.640 -0.037 0.000 0.211 40 D C 2.140 178.464 176.300 0.039 0.000 0.964 40 D CA 0.117 54.149 54.000 0.054 0.000 0.877 40 D CB 0.170 40.980 40.800 0.016 0.000 0.924 40 D HN 0.116 nan 8.370 nan 0.000 0.515 41 V N 0.974 120.822 119.914 -0.109 0.000 2.379 41 V HA -0.085 4.013 4.120 -0.037 0.000 0.243 41 V C 2.499 178.503 176.094 -0.151 0.000 1.035 41 V CA 1.402 63.508 62.300 -0.323 0.000 1.035 41 V CB -0.589 30.908 31.823 -0.544 0.000 0.673 41 V HN 0.148 nan 8.190 nan 0.000 0.457 42 A N -0.025 122.757 122.820 -0.064 0.000 1.908 42 A HA -0.285 4.013 4.320 -0.037 0.000 0.218 42 A C 2.120 179.720 177.584 0.026 0.000 1.181 42 A CA 2.299 54.326 52.037 -0.016 0.000 0.627 42 A CB -0.775 18.227 19.000 0.003 0.000 0.818 42 A HN 0.545 nan 8.150 nan 0.000 0.445 43 F N 0.435 120.370 119.950 -0.026 0.000 2.075 43 F HA -0.212 4.297 4.527 -0.031 0.000 0.297 43 F C 2.437 178.265 175.800 0.046 0.000 1.113 43 F CA 2.351 60.354 58.000 0.005 0.000 1.218 43 F CB -0.578 38.423 39.000 0.002 0.000 0.984 43 F HN 0.296 nan 8.300 nan 0.000 0.472 44 Q N 0.363 120.164 119.800 0.002 0.000 2.096 44 Q HA -0.198 4.120 4.340 -0.037 0.000 0.204 44 Q C 2.322 178.334 176.000 0.019 0.000 0.982 44 Q CA 2.339 58.157 55.803 0.026 0.000 0.850 44 Q CB -0.293 28.641 28.738 0.327 0.000 0.901 44 Q HN 0.552 nan 8.270 nan 0.000 0.422 45 I N -0.016 120.593 120.570 0.066 0.000 2.179 45 I HA -0.301 3.847 4.170 -0.037 0.000 0.242 45 I C 1.984 178.079 176.117 -0.036 0.000 1.088 45 I CA 1.185 62.528 61.300 0.071 0.000 1.357 45 I CB -0.183 37.855 38.000 0.064 0.000 1.051 45 I HN 0.245 nan 8.210 nan 0.000 0.409 46 I N 0.417 120.916 120.570 -0.119 0.000 2.286 46 I HA -0.259 3.889 4.170 -0.037 0.000 0.245 46 I C 2.309 178.308 176.117 -0.197 0.000 1.104 46 I CA 1.197 62.410 61.300 -0.146 0.000 1.397 46 I CB -0.484 37.428 38.000 -0.146 0.000 1.072 46 I HN 0.295 nan 8.210 nan 0.000 0.417 47 N N 1.420 119.898 118.700 -0.370 0.000 2.025 47 N HA -0.242 4.476 4.740 -0.037 0.000 0.194 47 N C 1.495 177.009 175.510 0.006 0.000 1.044 47 N CA 1.957 54.810 53.050 -0.327 0.000 0.851 47 N CB -0.158 37.971 38.487 -0.597 0.000 1.036 47 N HN 0.137 nan 8.380 nan 0.000 0.422 48 D N 0.352 120.780 120.400 0.046 0.000 2.172 48 D HA -0.168 4.450 4.640 -0.037 0.000 0.196 48 D C 1.619 177.983 176.300 0.106 0.000 0.999 48 D CA 1.019 55.083 54.000 0.106 0.000 0.856 48 D CB -0.292 40.489 40.800 -0.032 0.000 0.934 48 D HN 0.587 nan 8.370 nan 0.000 0.453 49 E N -0.026 120.191 120.200 0.028 0.000 2.150 49 E HA -0.071 4.257 4.350 -0.037 0.000 0.193 49 E C 2.200 178.813 176.600 0.022 0.000 0.985 49 E CA 0.345 56.752 56.400 0.012 0.000 0.814 49 E CB -0.060 29.627 29.700 -0.022 0.000 0.752 49 E HN 0.338 nan 8.360 nan 0.000 0.466 50 L N 0.008 121.232 121.223 0.001 0.000 2.465 50 L HA -0.092 4.226 4.340 -0.037 0.000 0.224 50 L C 1.701 178.534 176.870 -0.063 0.000 1.145 50 L CA 0.452 55.259 54.840 -0.055 0.000 0.834 50 L CB -0.343 41.647 42.059 -0.114 0.000 0.944 50 L HN 0.110 nan 8.230 nan 0.000 0.451 51 Y N -0.010 120.249 120.300 -0.068 0.000 2.483 51 Y HA -0.162 4.366 4.550 -0.037 0.000 0.291 51 Y C 2.152 178.020 175.900 -0.053 0.000 1.143 51 Y CA 0.928 58.993 58.100 -0.057 0.000 1.289 51 Y CB -0.205 38.222 38.460 -0.056 0.000 0.983 51 Y HN 0.167 nan 8.280 nan 0.000 0.556 52 L N -0.883 120.387 121.223 0.079 0.000 2.446 52 L HA -0.018 4.300 4.340 -0.037 0.000 0.219 52 L C 0.228 177.091 176.870 -0.010 0.000 1.116 52 L CA 0.069 54.925 54.840 0.026 0.000 0.844 52 L CB -0.238 41.826 42.059 0.008 0.000 0.970 52 L HN 0.011 nan 8.230 nan 0.000 0.457 53 D N 0.715 121.097 120.400 -0.031 0.000 2.382 53 D HA 0.188 4.806 4.640 -0.037 0.000 0.240 53 D C 0.517 176.787 176.300 -0.051 0.000 1.146 53 D CA 0.299 54.268 54.000 -0.051 0.000 0.897 53 D CB 1.212 41.970 40.800 -0.071 0.000 1.197 53 D HN 0.050 nan 8.370 nan 0.000 0.432 54 G N 0.399 109.169 108.800 -0.051 0.000 2.606 54 G HA2 0.110 4.048 3.960 -0.037 0.000 0.252 54 G HA3 0.110 4.048 3.960 -0.037 0.000 0.252 54 G C 0.802 175.667 174.900 -0.059 0.000 1.206 54 G CA -0.471 44.599 45.100 -0.050 0.000 0.861 54 G HN 0.549 nan 8.290 nan 0.000 0.561 55 N N -0.884 117.780 118.700 -0.059 0.000 2.236 55 N HA 0.264 4.982 4.740 -0.037 0.000 0.196 55 N C 1.331 176.811 175.510 -0.050 0.000 1.114 55 N CA 0.864 53.878 53.050 -0.060 0.000 0.859 55 N CB 0.488 38.937 38.487 -0.063 0.000 0.982 55 N HN 1.202 nan 8.380 nan 0.000 0.493 56 A N -0.231 122.562 122.820 -0.045 0.000 3.420 56 A HA -0.300 3.998 4.320 -0.037 0.000 0.269 56 A C 1.630 179.194 177.584 -0.034 0.000 1.122 56 A CA 1.396 53.413 52.037 -0.033 0.000 1.023 56 A CB -1.836 17.148 19.000 -0.026 0.000 1.099 56 A HN 0.313 nan 8.150 nan 0.000 0.860 57 R N -0.493 119.978 120.500 -0.047 0.000 2.235 57 R HA -0.004 4.314 4.340 -0.037 0.000 0.213 57 R C 1.659 177.932 176.300 -0.046 0.000 1.059 57 R CA 1.551 57.620 56.100 -0.053 0.000 0.997 57 R CB -0.245 30.013 30.300 -0.071 0.000 0.884 57 R HN 0.888 nan 8.270 nan 0.000 0.462 58 Q N -0.124 119.635 119.800 -0.069 0.000 2.247 58 Q HA 0.092 4.410 4.340 -0.037 0.000 0.211 58 Q C -0.058 176.007 176.000 0.108 0.000 0.861 58 Q CA -0.304 55.470 55.803 -0.049 0.000 0.949 58 Q CB 0.496 28.969 28.738 -0.441 0.000 1.115 58 Q HN 0.079 nan 8.270 nan 0.000 0.507 59 N N 1.437 120.152 118.700 0.024 0.000 2.411 59 N HA 0.057 4.775 4.740 -0.037 0.000 0.259 59 N C -0.117 175.369 175.510 -0.040 0.000 1.103 59 N CA 0.211 53.277 53.050 0.026 0.000 0.954 59 N CB 0.670 39.165 38.487 0.013 0.000 1.085 59 N HN 0.218 nan 8.380 nan 0.000 0.485 60 L N 2.618 123.809 121.223 -0.052 0.000 2.872 60 L HA 0.302 4.620 4.340 -0.037 0.000 0.245 60 L C 1.451 178.245 176.870 -0.127 0.000 1.211 60 L CA -0.189 54.541 54.840 -0.182 0.000 1.013 60 L CB 0.144 42.042 42.059 -0.269 0.000 1.326 60 L HN 0.499 nan 8.230 nan 0.000 0.525 61 A N -0.922 121.867 122.820 -0.051 0.000 2.220 61 A HA 0.142 4.440 4.320 -0.037 0.000 0.211 61 A C 1.011 178.567 177.584 -0.046 0.000 1.176 61 A CA 0.417 52.443 52.037 -0.018 0.000 0.834 61 A CB 0.226 19.277 19.000 0.086 0.000 0.868 61 A HN 0.255 nan 8.150 nan 0.000 0.488 62 T N -2.453 112.064 114.554 -0.061 0.000 2.912 62 T HA 0.549 4.877 4.350 -0.037 0.000 0.288 62 T C 0.056 174.698 174.700 -0.097 0.000 1.030 62 T CA -0.485 61.635 62.100 0.034 0.000 1.020 62 T CB 0.514 69.444 68.868 0.103 0.000 1.056 62 T HN 0.111 nan 8.240 nan 0.000 0.480 63 F N 0.965 120.885 119.950 -0.050 0.000 2.530 63 F HA 0.280 4.784 4.527 -0.038 0.000 0.292 63 F C 1.752 177.457 175.800 -0.158 0.000 1.109 63 F CA -0.375 57.567 58.000 -0.096 0.000 1.450 63 F CB -0.124 38.863 39.000 -0.021 0.000 1.114 63 F HN 0.420 nan 8.300 nan 0.000 0.560 64 C N 1.637 120.990 119.300 0.089 0.000 2.604 64 C HA 0.203 4.641 4.460 -0.037 0.000 0.396 64 C C 0.664 175.634 174.990 -0.032 0.000 1.282 64 C CA -1.187 57.835 59.018 0.006 0.000 2.292 64 C CB 0.099 27.801 27.740 -0.064 0.000 2.633 64 C HN 0.224 nan 8.230 nan 0.000 0.620 65 Q N 1.340 121.130 119.800 -0.017 0.000 2.337 65 Q HA 0.174 4.492 4.340 -0.037 0.000 0.270 65 Q C 0.975 176.984 176.000 0.016 0.000 1.002 65 Q CA 0.732 56.539 55.803 0.008 0.000 0.888 65 Q CB 0.731 29.497 28.738 0.047 0.000 1.222 65 Q HN 1.008 nan 8.270 nan 0.000 0.400 66 T N -2.816 111.770 114.554 0.053 0.000 3.130 66 T HA 0.100 4.428 4.350 -0.037 0.000 0.288 66 T C -0.095 174.671 174.700 0.110 0.000 0.936 66 T CA -0.555 61.570 62.100 0.043 0.000 0.897 66 T CB -0.003 68.876 68.868 0.017 0.000 1.178 66 T HN 0.436 nan 8.240 nan 0.000 0.543 67 W N 3.006 124.288 121.300 -0.030 0.000 2.202 67 W HA 0.540 5.188 4.660 -0.020 0.000 0.332 67 W C -0.932 175.601 176.519 0.023 0.000 1.263 67 W CA -0.417 56.922 57.345 -0.011 0.000 1.223 67 W CB 0.635 30.089 29.460 -0.010 0.000 1.128 67 W HN 0.052 nan 8.180 nan 0.000 0.573 68 D N 3.463 123.463 120.400 -0.667 0.000 2.256 68 D HA 0.124 4.742 4.640 -0.037 0.000 0.246 68 D C -1.355 174.362 176.300 -0.972 0.000 1.042 68 D CA -0.243 53.446 54.000 -0.519 0.000 0.841 68 D CB 1.902 42.516 40.800 -0.311 0.000 1.223 68 D HN 0.243 nan 8.370 nan 0.000 0.470 69 D N 1.230 121.373 120.400 -0.429 0.000 2.863 69 D HA 0.024 4.642 4.640 -0.037 0.000 0.245 69 D C 0.586 176.837 176.300 -0.082 0.000 1.211 69 D CA -0.450 53.363 54.000 -0.311 0.000 0.888 69 D CB 1.795 42.591 40.800 -0.006 0.000 1.483 69 D HN 0.321 nan 8.370 nan 0.000 0.533 70 E N 2.638 122.758 120.200 -0.134 0.000 2.130 70 E HA -0.231 4.097 4.350 -0.037 0.000 0.196 70 E C 0.826 177.384 176.600 -0.070 0.000 0.998 70 E CA 1.072 57.399 56.400 -0.122 0.000 0.806 70 E CB 0.267 29.895 29.700 -0.120 0.000 0.738 70 E HN 0.411 nan 8.360 nan 0.000 0.459 71 N N 0.075 118.716 118.700 -0.098 0.000 2.188 71 N HA -0.131 4.587 4.740 -0.037 0.000 0.184 71 N C 1.916 177.223 175.510 -0.339 0.000 1.018 71 N CA 0.980 53.882 53.050 -0.247 0.000 0.858 71 N CB -0.333 37.932 38.487 -0.371 0.000 0.989 71 N HN 0.060 nan 8.380 nan 0.000 0.426 72 V N 1.560 121.325 119.914 -0.248 0.000 2.343 72 V HA -0.219 3.879 4.120 -0.037 0.000 0.247 72 V C 2.113 178.139 176.094 -0.113 0.000 1.051 72 V CA 1.458 63.654 62.300 -0.175 0.000 1.036 72 V CB -0.645 31.154 31.823 -0.041 0.000 0.654 72 V HN 0.441 nan 8.190 nan 0.000 0.451 73 H N 0.261 119.245 119.070 -0.144 0.000 2.387 73 H HA -0.115 4.420 4.556 -0.034 0.000 0.299 73 H C 2.406 177.669 175.328 -0.108 0.000 1.090 73 H CA 1.592 57.571 56.048 -0.115 0.000 1.332 73 H CB 0.154 29.847 29.762 -0.114 0.000 1.386 73 H HN 0.457 nan 8.280 nan 0.000 0.516 74 K N 0.555 120.955 120.400 0.000 0.000 2.025 74 K HA -0.079 4.219 4.320 -0.037 0.000 0.207 74 K C 2.410 178.972 176.600 -0.065 0.000 1.049 74 K CA 0.705 56.968 56.287 -0.040 0.000 0.933 74 K CB -0.072 32.389 32.500 -0.064 0.000 0.714 74 K HN 0.172 nan 8.250 nan 0.000 0.438 75 L N 0.562 121.720 121.223 -0.109 0.000 2.046 75 L HA -0.191 4.127 4.340 -0.037 0.000 0.208 75 L C 2.623 179.450 176.870 -0.072 0.000 1.077 75 L CA 0.860 55.642 54.840 -0.096 0.000 0.747 75 L CB -0.356 41.622 42.059 -0.135 0.000 0.896 75 L HN 0.233 nan 8.230 nan 0.000 0.432 76 M N -0.551 118.996 119.600 -0.088 0.000 2.117 76 M HA -0.232 4.226 4.480 -0.037 0.000 0.262 76 M C 1.918 178.176 176.300 -0.070 0.000 1.065 76 M CA 1.727 56.973 55.300 -0.089 0.000 1.114 76 M CB -1.127 31.393 32.600 -0.134 0.000 1.361 76 M HN 0.227 nan 8.290 nan 0.000 0.408 77 D N 0.151 120.518 120.400 -0.055 0.000 2.144 77 D HA -0.096 4.522 4.640 -0.037 0.000 0.200 77 D C 2.005 178.285 176.300 -0.034 0.000 0.978 77 D CA 0.846 54.823 54.000 -0.038 0.000 0.833 77 D CB 0.039 40.827 40.800 -0.021 0.000 0.961 77 D HN 0.307 nan 8.370 nan 0.000 0.470 78 L N -0.374 120.829 121.223 -0.033 0.000 2.362 78 L HA -0.003 4.315 4.340 -0.037 0.000 0.219 78 L C 1.781 178.633 176.870 -0.029 0.000 1.134 78 L CA 0.599 55.425 54.840 -0.023 0.000 0.807 78 L CB 0.008 42.057 42.059 -0.016 0.000 0.927 78 L HN -0.023 nan 8.230 nan 0.000 0.447 79 S N -0.918 114.754 115.700 -0.047 0.000 2.539 79 S HA 0.178 4.626 4.470 -0.037 0.000 0.221 79 S C 1.697 176.244 174.600 -0.089 0.000 0.987 79 S CA -0.299 57.860 58.200 -0.068 0.000 0.929 79 S CB 0.226 63.389 63.200 -0.062 0.000 0.832 79 S HN 0.296 nan 8.310 nan 0.000 0.492 80 I N 2.017 122.547 120.570 -0.067 0.000 2.315 80 I HA -0.239 3.909 4.170 -0.037 0.000 0.251 80 I C 0.892 176.965 176.117 -0.073 0.000 1.125 80 I CA 1.314 62.577 61.300 -0.062 0.000 1.392 80 I CB 0.130 38.106 38.000 -0.041 0.000 1.065 80 I HN 0.218 nan 8.210 nan 0.000 0.424 81 N N 0.618 119.266 118.700 -0.086 0.000 2.205 81 N HA 0.094 4.812 4.740 -0.037 0.000 0.201 81 N C -0.179 175.169 175.510 -0.270 0.000 1.128 81 N CA 0.137 53.130 53.050 -0.095 0.000 0.867 81 N CB 0.235 38.714 38.487 -0.014 0.000 0.996 81 N HN 0.251 nan 8.380 nan 0.000 0.503 82 K N 1.759 121.927 120.400 -0.386 0.000 2.402 82 K HA 0.067 4.365 4.320 -0.037 0.000 0.285 82 K C -0.090 176.124 176.600 -0.645 0.000 1.054 82 K CA -0.108 55.676 56.287 -0.838 0.000 1.001 82 K CB 0.251 32.459 32.500 -0.486 0.000 0.946 82 K HN -0.063 nan 8.250 nan 0.000 0.473 83 N N 3.004 121.191 118.700 -0.855 0.000 2.420 83 N HA -0.016 4.702 4.740 -0.037 0.000 0.249 83 N C 0.285 175.735 175.510 -0.099 0.000 1.033 83 N CA -0.467 52.435 53.050 -0.247 0.000 0.944 83 N CB 0.432 38.891 38.487 -0.048 0.000 1.113 83 N HN 0.633 nan 8.380 nan 0.000 0.502 84 W N 4.973 126.158 121.300 -0.193 0.000 2.341 84 W HA -0.145 4.492 4.660 -0.039 0.000 0.283 84 W C 1.262 177.690 176.519 -0.151 0.000 1.215 84 W CA 0.780 58.036 57.345 -0.149 0.000 1.211 84 W CB -0.015 29.365 29.460 -0.132 0.000 1.131 84 W HN 0.617 nan 8.180 nan 0.000 0.552 85 I N 0.419 120.821 120.570 -0.279 0.000 3.603 85 I HA 0.019 4.167 4.170 -0.037 0.000 0.297 85 I C 0.397 176.239 176.117 -0.459 0.000 1.269 85 I CA 0.732 61.672 61.300 -0.599 0.000 1.361 85 I CB -0.411 37.134 38.000 -0.759 0.000 1.063 85 I HN -0.227 nan 8.210 nan 0.000 0.448 86 D N 0.402 120.664 120.400 -0.230 0.000 2.564 86 D HA 0.075 4.693 4.640 -0.037 0.000 0.226 86 D C 1.196 177.406 176.300 -0.150 0.000 1.149 86 D CA -0.022 53.908 54.000 -0.117 0.000 0.994 86 D CB 0.548 41.405 40.800 0.094 0.000 1.029 86 D HN -0.108 nan 8.370 nan 0.000 0.517 87 K N 0.766 120.952 120.400 -0.357 0.000 2.360 87 K HA -0.098 4.199 4.320 -0.037 0.000 0.201 87 K C 1.596 177.941 176.600 -0.425 0.000 1.046 87 K CA 0.691 56.704 56.287 -0.456 0.000 0.945 87 K CB 0.161 32.211 32.500 -0.749 0.000 0.750 87 K HN 0.437 nan 8.250 nan 0.000 0.464 88 E N -0.195 119.794 120.200 -0.351 0.000 2.051 88 E HA -0.160 4.168 4.350 -0.037 0.000 0.189 88 E C 1.647 178.124 176.600 -0.204 0.000 0.979 88 E CA 0.926 57.204 56.400 -0.204 0.000 0.803 88 E CB 0.138 29.788 29.700 -0.083 0.000 0.761 88 E HN 0.181 nan 8.360 nan 0.000 0.451 89 E N -0.578 119.438 120.200 -0.306 0.000 2.122 89 E HA -0.077 4.250 4.350 -0.037 0.000 0.190 89 E C -0.172 175.993 176.600 -0.725 0.000 0.977 89 E CA 0.797 56.864 56.400 -0.555 0.000 0.820 89 E CB 0.161 29.396 29.700 -0.774 0.000 0.770 89 E HN 0.258 nan 8.360 nan 0.000 0.462 90 Y N 0.462 120.705 120.300 -0.096 0.000 2.723 90 Y HA 0.300 4.828 4.550 -0.037 0.000 0.374 90 Y C -1.778 174.059 175.900 -0.105 0.000 1.062 90 Y CA -2.090 55.960 58.100 -0.083 0.000 1.321 90 Y CB 0.860 39.277 38.460 -0.072 0.000 1.405 90 Y HN 0.139 nan 8.280 nan 0.000 0.583 91 P HA -0.173 nan 4.420 nan 0.000 0.221 91 P C 1.354 178.644 177.300 -0.018 0.000 1.150 91 P CA 1.135 64.204 63.100 -0.052 0.000 0.800 91 P CB 0.686 32.358 31.700 -0.046 0.000 0.787 92 Q N 0.394 120.201 119.800 0.012 0.000 2.096 92 Q HA -0.026 4.292 4.340 -0.037 0.000 0.197 92 Q C 2.405 178.407 176.000 0.004 0.000 0.964 92 Q CA 1.585 57.395 55.803 0.011 0.000 0.838 92 Q CB -1.022 27.732 28.738 0.026 0.000 0.906 92 Q HN 0.098 nan 8.270 nan 0.000 0.444 93 S N 0.377 116.099 115.700 0.038 0.000 2.359 93 S HA -0.209 4.239 4.470 -0.037 0.000 0.224 93 S C 1.945 176.553 174.600 0.014 0.000 1.035 93 S CA 1.121 59.341 58.200 0.033 0.000 1.018 93 S CB -0.688 62.544 63.200 0.053 0.000 0.876 93 S HN 0.580 nan 8.310 nan 0.000 0.448 94 A N 1.727 124.534 122.820 -0.022 0.000 1.892 94 A HA -0.084 4.214 4.320 -0.037 0.000 0.218 94 A C 2.376 179.941 177.584 -0.032 0.000 1.188 94 A CA 2.059 54.052 52.037 -0.073 0.000 0.631 94 A CB -1.218 17.697 19.000 -0.142 0.000 0.822 94 A HN 0.559 nan 8.150 nan 0.000 0.447 95 A N -0.533 122.267 122.820 -0.033 0.000 1.898 95 A HA -0.042 4.256 4.320 -0.037 0.000 0.216 95 A C 2.115 179.655 177.584 -0.074 0.000 1.181 95 A CA 1.505 53.521 52.037 -0.035 0.000 0.620 95 A CB -0.563 18.419 19.000 -0.031 0.000 0.819 95 A HN 0.494 nan 8.150 nan 0.000 0.442 96 I N -0.205 120.288 120.570 -0.127 0.000 2.394 96 I HA -0.231 3.917 4.170 -0.037 0.000 0.251 96 I C 2.198 178.245 176.117 -0.117 0.000 1.136 96 I CA 1.722 62.839 61.300 -0.304 0.000 1.425 96 I CB -0.257 37.536 38.000 -0.344 0.000 1.079 96 I HN 0.441 nan 8.210 nan 0.000 0.425 97 D N 1.018 121.454 120.400 0.060 0.000 2.097 97 D HA -0.186 4.432 4.640 -0.037 0.000 0.195 97 D C 2.198 178.639 176.300 0.233 0.000 0.989 97 D CA 1.487 55.634 54.000 0.246 0.000 0.827 97 D CB -0.076 40.928 40.800 0.341 0.000 0.966 97 D HN 0.239 nan 8.370 nan 0.000 0.456 98 L N -0.312 120.992 121.223 0.136 0.000 2.131 98 L HA -0.057 4.261 4.340 -0.037 0.000 0.210 98 L C 2.763 179.688 176.870 0.091 0.000 1.092 98 L CA 0.803 55.716 54.840 0.122 0.000 0.759 98 L CB -0.356 41.748 42.059 0.076 0.000 0.903 98 L HN 0.043 nan 8.230 nan 0.000 0.435 99 R N -0.844 119.687 120.500 0.052 0.000 2.081 99 R HA -0.140 4.178 4.340 -0.037 0.000 0.235 99 R C 2.438 178.804 176.300 0.111 0.000 1.131 99 R CA 1.688 57.827 56.100 0.064 0.000 0.960 99 R CB -0.572 29.739 30.300 0.018 0.000 0.856 99 R HN 0.400 nan 8.270 nan 0.000 0.436 100 C N -0.048 119.334 119.300 0.136 0.000 2.425 100 C HA -0.052 4.386 4.460 -0.037 0.000 0.277 100 C C 2.679 177.572 174.990 -0.162 0.000 1.280 100 C CA 0.354 59.434 59.018 0.102 0.000 1.744 100 C CB -0.619 27.177 27.740 0.094 0.000 1.989 100 C HN 0.294 nan 8.230 nan 0.000 0.491 101 V N 2.014 121.903 119.914 -0.041 0.000 2.287 101 V HA -0.239 3.859 4.120 -0.037 0.000 0.248 101 V C 2.231 178.283 176.094 -0.069 0.000 1.053 101 V CA 2.208 64.498 62.300 -0.018 0.000 1.027 101 V CB -0.748 31.191 31.823 0.193 0.000 0.646 101 V HN 0.520 nan 8.190 nan 0.000 0.447 102 N N -0.135 118.552 118.700 -0.021 0.000 2.104 102 N HA -0.140 4.578 4.740 -0.037 0.000 0.190 102 N C 1.801 177.239 175.510 -0.120 0.000 1.024 102 N CA 1.674 54.698 53.050 -0.044 0.000 0.853 102 N CB -0.388 38.096 38.487 -0.005 0.000 1.008 102 N HN 0.448 nan 8.380 nan 0.000 0.424 103 M N -0.128 119.393 119.600 -0.130 0.000 2.175 103 M HA -0.089 4.369 4.480 -0.037 0.000 0.264 103 M C 1.950 177.985 176.300 -0.442 0.000 1.063 103 M CA 0.939 56.100 55.300 -0.232 0.000 1.119 103 M CB -0.039 32.465 32.600 -0.160 0.000 1.377 103 M HN -0.077 nan 8.290 nan 0.000 0.415 104 V N 0.165 119.767 119.914 -0.520 0.000 2.323 104 V HA -0.189 3.909 4.120 -0.037 0.000 0.244 104 V C 2.634 178.264 176.094 -0.774 0.000 1.041 104 V CA 1.841 63.637 62.300 -0.840 0.000 1.025 104 V CB -1.208 30.029 31.823 -0.977 0.000 0.656 104 V HN 0.496 nan 8.190 nan 0.000 0.451 105 A N 0.360 122.945 122.820 -0.393 0.000 1.917 105 A HA -0.358 3.940 4.320 -0.037 0.000 0.219 105 A C 2.036 179.526 177.584 -0.158 0.000 1.182 105 A CA 2.547 54.496 52.037 -0.147 0.000 0.633 105 A CB -0.772 18.187 19.000 -0.068 0.000 0.819 105 A HN 0.630 nan 8.150 nan 0.000 0.448 106 D N -0.941 119.318 120.400 -0.234 0.000 2.117 106 D HA -0.113 4.505 4.640 -0.037 0.000 0.198 106 D C 1.731 177.829 176.300 -0.337 0.000 0.982 106 D CA 1.093 54.962 54.000 -0.219 0.000 0.828 106 D CB -0.213 40.473 40.800 -0.190 0.000 0.967 106 D HN 0.241 nan 8.370 nan 0.000 0.464 107 L N -0.412 120.534 121.223 -0.462 0.000 2.127 107 L HA -0.081 4.237 4.340 -0.037 0.000 0.211 107 L C 1.150 177.761 176.870 -0.432 0.000 1.089 107 L CA 1.223 55.741 54.840 -0.537 0.000 0.757 107 L CB -0.314 41.320 42.059 -0.709 0.000 0.899 107 L HN 0.256 nan 8.230 nan 0.000 0.434 108 W N -0.762 120.310 121.300 -0.379 0.000 3.316 108 W HA 0.222 4.860 4.660 -0.036 0.000 0.327 108 W C 0.500 176.897 176.519 -0.203 0.000 1.232 108 W CA -0.186 56.918 57.345 -0.401 0.000 1.805 108 W CB -0.769 28.472 29.460 -0.364 0.000 1.090 108 W HN 0.320 nan 8.180 nan 0.000 0.654 109 H N -1.510 117.605 119.070 0.075 0.000 2.941 109 H HA -0.125 4.409 4.556 -0.036 0.000 0.279 109 H C 0.781 176.170 175.328 0.102 0.000 1.247 109 H CA 0.791 56.857 56.048 0.030 0.000 1.129 109 H CB -1.738 27.989 29.762 -0.058 0.000 1.313 109 H HN 0.073 nan 8.280 nan 0.000 0.384 110 A N 1.263 124.196 122.820 0.189 0.000 2.498 110 A HA 0.367 4.665 4.320 -0.037 0.000 0.239 110 A C -1.559 175.977 177.584 -0.080 0.000 1.068 110 A CA -0.839 51.134 52.037 -0.105 0.000 0.766 110 A CB 0.166 19.026 19.000 -0.232 0.000 1.003 110 A HN 0.033 nan 8.150 nan 0.000 0.497 111 P HA 0.116 nan 4.420 nan 0.000 0.257 111 P C 0.075 177.339 177.300 -0.060 0.000 1.162 111 P CA 0.891 63.949 63.100 -0.070 0.000 0.762 111 P CB 0.182 31.833 31.700 -0.083 0.000 0.753 112 A N 6.239 129.039 122.820 -0.033 0.000 2.580 112 A HA 0.213 4.511 4.320 -0.037 0.000 0.244 112 A C -1.697 175.872 177.584 -0.026 0.000 1.045 112 A CA -0.566 51.455 52.037 -0.027 0.000 0.761 112 A CB -1.139 17.851 19.000 -0.015 0.000 0.962 112 A HN 0.392 nan 8.150 nan 0.000 0.512 113 P HA 0.297 nan 4.420 nan 0.000 0.284 113 P C 0.371 177.667 177.300 -0.008 0.000 1.253 113 P CA -0.613 62.478 63.100 -0.015 0.000 0.800 113 P CB 0.952 32.649 31.700 -0.006 0.000 0.961 114 K N 1.976 122.372 120.400 -0.007 0.000 2.001 114 K HA -0.221 4.077 4.320 -0.037 0.000 0.223 114 K C 1.420 178.020 176.600 0.000 0.000 1.055 114 K CA 2.175 58.460 56.287 -0.004 0.000 0.965 114 K CB -0.532 31.965 32.500 -0.005 0.000 0.730 114 K HN 0.577 nan 8.250 nan 0.000 0.449 115 N N 0.051 118.753 118.700 0.003 0.000 2.434 115 N HA 0.010 4.728 4.740 -0.037 0.000 0.196 115 N C 0.825 176.342 175.510 0.011 0.000 1.183 115 N CA 0.996 54.050 53.050 0.007 0.000 0.849 115 N CB 0.500 38.992 38.487 0.009 0.000 0.992 115 N HN 0.466 nan 8.380 nan 0.000 0.460 116 G N -0.493 108.313 108.800 0.010 0.000 2.159 116 G HA2 -0.295 3.643 3.960 -0.037 0.000 0.256 116 G HA3 -0.295 3.643 3.960 -0.037 0.000 0.256 116 G C -0.247 174.664 174.900 0.020 0.000 0.977 116 G CA 0.384 45.491 45.100 0.013 0.000 0.652 116 G HN 0.645 nan 8.290 nan 0.000 0.531 117 Q N 0.162 119.976 119.800 0.024 0.000 2.294 117 Q HA 0.761 5.079 4.340 -0.037 0.000 0.264 117 Q C 0.190 176.218 176.000 0.046 0.000 0.992 117 Q CA 0.432 56.258 55.803 0.038 0.000 0.747 117 Q CB 1.150 29.917 28.738 0.048 0.000 1.262 117 Q HN 1.146 nan 8.270 nan 0.000 0.452 118 A N 2.477 125.326 122.820 0.048 0.000 2.366 118 A HA 0.535 4.833 4.320 -0.037 0.000 0.250 118 A C -0.531 177.122 177.584 0.116 0.000 1.099 118 A CA -0.351 51.719 52.037 0.055 0.000 0.794 118 A CB 0.583 19.602 19.000 0.033 0.000 1.056 118 A HN 0.570 nan 8.150 nan 0.000 0.499 119 V N 1.306 121.312 119.914 0.154 0.000 2.294 119 V HA 0.641 4.739 4.120 -0.037 0.000 0.272 119 V C 0.687 177.056 176.094 0.459 0.000 1.027 119 V CA 0.654 63.104 62.300 0.249 0.000 0.823 119 V CB -0.101 31.846 31.823 0.207 0.000 1.030 119 V HN 1.374 nan 8.190 nan 0.000 0.457 120 G N 2.547 111.632 108.800 0.476 0.000 2.495 120 G HA2 0.658 4.596 3.960 -0.037 0.000 0.294 120 G HA3 0.658 4.596 3.960 -0.037 0.000 0.294 120 G C -1.213 174.027 174.900 0.567 0.000 1.397 120 G CA -0.221 45.253 45.100 0.624 0.000 0.790 120 G HN 0.538 nan 8.290 nan 0.000 0.486 121 T N -0.562 114.342 114.554 0.583 0.000 2.853 121 T HA 0.487 4.815 4.350 -0.037 0.000 0.311 121 T C -0.979 173.973 174.700 0.419 0.000 1.307 121 T CA -0.734 61.670 62.100 0.508 0.000 1.019 121 T CB 1.677 70.826 68.868 0.469 0.000 1.264 121 T HN 0.742 nan 8.240 nan 0.000 0.497 122 N N 1.165 120.000 118.700 0.225 0.000 2.483 122 N HA 0.501 5.219 4.740 -0.037 0.000 0.269 122 N C -0.412 174.812 175.510 -0.477 0.000 1.209 122 N CA -0.001 52.805 53.050 -0.406 0.000 0.969 122 N CB 1.374 39.475 38.487 -0.644 0.000 1.173 122 N HN 0.848 nan 8.380 nan 0.000 0.475 123 T N -0.561 113.640 114.554 -0.588 0.000 2.812 123 T HA 0.358 4.686 4.350 -0.037 0.000 0.294 123 T C 1.401 175.820 174.700 -0.468 0.000 1.159 123 T CA -0.802 61.026 62.100 -0.453 0.000 1.008 123 T CB 0.779 69.488 68.868 -0.265 0.000 1.289 123 T HN 0.262 nan 8.240 nan 0.000 0.514 124 I N 0.874 121.250 120.570 -0.324 0.000 2.493 124 I HA 0.228 4.376 4.170 -0.037 0.000 0.254 124 I C 1.440 177.478 176.117 -0.132 0.000 1.160 124 I CA 1.714 62.880 61.300 -0.223 0.000 1.445 124 I CB -1.151 36.763 38.000 -0.143 0.000 1.086 124 I HN 1.034 nan 8.210 nan 0.000 0.433 125 G N -1.672 107.038 108.800 -0.149 0.000 2.428 125 G HA2 0.181 4.119 3.960 -0.037 0.000 0.304 125 G HA3 0.181 4.119 3.960 -0.037 0.000 0.304 125 G C 0.113 174.940 174.900 -0.122 0.000 1.303 125 G CA 0.079 45.115 45.100 -0.107 0.000 0.825 125 G HN -0.155 nan 8.290 nan 0.000 0.484 126 S N -0.461 115.196 115.700 -0.073 0.000 2.453 126 S HA 0.008 4.456 4.470 -0.037 0.000 0.231 126 S C 2.524 177.057 174.600 -0.111 0.000 1.005 126 S CA 1.483 59.650 58.200 -0.055 0.000 0.949 126 S CB -0.149 63.049 63.200 -0.005 0.000 0.774 126 S HN 0.517 nan 8.310 nan 0.000 0.510 127 S N 1.283 116.924 115.700 -0.099 0.000 2.351 127 S HA -0.180 4.268 4.470 -0.037 0.000 0.220 127 S C 1.947 176.456 174.600 -0.152 0.000 1.035 127 S CA 1.425 59.544 58.200 -0.136 0.000 1.031 127 S CB -0.327 62.834 63.200 -0.064 0.000 0.928 127 S HN 0.638 nan 8.310 nan 0.000 0.433 128 E N 0.544 120.683 120.200 -0.103 0.000 2.077 128 E HA -0.156 4.172 4.350 -0.037 0.000 0.193 128 E C 2.148 178.652 176.600 -0.161 0.000 0.989 128 E CA 1.001 57.339 56.400 -0.103 0.000 0.800 128 E CB -0.289 29.353 29.700 -0.097 0.000 0.746 128 E HN 0.474 nan 8.360 nan 0.000 0.452 129 A N 0.640 123.372 122.820 -0.147 0.000 1.892 129 A HA -0.254 4.044 4.320 -0.037 0.000 0.218 129 A C 2.509 179.975 177.584 -0.197 0.000 1.188 129 A CA 1.734 53.700 52.037 -0.118 0.000 0.631 129 A CB -1.070 17.913 19.000 -0.028 0.000 0.822 129 A HN 0.542 nan 8.150 nan 0.000 0.447 130 C N -0.408 118.701 119.300 -0.319 0.000 2.446 130 C HA -0.103 4.335 4.460 -0.037 0.000 0.277 130 C C 2.964 177.462 174.990 -0.820 0.000 1.275 130 C CA 1.271 59.890 59.018 -0.665 0.000 1.727 130 C CB -1.059 25.982 27.740 -1.165 0.000 2.010 130 C HN 0.638 nan 8.230 nan 0.000 0.486 131 M N 0.518 119.778 119.600 -0.566 0.000 2.159 131 M HA -0.096 4.362 4.480 -0.037 0.000 0.263 131 M C 2.054 178.068 176.300 -0.476 0.000 1.063 131 M CA 1.723 56.724 55.300 -0.499 0.000 1.110 131 M CB -1.351 31.174 32.600 -0.124 0.000 1.374 131 M HN 0.384 nan 8.290 nan 0.000 0.411 132 L N 0.223 121.252 121.223 -0.323 0.000 1.994 132 L HA -0.100 4.218 4.340 -0.037 0.000 0.208 132 L C 2.889 179.840 176.870 0.135 0.000 1.071 132 L CA 1.510 56.219 54.840 -0.218 0.000 0.745 132 L CB -1.488 40.398 42.059 -0.289 0.000 0.892 132 L HN 0.386 nan 8.230 nan 0.000 0.431 133 G N -0.372 108.406 108.800 -0.036 0.000 2.442 133 G HA2 -0.206 3.732 3.960 -0.037 0.000 0.219 133 G HA3 -0.206 3.732 3.960 -0.037 0.000 0.219 133 G C 1.551 176.362 174.900 -0.148 0.000 1.141 133 G CA 0.809 45.862 45.100 -0.079 0.000 0.763 133 G HN 0.508 nan 8.290 nan 0.000 0.554 134 G N 0.369 108.897 108.800 -0.453 0.000 2.402 134 G HA2 -0.137 3.801 3.960 -0.037 0.000 0.216 134 G HA3 -0.137 3.801 3.960 -0.037 0.000 0.216 134 G C 1.846 176.609 174.900 -0.228 0.000 1.162 134 G CA 0.810 45.467 45.100 -0.739 0.000 0.777 134 G HN 0.392 nan 8.290 nan 0.000 0.539 135 M N 0.637 120.155 119.600 -0.136 0.000 2.159 135 M HA 0.005 4.463 4.480 -0.037 0.000 0.263 135 M C 2.972 179.476 176.300 0.340 0.000 1.063 135 M CA 1.330 56.708 55.300 0.130 0.000 1.110 135 M CB -0.092 32.508 32.600 -0.001 0.000 1.374 135 M HN 0.344 nan 8.290 nan 0.000 0.411 136 A N -0.105 122.919 122.820 0.341 0.000 1.930 136 A HA -0.155 4.143 4.320 -0.037 0.000 0.217 136 A C 2.055 179.871 177.584 0.387 0.000 1.175 136 A CA 1.302 53.554 52.037 0.358 0.000 0.627 136 A CB -0.529 18.785 19.000 0.523 0.000 0.815 136 A HN 0.449 nan 8.150 nan 0.000 0.443 137 M N -0.790 119.014 119.600 0.339 0.000 2.080 137 M HA -0.199 4.259 4.480 -0.037 0.000 0.260 137 M C 2.319 178.848 176.300 0.382 0.000 1.068 137 M CA 2.154 57.639 55.300 0.308 0.000 1.109 137 M CB -0.303 32.417 32.600 0.199 0.000 1.342 137 M HN 0.475 nan 8.290 nan 0.000 0.405 138 K N -0.178 120.485 120.400 0.438 0.000 2.032 138 K HA -0.215 4.083 4.320 -0.037 0.000 0.209 138 K C 2.000 178.909 176.600 0.514 0.000 1.048 138 K CA 1.604 58.182 56.287 0.485 0.000 0.927 138 K CB -0.192 32.620 32.500 0.520 0.000 0.712 138 K HN 0.452 nan 8.250 nan 0.000 0.441 139 W N 1.240 122.688 121.300 0.247 0.000 2.355 139 W HA -0.150 4.488 4.660 -0.036 0.000 0.309 139 W C 2.178 178.789 176.519 0.154 0.000 1.206 139 W CA 1.006 58.456 57.345 0.175 0.000 1.284 139 W CB -0.155 29.361 29.460 0.093 0.000 1.145 139 W HN 0.212 nan 8.180 nan 0.000 0.502 140 R N -0.890 119.845 120.500 0.391 0.000 2.091 140 R HA -0.244 4.074 4.340 -0.037 0.000 0.238 140 R C 1.978 178.424 176.300 0.243 0.000 1.136 140 R CA 2.177 58.437 56.100 0.266 0.000 0.959 140 R CB -1.221 29.233 30.300 0.257 0.000 0.856 140 R HN 0.257 nan 8.270 nan 0.000 0.437 141 W N 1.725 123.098 121.300 0.121 0.000 2.381 141 W HA -0.107 4.531 4.660 -0.037 0.000 0.301 141 W C 2.109 178.651 176.519 0.037 0.000 1.205 141 W CA 1.034 58.427 57.345 0.080 0.000 1.285 141 W CB -0.092 29.422 29.460 0.089 0.000 1.133 141 W HN -0.135 nan 8.180 nan 0.000 0.521 142 R N 0.592 121.077 120.500 -0.024 0.000 2.082 142 R HA -0.184 4.134 4.340 -0.037 0.000 0.234 142 R C 2.275 178.378 176.300 -0.328 0.000 1.136 142 R CA 2.072 57.957 56.100 -0.357 0.000 0.935 142 R CB -0.727 29.423 30.300 -0.249 0.000 0.842 142 R HN 0.219 nan 8.270 nan 0.000 0.430 143 K N 0.045 120.359 120.400 -0.144 0.000 2.113 143 K HA -0.178 4.120 4.320 -0.037 0.000 0.208 143 K C 2.220 178.745 176.600 -0.124 0.000 1.047 143 K CA 1.155 57.386 56.287 -0.094 0.000 0.928 143 K CB -0.156 32.346 32.500 0.003 0.000 0.716 143 K HN 0.153 nan 8.250 nan 0.000 0.446 144 R N 0.113 120.528 120.500 -0.142 0.000 2.075 144 R HA -0.012 4.306 4.340 -0.037 0.000 0.232 144 R C 2.340 178.507 176.300 -0.221 0.000 1.126 144 R CA 1.048 57.066 56.100 -0.137 0.000 0.963 144 R CB 0.024 30.276 30.300 -0.080 0.000 0.858 144 R HN 0.133 nan 8.270 nan 0.000 0.435 145 M N 0.229 119.581 119.600 -0.414 0.000 2.132 145 M HA -0.128 4.330 4.480 -0.037 0.000 0.263 145 M C 1.748 177.890 176.300 -0.264 0.000 1.065 145 M CA 1.618 56.671 55.300 -0.412 0.000 1.122 145 M CB -0.780 31.384 32.600 -0.727 0.000 1.365 145 M HN 0.139 nan 8.290 nan 0.000 0.411 146 E N 0.412 120.462 120.200 -0.250 0.000 2.153 146 E HA -0.111 4.217 4.350 -0.037 0.000 0.194 146 E C 2.097 178.630 176.600 -0.112 0.000 0.988 146 E CA 1.199 57.501 56.400 -0.164 0.000 0.811 146 E CB -0.090 29.521 29.700 -0.148 0.000 0.746 146 E HN 0.505 nan 8.360 nan 0.000 0.466 147 A N 1.270 124.026 122.820 -0.106 0.000 1.898 147 A HA -0.010 4.288 4.320 -0.037 0.000 0.216 147 A C 2.249 179.793 177.584 -0.066 0.000 1.181 147 A CA 1.391 53.385 52.037 -0.072 0.000 0.620 147 A CB -0.357 18.606 19.000 -0.061 0.000 0.819 147 A HN 0.259 nan 8.150 nan 0.000 0.442 148 A N -1.119 121.652 122.820 -0.081 0.000 2.252 148 A HA 0.409 4.707 4.320 -0.037 0.000 0.207 148 A C 1.661 179.208 177.584 -0.062 0.000 1.194 148 A CA 1.019 53.017 52.037 -0.064 0.000 0.809 148 A CB -1.346 17.615 19.000 -0.065 0.000 0.814 148 A HN 1.852 nan 8.150 nan 0.000 0.482 149 G N -0.045 108.713 108.800 -0.070 0.000 2.321 149 G HA2 -0.297 3.641 3.960 -0.037 0.000 0.287 149 G HA3 -0.297 3.641 3.960 -0.037 0.000 0.287 149 G C 0.140 175.004 174.900 -0.060 0.000 1.018 149 G CA 0.982 46.046 45.100 -0.060 0.000 0.855 149 G HN 0.654 nan 8.290 nan 0.000 0.507 150 K N -0.024 120.326 120.400 -0.083 0.000 2.185 150 K HA 0.560 4.858 4.320 -0.037 0.000 0.240 150 K C -2.387 174.162 176.600 -0.086 0.000 0.983 150 K CA -2.074 54.172 56.287 -0.069 0.000 0.873 150 K CB 1.296 33.758 32.500 -0.063 0.000 1.118 150 K HN -0.005 nan 8.250 nan 0.000 0.441 151 P HA 0.043 nan 4.420 nan 0.000 0.272 151 P C -0.014 177.273 177.300 -0.023 0.000 1.223 151 P CA -0.225 62.864 63.100 -0.018 0.000 0.784 151 P CB 0.540 32.257 31.700 0.029 0.000 0.923 152 T N -4.045 110.506 114.554 -0.005 0.000 3.231 152 T HA 0.062 4.390 4.350 -0.037 0.000 0.292 152 T C 0.655 175.508 174.700 0.256 0.000 1.001 152 T CA -0.268 61.860 62.100 0.046 0.000 0.920 152 T CB -0.516 68.251 68.868 -0.167 0.000 1.140 152 T HN 0.406 nan 8.240 nan 0.000 0.525 153 D N 1.599 122.105 120.400 0.176 0.000 2.347 153 D HA -0.022 4.596 4.640 -0.037 0.000 0.213 153 D C 0.590 176.971 176.300 0.136 0.000 0.985 153 D CA 0.104 54.184 54.000 0.134 0.000 0.879 153 D CB 0.121 40.969 40.800 0.079 0.000 0.919 153 D HN 0.371 nan 8.370 nan 0.000 0.526 154 K N 1.735 122.240 120.400 0.174 0.000 3.022 154 K HA 0.281 4.579 4.320 -0.037 0.000 0.178 154 K C -2.585 174.022 176.600 0.011 0.000 1.089 154 K CA -1.449 54.892 56.287 0.090 0.000 0.916 154 K CB 1.760 34.306 32.500 0.076 0.000 1.159 154 K HN 0.127 nan 8.250 nan 0.000 0.592 155 P HA -0.004 nan 4.420 nan 0.000 0.271 155 P C -1.082 176.052 177.300 -0.277 0.000 1.216 155 P CA -0.191 62.628 63.100 -0.468 0.000 0.776 155 P CB 0.682 32.084 31.700 -0.497 0.000 0.881 156 N N 1.866 120.374 118.700 -0.321 0.000 2.312 156 N HA 0.559 5.277 4.740 -0.037 0.000 0.296 156 N C -1.373 174.029 175.510 -0.179 0.000 1.193 156 N CA -1.007 51.935 53.050 -0.180 0.000 0.773 156 N CB 1.409 39.823 38.487 -0.121 0.000 1.435 156 N HN 0.227 nan 8.380 nan 0.000 0.484 157 L N 1.561 122.729 121.223 -0.093 0.000 2.362 157 L HA 0.649 4.967 4.340 -0.037 0.000 0.275 157 L C -1.442 175.365 176.870 -0.104 0.000 0.998 157 L CA -0.910 53.885 54.840 -0.076 0.000 0.820 157 L CB 1.742 43.825 42.059 0.039 0.000 1.270 157 L HN 0.529 nan 8.230 nan 0.000 0.415 158 V N 4.388 124.222 119.914 -0.134 0.000 2.459 158 V HA 0.655 4.753 4.120 -0.037 0.000 0.295 158 V C 0.018 176.017 176.094 -0.158 0.000 1.029 158 V CA -0.334 61.887 62.300 -0.131 0.000 0.874 158 V CB 1.550 33.294 31.823 -0.131 0.000 0.985 158 V HN 1.023 nan 8.190 nan 0.000 0.438 159 C N 2.306 121.523 119.300 -0.138 0.000 3.275 159 C HA 0.921 5.359 4.460 -0.037 0.000 0.340 159 C C 0.422 175.366 174.990 -0.077 0.000 1.366 159 C CA -0.121 58.806 59.018 -0.152 0.000 1.227 159 C CB 1.096 28.680 27.740 -0.259 0.000 1.512 159 C HN 1.033 nan 8.230 nan 0.000 0.461 160 G N -0.340 108.438 108.800 -0.037 0.000 2.782 160 G HA2 0.764 4.702 3.960 -0.037 0.000 0.201 160 G HA3 0.764 4.702 3.960 -0.037 0.000 0.201 160 G C -2.460 172.483 174.900 0.072 0.000 1.374 160 G CA -0.813 44.309 45.100 0.036 0.000 1.039 160 G HN 0.803 nan 8.290 nan 0.000 0.576 161 P HA 0.134 nan 4.420 nan 0.000 0.238 161 P C 0.529 178.039 177.300 0.350 0.000 1.729 161 P CA -0.161 63.051 63.100 0.186 0.000 1.055 161 P CB -0.463 31.303 31.700 0.110 0.000 1.980 162 V N -0.741 119.346 119.914 0.288 0.000 3.096 162 V HA 0.167 4.265 4.120 -0.037 0.000 0.306 162 V C 0.748 177.109 176.094 0.445 0.000 1.088 162 V CA -0.673 61.821 62.300 0.322 0.000 1.129 162 V CB 0.250 32.225 31.823 0.253 0.000 1.014 162 V HN 0.238 nan 8.190 nan 0.000 0.486 163 Q N 1.134 121.161 119.800 0.379 0.000 2.394 163 Q HA 0.192 4.510 4.340 -0.037 0.000 0.248 163 Q C 1.004 177.186 176.000 0.304 0.000 0.992 163 Q CA 0.124 56.069 55.803 0.237 0.000 0.888 163 Q CB 1.142 29.938 28.738 0.096 0.000 1.257 163 Q HN 0.934 nan 8.270 nan 0.000 0.462 164 I N 2.855 123.521 120.570 0.160 0.000 2.315 164 I HA -0.390 3.758 4.170 -0.037 0.000 0.251 164 I C 2.315 178.496 176.117 0.107 0.000 1.125 164 I CA 1.705 63.066 61.300 0.102 0.000 1.392 164 I CB -0.056 37.815 38.000 -0.215 0.000 1.065 164 I HN 0.915 nan 8.210 nan 0.000 0.424 165 C N -0.341 118.956 119.300 -0.004 0.000 2.398 165 C HA -0.227 4.211 4.460 -0.037 0.000 0.279 165 C C 2.314 177.235 174.990 -0.116 0.000 1.250 165 C CA 0.490 59.435 59.018 -0.121 0.000 1.786 165 C CB -2.186 25.390 27.740 -0.273 0.000 2.018 165 C HN 0.720 nan 8.230 nan 0.000 0.494 166 W N 0.009 121.391 121.300 0.136 0.000 2.519 166 W HA 0.078 4.717 4.660 -0.036 0.000 0.266 166 W C 2.890 179.480 176.519 0.119 0.000 1.253 166 W CA 1.046 58.473 57.345 0.137 0.000 1.274 166 W CB -0.598 28.897 29.460 0.058 0.000 1.114 166 W HN 0.503 nan 8.180 nan 0.000 0.596 167 H N 0.224 119.437 119.070 0.240 0.000 2.389 167 H HA -0.051 4.483 4.556 -0.037 0.000 0.299 167 H C 1.895 177.207 175.328 -0.027 0.000 1.081 167 H CA 1.225 57.340 56.048 0.112 0.000 1.345 167 H CB 0.059 29.860 29.762 0.064 0.000 1.393 167 H HN 0.220 nan 8.280 nan 0.000 0.520 168 K N 0.487 120.891 120.400 0.007 0.000 1.984 168 K HA -0.136 4.162 4.320 -0.037 0.000 0.209 168 K C 2.113 178.515 176.600 -0.330 0.000 1.046 168 K CA 1.069 57.105 56.287 -0.419 0.000 0.934 168 K CB -0.433 31.858 32.500 -0.347 0.000 0.717 168 K HN 0.059 nan 8.250 nan 0.000 0.438 169 F N 2.088 122.029 119.950 -0.015 0.000 2.063 169 F HA -0.354 4.151 4.527 -0.037 0.000 0.298 169 F C 2.195 178.214 175.800 0.365 0.000 1.105 169 F CA 1.907 60.100 58.000 0.322 0.000 1.215 169 F CB -0.695 38.415 39.000 0.184 0.000 0.972 169 F HN 0.050 nan 8.300 nan 0.000 0.483 170 A N -0.010 122.811 122.820 0.002 0.000 1.902 170 A HA -0.210 4.088 4.320 -0.037 0.000 0.217 170 A C 2.236 179.754 177.584 -0.110 0.000 1.181 170 A CA 1.900 53.856 52.037 -0.135 0.000 0.623 170 A CB -0.859 18.159 19.000 0.030 0.000 0.818 170 A HN 0.459 nan 8.150 nan 0.000 0.443 171 R N -1.155 119.292 120.500 -0.089 0.000 2.088 171 R HA -0.171 4.147 4.340 -0.037 0.000 0.232 171 R C 1.961 178.270 176.300 0.015 0.000 1.136 171 R CA 2.141 58.204 56.100 -0.062 0.000 0.926 171 R CB -0.858 29.373 30.300 -0.115 0.000 0.837 171 R HN 0.555 nan 8.270 nan 0.000 0.429 172 Y N -1.430 118.796 120.300 -0.123 0.000 2.256 172 Y HA -0.218 4.310 4.550 -0.037 0.000 0.288 172 Y C 1.566 177.171 175.900 -0.492 0.000 1.155 172 Y CA 0.483 58.365 58.100 -0.363 0.000 1.203 172 Y CB -0.389 37.729 38.460 -0.569 0.000 0.980 172 Y HN 0.288 nan 8.280 nan 0.000 0.530 173 W N -0.072 121.196 121.300 -0.053 0.000 2.991 173 W HA 0.178 4.815 4.660 -0.037 0.000 0.391 173 W C -0.292 176.162 176.519 -0.109 0.000 1.054 173 W CA -0.013 57.277 57.345 -0.091 0.000 1.856 173 W CB 0.167 29.487 29.460 -0.234 0.000 1.132 173 W HN 0.067 nan 8.180 nan 0.000 0.601 174 D N 0.497 120.919 120.400 0.036 0.000 2.746 174 D HA -0.138 4.480 4.640 -0.037 0.000 0.236 174 D C -0.389 175.914 176.300 0.004 0.000 1.129 174 D CA 0.758 54.772 54.000 0.024 0.000 0.691 174 D CB -1.577 39.253 40.800 0.051 0.000 1.077 174 D HN -0.143 nan 8.370 nan 0.000 0.432 175 V N 0.336 120.219 119.914 -0.053 0.000 2.581 175 V HA 0.263 4.361 4.120 -0.037 0.000 0.303 175 V C 0.731 176.800 176.094 -0.043 0.000 1.041 175 V CA -0.842 61.422 62.300 -0.059 0.000 0.907 175 V CB 2.223 34.000 31.823 -0.076 0.000 0.994 175 V HN 0.090 nan 8.190 nan 0.000 0.442 176 E N 3.774 123.949 120.200 -0.042 0.000 2.290 176 E HA 0.202 4.530 4.350 -0.037 0.000 0.277 176 E C -0.926 175.657 176.600 -0.029 0.000 1.035 176 E CA -0.435 55.947 56.400 -0.030 0.000 0.873 176 E CB 0.877 30.557 29.700 -0.033 0.000 1.029 176 E HN 0.541 nan 8.360 nan 0.000 0.419 177 L N 6.389 127.601 121.223 -0.019 0.000 2.283 177 L HA 0.238 4.556 4.340 -0.037 0.000 0.287 177 L C -0.157 176.688 176.870 -0.042 0.000 1.073 177 L CA -0.148 54.673 54.840 -0.030 0.000 0.822 177 L CB 0.303 42.331 42.059 -0.051 0.000 1.186 177 L HN 0.616 nan 8.230 nan 0.000 0.436 178 R N 4.176 124.644 120.500 -0.055 0.000 2.825 178 R HA 0.143 4.461 4.340 -0.037 0.000 0.261 178 R C -0.195 176.070 176.300 -0.058 0.000 1.341 178 R CA -0.223 55.846 56.100 -0.051 0.000 1.353 178 R CB 0.439 30.704 30.300 -0.058 0.000 1.191 178 R HN 0.528 nan 8.270 nan 0.000 0.590 179 E N 3.159 123.331 120.200 -0.046 0.000 2.180 179 E HA 0.065 4.393 4.350 -0.037 0.000 0.283 179 E C -0.478 176.110 176.600 -0.021 0.000 1.061 179 E CA -0.755 55.622 56.400 -0.038 0.000 0.861 179 E CB 0.583 30.270 29.700 -0.022 0.000 1.056 179 E HN 0.278 nan 8.360 nan 0.000 0.407 180 I N 8.473 129.029 120.570 -0.024 0.000 2.581 180 I HA 0.030 4.178 4.170 -0.037 0.000 0.285 180 I C -1.853 174.255 176.117 -0.016 0.000 1.129 180 I CA -1.473 59.816 61.300 -0.018 0.000 1.397 180 I CB 0.350 38.341 38.000 -0.015 0.000 1.399 180 I HN 0.456 nan 8.210 nan 0.000 0.537 181 P HA 0.145 nan 4.420 nan 0.000 0.276 181 P C -0.510 176.750 177.300 -0.066 0.000 1.230 181 P CA -0.482 62.598 63.100 -0.033 0.000 0.776 181 P CB 0.622 32.306 31.700 -0.025 0.000 0.888 182 M N 3.593 123.131 119.600 -0.104 0.000 2.248 182 M HA 0.113 4.571 4.480 -0.037 0.000 0.345 182 M C 1.035 177.256 176.300 -0.131 0.000 1.243 182 M CA 0.930 56.132 55.300 -0.164 0.000 1.090 182 M CB -0.013 32.451 32.600 -0.225 0.000 1.683 182 M HN 0.410 nan 8.290 nan 0.000 0.450 183 R N 2.751 123.166 120.500 -0.142 0.000 2.799 183 R HA 0.730 5.048 4.340 -0.037 0.000 0.270 183 R C -3.196 173.036 176.300 -0.113 0.000 1.010 183 R CA -1.969 54.069 56.100 -0.103 0.000 0.916 183 R CB 0.260 30.519 30.300 -0.068 0.000 1.228 183 R HN 0.193 nan 8.270 nan 0.000 0.469 184 P HA 0.114 nan 4.420 nan 0.000 0.267 184 P C 0.329 177.590 177.300 -0.064 0.000 1.205 184 P CA 1.192 64.247 63.100 -0.074 0.000 0.765 184 P CB 0.933 32.603 31.700 -0.050 0.000 0.828 185 G N 2.269 111.030 108.800 -0.066 0.000 2.155 185 G HA2 -0.286 3.652 3.960 -0.037 0.000 0.257 185 G HA3 -0.286 3.652 3.960 -0.037 0.000 0.257 185 G C 0.257 175.127 174.900 -0.049 0.000 0.983 185 G CA 0.274 45.351 45.100 -0.039 0.000 0.676 185 G HN 0.608 nan 8.290 nan 0.000 0.528 186 Q N -0.815 118.923 119.800 -0.103 0.000 3.853 186 Q HA 0.548 4.866 4.340 -0.037 0.000 0.220 186 Q C 1.172 177.029 176.000 -0.239 0.000 0.826 186 Q CA -0.388 55.348 55.803 -0.112 0.000 0.821 186 Q CB -0.034 28.666 28.738 -0.064 0.000 1.546 186 Q HN 0.261 nan 8.270 nan 0.000 0.410 187 L N 0.646 121.568 121.223 -0.502 0.000 2.375 187 L HA 0.286 4.604 4.340 -0.037 0.000 0.215 187 L C -0.195 176.157 176.870 -0.863 0.000 1.108 187 L CA 0.585 54.882 54.840 -0.905 0.000 0.830 187 L CB 0.162 41.331 42.059 -1.484 0.000 0.959 187 L HN 0.310 nan 8.230 nan 0.000 0.457 188 F N -1.477 118.488 119.950 0.024 0.000 2.618 188 F HA 0.373 4.878 4.527 -0.037 0.000 0.332 188 F C 0.366 176.181 175.800 0.025 0.000 1.061 188 F CA -1.618 56.401 58.000 0.032 0.000 0.974 188 F CB 1.078 40.114 39.000 0.060 0.000 1.310 188 F HN -0.293 nan 8.300 nan 0.000 0.491 189 M N 3.775 123.511 119.600 0.227 0.000 2.427 189 M HA 0.093 4.551 4.480 -0.037 0.000 0.345 189 M C -0.530 175.846 176.300 0.126 0.000 1.653 189 M CA 0.141 55.510 55.300 0.116 0.000 1.138 189 M CB -0.419 32.221 32.600 0.066 0.000 1.995 189 M HN 0.616 nan 8.290 nan 0.000 0.459 190 D N 5.625 126.079 120.400 0.091 0.000 2.277 190 D HA 0.327 4.945 4.640 -0.037 0.000 0.250 190 D C -2.479 173.849 176.300 0.047 0.000 1.032 190 D CA -1.784 52.267 54.000 0.085 0.000 0.947 190 D CB 0.753 41.598 40.800 0.074 0.000 1.159 190 D HN 0.285 nan 8.370 nan 0.000 0.460 191 P HA -0.159 nan 4.420 nan 0.000 0.215 191 P C 1.463 178.765 177.300 0.003 0.000 1.153 191 P CA 1.522 64.634 63.100 0.021 0.000 0.853 191 P CB 0.225 31.945 31.700 0.033 0.000 0.788 192 K N -0.222 120.186 120.400 0.014 0.000 2.002 192 K HA -0.139 4.159 4.320 -0.037 0.000 0.209 192 K C 2.266 178.862 176.600 -0.007 0.000 1.048 192 K CA 1.436 57.728 56.287 0.008 0.000 0.930 192 K CB -0.169 32.340 32.500 0.016 0.000 0.714 192 K HN -0.125 nan 8.250 nan 0.000 0.438 193 R N 0.205 120.702 120.500 -0.005 0.000 2.096 193 R HA -0.081 4.237 4.340 -0.037 0.000 0.235 193 R C 2.392 178.668 176.300 -0.041 0.000 1.127 193 R CA 1.643 57.733 56.100 -0.017 0.000 0.968 193 R CB -0.198 30.097 30.300 -0.008 0.000 0.861 193 R HN 0.340 nan 8.270 nan 0.000 0.440 194 M N 0.433 120.005 119.600 -0.047 0.000 2.080 194 M HA -0.224 4.234 4.480 -0.037 0.000 0.260 194 M C 1.661 177.870 176.300 -0.151 0.000 1.068 194 M CA 1.771 57.019 55.300 -0.087 0.000 1.109 194 M CB -0.015 32.540 32.600 -0.076 0.000 1.342 194 M HN 0.107 nan 8.290 nan 0.000 0.405 195 I N 0.594 121.073 120.570 -0.151 0.000 2.226 195 I HA -0.265 3.883 4.170 -0.037 0.000 0.245 195 I C 2.043 178.056 176.117 -0.174 0.000 1.100 195 I CA 1.677 62.836 61.300 -0.235 0.000 1.374 195 I CB -1.527 36.401 38.000 -0.120 0.000 1.057 195 I HN 0.403 nan 8.210 nan 0.000 0.413 196 E N 0.779 120.932 120.200 -0.077 0.000 2.209 196 E HA -0.159 4.169 4.350 -0.037 0.000 0.196 196 E C 2.036 178.602 176.600 -0.056 0.000 0.993 196 E CA 1.306 57.682 56.400 -0.039 0.000 0.819 196 E CB -0.100 29.590 29.700 -0.015 0.000 0.745 196 E HN 0.496 nan 8.360 nan 0.000 0.477 197 A N -0.150 122.616 122.820 -0.090 0.000 2.238 197 A HA 0.066 4.364 4.320 -0.037 0.000 0.210 197 A C 0.728 178.246 177.584 -0.111 0.000 1.179 197 A CA -0.172 51.815 52.037 -0.082 0.000 0.827 197 A CB 0.091 19.045 19.000 -0.077 0.000 0.856 197 A HN 0.200 nan 8.150 nan 0.000 0.488 198 C N 1.553 120.736 119.300 -0.194 0.000 2.463 198 C HA 0.602 5.040 4.460 -0.037 0.000 0.380 198 C C 0.066 175.015 174.990 -0.067 0.000 1.264 198 C CA -0.176 58.694 59.018 -0.247 0.000 2.161 198 C CB 0.288 27.648 27.740 -0.634 0.000 2.515 198 C HN 0.779 nan 8.230 nan 0.000 0.565 199 D N -0.003 120.424 120.400 0.044 0.000 2.768 199 D HA 0.219 4.837 4.640 -0.037 0.000 0.327 199 D C 0.029 176.456 176.300 0.210 0.000 1.302 199 D CA -0.657 53.453 54.000 0.184 0.000 0.897 199 D CB 0.112 40.985 40.800 0.122 0.000 1.420 199 D HN 0.428 nan 8.370 nan 0.000 0.494 200 E N -0.546 119.787 120.200 0.221 0.000 2.463 200 E HA -0.031 4.297 4.350 -0.037 0.000 0.201 200 E C 0.647 177.476 176.600 0.381 0.000 1.045 200 E CA 0.815 57.373 56.400 0.263 0.000 0.872 200 E CB -0.469 29.350 29.700 0.199 0.000 0.797 200 E HN 0.309 nan 8.360 nan 0.000 0.538 201 N N 0.395 119.246 118.700 0.253 0.000 2.299 201 N HA 0.003 4.721 4.740 -0.037 0.000 0.187 201 N C -0.257 175.073 175.510 -0.299 0.000 1.099 201 N CA 0.278 53.434 53.050 0.176 0.000 0.867 201 N CB 0.416 38.973 38.487 0.116 0.000 0.974 201 N HN 0.055 nan 8.380 nan 0.000 0.477 202 T N 2.575 117.043 114.554 -0.144 0.000 2.792 202 T HA 0.050 4.378 4.350 -0.037 0.000 0.286 202 T C 1.949 176.435 174.700 -0.355 0.000 0.970 202 T CA -0.081 61.884 62.100 -0.225 0.000 1.187 202 T CB 0.304 69.109 68.868 -0.104 0.000 0.915 202 T HN 0.260 nan 8.240 nan 0.000 0.529 203 I N 0.942 121.221 120.570 -0.485 0.000 2.761 203 I HA 0.388 4.536 4.170 -0.037 0.000 0.261 203 I C 1.008 177.096 176.117 -0.047 0.000 1.198 203 I CA 0.182 61.260 61.300 -0.371 0.000 1.482 203 I CB -0.088 37.737 38.000 -0.291 0.000 1.100 203 I HN 0.674 nan 8.210 nan 0.000 0.445 204 G N -0.057 108.703 108.800 -0.067 0.000 2.325 204 G HA2 0.438 4.376 3.960 -0.037 0.000 0.297 204 G HA3 0.438 4.376 3.960 -0.037 0.000 0.297 204 G C -1.742 173.106 174.900 -0.087 0.000 1.448 204 G CA -0.474 44.610 45.100 -0.028 0.000 0.838 204 G HN -0.055 nan 8.290 nan 0.000 0.579 205 V N -0.200 119.660 119.914 -0.089 0.000 2.555 205 V HA 0.695 4.793 4.120 -0.037 0.000 0.302 205 V C -0.220 175.780 176.094 -0.156 0.000 1.038 205 V CA -0.733 61.488 62.300 -0.132 0.000 0.887 205 V CB 1.828 33.583 31.823 -0.114 0.000 0.991 205 V HN 0.768 nan 8.190 nan 0.000 0.434 206 V N 6.410 126.179 119.914 -0.243 0.000 2.325 206 V HA 0.376 4.474 4.120 -0.037 0.000 0.280 206 V C -2.463 173.491 176.094 -0.233 0.000 1.016 206 V CA -1.773 60.344 62.300 -0.305 0.000 0.818 206 V CB 1.583 32.994 31.823 -0.686 0.000 1.019 206 V HN 0.742 nan 8.190 nan 0.000 0.434 207 P HA 0.313 nan 4.420 nan 0.000 0.275 207 P C -0.263 176.996 177.300 -0.068 0.000 1.228 207 P CA -0.094 62.952 63.100 -0.090 0.000 0.786 207 P CB 0.587 32.242 31.700 -0.075 0.000 0.927 208 T N 3.007 117.554 114.554 -0.013 0.000 2.770 208 T HA 0.261 4.589 4.350 -0.037 0.000 0.297 208 T C -0.333 174.409 174.700 0.070 0.000 0.997 208 T CA -0.012 62.113 62.100 0.042 0.000 0.949 208 T CB -0.392 68.522 68.868 0.078 0.000 0.941 208 T HN 0.154 nan 8.240 nan 0.000 0.457 209 F N 3.667 123.519 119.950 -0.163 0.000 2.669 209 F HA 0.502 5.007 4.527 -0.037 0.000 0.353 209 F C 1.060 176.839 175.800 -0.036 0.000 1.192 209 F CA -0.885 56.953 58.000 -0.270 0.000 1.317 209 F CB -0.592 38.066 39.000 -0.569 0.000 1.652 209 F HN 0.816 nan 8.300 nan 0.000 0.608 210 G N 2.101 110.898 108.800 -0.006 0.000 2.421 210 G HA2 0.010 3.948 3.960 -0.037 0.000 0.360 210 G HA3 0.010 3.948 3.960 -0.037 0.000 0.360 210 G C -1.224 173.692 174.900 0.026 0.000 1.219 210 G CA -0.872 44.198 45.100 -0.051 0.000 1.257 210 G HN 0.241 nan 8.290 nan 0.000 0.609 211 V N 2.306 122.225 119.914 0.008 0.000 2.529 211 V HA 0.188 4.286 4.120 -0.037 0.000 0.292 211 V C 2.041 178.255 176.094 0.200 0.000 1.028 211 V CA 1.085 63.464 62.300 0.130 0.000 1.074 211 V CB 0.885 32.822 31.823 0.189 0.000 0.958 211 V HN 0.786 nan 8.190 nan 0.000 0.481 212 T N 3.907 118.557 114.554 0.160 0.000 2.684 212 T HA -0.202 4.126 4.350 -0.037 0.000 0.267 212 T C 1.476 176.280 174.700 0.174 0.000 1.036 212 T CA 2.076 64.223 62.100 0.079 0.000 1.148 212 T CB -0.348 68.376 68.868 -0.240 0.000 0.863 212 T HN 0.707 nan 8.240 nan 0.000 0.436 213 Y N 1.574 121.964 120.300 0.149 0.000 2.293 213 Y HA -0.095 4.433 4.550 -0.036 0.000 0.291 213 Y C 2.996 179.074 175.900 0.298 0.000 1.137 213 Y CA 1.239 59.454 58.100 0.192 0.000 1.202 213 Y CB -0.355 38.220 38.460 0.191 0.000 0.990 213 Y HN 0.407 nan 8.280 nan 0.000 0.537 214 T N -6.273 108.531 114.554 0.416 0.000 2.966 214 T HA 0.473 4.801 4.350 -0.037 0.000 0.254 214 T C 1.652 176.458 174.700 0.176 0.000 0.961 214 T CA 0.545 62.825 62.100 0.300 0.000 0.915 214 T CB 0.570 69.666 68.868 0.379 0.000 1.186 214 T HN 0.360 nan 8.240 nan 0.000 0.505 215 G N 1.772 110.646 108.800 0.124 0.000 2.218 215 G HA2 -0.190 3.748 3.960 -0.037 0.000 0.216 215 G HA3 -0.190 3.748 3.960 -0.037 0.000 0.216 215 G C -0.050 174.725 174.900 -0.209 0.000 0.994 215 G CA -0.156 44.937 45.100 -0.013 0.000 0.637 215 G HN 0.639 nan 8.290 nan 0.000 0.505 216 N N 0.150 118.709 118.700 -0.234 0.000 2.503 216 N HA 0.419 5.137 4.740 -0.037 0.000 0.267 216 N C -0.612 174.565 175.510 -0.556 0.000 1.214 216 N CA -0.040 52.734 53.050 -0.460 0.000 0.959 216 N CB 0.564 38.676 38.487 -0.624 0.000 1.142 216 N HN 0.084 nan 8.380 nan 0.000 0.455 217 Y N 0.829 120.744 120.300 -0.642 0.000 2.319 217 Y HA 0.109 4.637 4.550 -0.037 0.000 0.328 217 Y C 0.838 176.246 175.900 -0.821 0.000 1.133 217 Y CA -0.290 57.304 58.100 -0.842 0.000 1.265 217 Y CB 0.434 38.133 38.460 -1.267 0.000 1.218 217 Y HN 0.310 nan 8.280 nan 0.000 0.508 218 E N 3.216 123.232 120.200 -0.306 0.000 2.167 218 E HA 0.235 4.563 4.350 -0.037 0.000 0.284 218 E C -1.327 175.199 176.600 -0.123 0.000 1.016 218 E CA -0.439 55.856 56.400 -0.174 0.000 0.817 218 E CB 0.626 30.302 29.700 -0.039 0.000 1.080 218 E HN 0.335 nan 8.360 nan 0.000 0.397 219 F N 4.321 124.323 119.950 0.087 0.000 2.424 219 F HA 0.200 4.705 4.527 -0.036 0.000 0.356 219 F C -1.423 174.386 175.800 0.015 0.000 1.110 219 F CA -2.123 55.923 58.000 0.078 0.000 1.161 219 F CB 0.969 40.014 39.000 0.075 0.000 1.115 219 F HN 0.425 nan 8.300 nan 0.000 0.507 220 P HA -0.194 nan 4.420 nan 0.000 0.218 220 P C 1.592 178.939 177.300 0.079 0.000 1.149 220 P CA 1.062 64.177 63.100 0.025 0.000 0.817 220 P CB 0.159 31.801 31.700 -0.097 0.000 0.785 221 Q N -0.090 119.762 119.800 0.086 0.000 2.020 221 Q HA -0.118 4.200 4.340 -0.037 0.000 0.202 221 Q C -0.690 175.362 176.000 0.087 0.000 0.982 221 Q CA 2.405 58.236 55.803 0.048 0.000 0.838 221 Q CB -1.511 27.225 28.738 -0.003 0.000 0.899 221 Q HN 0.201 nan 8.270 nan 0.000 0.423 222 P HA -0.135 nan 4.420 nan 0.000 0.218 222 P C 0.939 178.289 177.300 0.082 0.000 1.149 222 P CA 1.119 64.263 63.100 0.073 0.000 0.817 222 P CB -0.086 31.651 31.700 0.063 0.000 0.785 223 L N -1.446 119.832 121.223 0.091 0.000 2.046 223 L HA -0.224 4.094 4.340 -0.037 0.000 0.208 223 L C 2.760 179.666 176.870 0.061 0.000 1.077 223 L CA 1.546 56.421 54.840 0.058 0.000 0.747 223 L CB -1.372 40.712 42.059 0.041 0.000 0.896 223 L HN 0.148 nan 8.230 nan 0.000 0.432 224 H N 0.654 119.724 119.070 -0.001 0.000 2.353 224 H HA -0.181 4.353 4.556 -0.037 0.000 0.300 224 H C 1.743 177.079 175.328 0.014 0.000 1.090 224 H CA 1.943 57.990 56.048 -0.002 0.000 1.327 224 H CB 0.136 29.887 29.762 -0.018 0.000 1.383 224 H HN 0.340 nan 8.280 nan 0.000 0.508 225 D N 0.339 120.849 120.400 0.184 0.000 2.117 225 D HA -0.108 4.510 4.640 -0.037 0.000 0.197 225 D C 2.259 178.603 176.300 0.073 0.000 0.987 225 D CA 1.273 55.345 54.000 0.121 0.000 0.829 225 D CB -0.460 40.391 40.800 0.084 0.000 0.961 225 D HN 0.452 nan 8.370 nan 0.000 0.460 226 A N 0.715 123.568 122.820 0.056 0.000 1.902 226 A HA -0.122 4.176 4.320 -0.037 0.000 0.217 226 A C 2.404 180.025 177.584 0.062 0.000 1.181 226 A CA 0.928 52.995 52.037 0.049 0.000 0.623 226 A CB -0.792 18.222 19.000 0.024 0.000 0.818 226 A HN 0.224 nan 8.150 nan 0.000 0.443 227 L N -0.567 120.659 121.223 0.006 0.000 2.191 227 L HA -0.169 4.149 4.340 -0.037 0.000 0.212 227 L C 1.919 178.824 176.870 0.058 0.000 1.103 227 L CA 1.111 55.965 54.840 0.023 0.000 0.769 227 L CB -0.599 41.402 42.059 -0.096 0.000 0.908 227 L HN 0.284 nan 8.230 nan 0.000 0.438 228 D N 0.288 120.692 120.400 0.008 0.000 2.117 228 D HA -0.183 4.435 4.640 -0.037 0.000 0.198 228 D C 2.158 178.495 176.300 0.060 0.000 0.982 228 D CA 1.155 55.173 54.000 0.030 0.000 0.828 228 D CB 0.089 40.923 40.800 0.056 0.000 0.967 228 D HN 0.186 nan 8.370 nan 0.000 0.464 229 K N -0.416 120.032 120.400 0.080 0.000 2.097 229 K HA -0.125 4.173 4.320 -0.037 0.000 0.205 229 K C 2.002 178.664 176.600 0.103 0.000 1.050 229 K CA 0.583 56.917 56.287 0.078 0.000 0.938 229 K CB -0.234 32.316 32.500 0.083 0.000 0.718 229 K HN -0.004 nan 8.250 nan 0.000 0.442 230 F N 1.798 121.743 119.950 -0.008 0.000 2.216 230 F HA -0.165 4.340 4.527 -0.037 0.000 0.300 230 F C 2.357 178.156 175.800 -0.001 0.000 1.085 230 F CA 1.795 59.792 58.000 -0.004 0.000 1.326 230 F CB -0.120 38.875 39.000 -0.009 0.000 1.027 230 F HN 0.175 nan 8.300 nan 0.000 0.497 231 Q N 0.025 119.818 119.800 -0.011 0.000 2.137 231 Q HA -0.043 4.275 4.340 -0.037 0.000 0.198 231 Q C 2.261 178.197 176.000 -0.106 0.000 0.960 231 Q CA 1.091 56.842 55.803 -0.088 0.000 0.847 231 Q CB -0.311 28.434 28.738 0.011 0.000 0.915 231 Q HN 0.369 nan 8.270 nan 0.000 0.448 232 A N 1.392 124.177 122.820 -0.058 0.000 1.892 232 A HA -0.240 4.058 4.320 -0.037 0.000 0.218 232 A C 1.637 179.170 177.584 -0.085 0.000 1.188 232 A CA 1.987 53.994 52.037 -0.050 0.000 0.631 232 A CB -0.664 18.325 19.000 -0.017 0.000 0.822 232 A HN 0.525 nan 8.150 nan 0.000 0.447 233 D N -1.485 118.839 120.400 -0.127 0.000 2.194 233 D HA -0.039 4.579 4.640 -0.037 0.000 0.204 233 D C 1.926 178.099 176.300 -0.212 0.000 0.964 233 D CA 1.925 55.838 54.000 -0.145 0.000 0.846 233 D CB -0.122 40.606 40.800 -0.119 0.000 0.962 233 D HN 0.655 nan 8.370 nan 0.000 0.490 234 T N -4.856 109.491 114.554 -0.346 0.000 2.975 234 T HA 0.378 4.706 4.350 -0.037 0.000 0.261 234 T C 1.629 176.197 174.700 -0.220 0.000 0.984 234 T CA 0.640 62.539 62.100 -0.334 0.000 0.911 234 T CB 1.045 69.558 68.868 -0.591 0.000 1.127 234 T HN 0.127 nan 8.240 nan 0.000 0.514 235 G N 1.821 110.509 108.800 -0.187 0.000 2.179 235 G HA2 -0.209 3.729 3.960 -0.037 0.000 0.260 235 G HA3 -0.209 3.729 3.960 -0.037 0.000 0.260 235 G C -0.007 174.851 174.900 -0.070 0.000 0.977 235 G CA 0.169 45.210 45.100 -0.098 0.000 0.641 235 G HN 0.679 nan 8.290 nan 0.000 0.533 236 I N 1.289 121.787 120.570 -0.120 0.000 2.352 236 I HA 0.300 4.448 4.170 -0.037 0.000 0.290 236 I C -0.322 175.864 176.117 0.116 0.000 1.036 236 I CA -0.397 60.919 61.300 0.027 0.000 1.336 236 I CB 1.241 39.306 38.000 0.110 0.000 1.407 236 I HN -0.035 nan 8.210 nan 0.000 0.497 237 D N 8.389 128.865 120.400 0.127 0.000 2.477 237 D HA 0.378 4.996 4.640 -0.037 0.000 0.239 237 D C -0.406 175.977 176.300 0.138 0.000 1.102 237 D CA -0.306 53.762 54.000 0.113 0.000 0.901 237 D CB 0.512 41.359 40.800 0.078 0.000 1.026 237 D HN 0.275 nan 8.370 nan 0.000 0.515 238 I N 2.561 123.214 120.570 0.138 0.000 2.342 238 I HA 0.179 4.327 4.170 -0.037 0.000 0.291 238 I C 0.607 176.753 176.117 0.049 0.000 1.010 238 I CA -0.730 60.632 61.300 0.103 0.000 1.308 238 I CB 1.188 39.230 38.000 0.070 0.000 1.400 238 I HN 0.101 nan 8.210 nan 0.000 0.488 239 D N 6.456 126.901 120.400 0.074 0.000 2.387 239 D HA 0.542 5.160 4.640 -0.037 0.000 0.251 239 D C -0.194 176.130 176.300 0.041 0.000 1.141 239 D CA -0.061 53.983 54.000 0.073 0.000 0.987 239 D CB 1.280 42.159 40.800 0.132 0.000 1.116 239 D HN 0.307 nan 8.370 nan 0.000 0.491 240 M N 0.024 119.652 119.600 0.047 0.000 2.644 240 M HA 0.345 4.803 4.480 -0.037 0.000 0.304 240 M C -0.867 175.467 176.300 0.056 0.000 1.215 240 M CA -0.790 54.519 55.300 0.016 0.000 0.871 240 M CB 2.567 35.157 32.600 -0.017 0.000 1.740 240 M HN 0.342 nan 8.290 nan 0.000 0.464 241 H N 1.466 120.486 119.070 -0.083 0.000 2.689 241 H HA 0.549 5.083 4.556 -0.037 0.000 0.346 241 H C -1.748 173.499 175.328 -0.135 0.000 1.037 241 H CA -0.643 55.354 56.048 -0.086 0.000 1.234 241 H CB 1.191 30.930 29.762 -0.037 0.000 1.572 241 H HN 0.546 nan 8.280 nan 0.000 0.524 242 I N 4.097 124.279 120.570 -0.647 0.000 2.315 242 I HA 0.108 4.256 4.170 -0.037 0.000 0.291 242 I C 0.085 175.968 176.117 -0.391 0.000 1.006 242 I CA -0.466 60.579 61.300 -0.426 0.000 1.265 242 I CB 1.136 38.891 38.000 -0.408 0.000 1.387 242 I HN 0.728 nan 8.210 nan 0.000 0.475 243 D N 6.677 127.049 120.400 -0.046 0.000 2.453 243 D HA 0.304 4.922 4.640 -0.037 0.000 0.223 243 D C 0.380 176.708 176.300 0.048 0.000 1.183 243 D CA -0.193 53.900 54.000 0.156 0.000 0.933 243 D CB 0.951 41.985 40.800 0.390 0.000 1.038 243 D HN 0.629 nan 8.370 nan 0.000 0.513 244 A N 3.404 126.193 122.820 -0.052 0.000 2.833 244 A HA 0.515 4.813 4.320 -0.037 0.000 0.293 244 A C 1.809 179.422 177.584 0.049 0.000 1.338 244 A CA 0.305 52.305 52.037 -0.062 0.000 0.959 244 A CB -0.147 18.674 19.000 -0.300 0.000 1.094 244 A HN 0.563 nan 8.150 nan 0.000 0.569 245 A N 0.854 123.740 122.820 0.109 0.000 1.906 245 A HA -0.302 3.996 4.320 -0.037 0.000 0.222 245 A C 2.494 180.228 177.584 0.249 0.000 1.282 245 A CA 3.014 55.145 52.037 0.156 0.000 0.675 245 A CB -0.866 18.180 19.000 0.076 0.000 0.838 245 A HN 1.218 nan 8.150 nan 0.000 0.469 246 S N -2.033 113.808 115.700 0.234 0.000 2.460 246 S HA 0.259 4.707 4.470 -0.037 0.000 0.226 246 S C 2.070 176.822 174.600 0.254 0.000 1.057 246 S CA 0.929 59.367 58.200 0.397 0.000 0.948 246 S CB -0.932 62.577 63.200 0.515 0.000 0.822 246 S HN 0.836 nan 8.310 nan 0.000 0.512 247 G N 1.525 110.339 108.800 0.023 0.000 2.443 247 G HA2 0.123 4.061 3.960 -0.037 0.000 0.219 247 G HA3 0.123 4.061 3.960 -0.037 0.000 0.219 247 G C 1.382 176.166 174.900 -0.192 0.000 1.131 247 G CA 0.563 45.535 45.100 -0.214 0.000 0.775 247 G HN 0.640 nan 8.290 nan 0.000 0.547 248 G N 0.145 108.881 108.800 -0.107 0.000 2.479 248 G HA2 -0.122 3.816 3.960 -0.037 0.000 0.220 248 G HA3 -0.122 3.816 3.960 -0.037 0.000 0.220 248 G C 1.089 176.004 174.900 0.026 0.000 1.115 248 G CA 0.445 45.473 45.100 -0.120 0.000 0.757 248 G HN 0.407 nan 8.290 nan 0.000 0.560 249 F N -0.598 119.609 119.950 0.429 0.000 2.654 249 F HA 0.463 4.970 4.527 -0.034 0.000 0.303 249 F C 1.734 177.878 175.800 0.574 0.000 1.099 249 F CA -0.340 57.979 58.000 0.532 0.000 1.270 249 F CB 0.445 39.812 39.000 0.611 0.000 1.024 249 F HN -0.004 nan 8.300 nan 0.000 0.548 250 L N -0.866 120.612 121.223 0.425 0.000 2.416 250 L HA 0.227 4.545 4.340 -0.037 0.000 0.188 250 L C 2.586 179.624 176.870 0.281 0.000 1.145 250 L CA 0.914 55.967 54.840 0.354 0.000 0.826 250 L CB -0.962 41.174 42.059 0.128 0.000 1.064 250 L HN 0.023 nan 8.230 nan 0.000 0.490 251 A N 0.702 123.574 122.820 0.087 0.000 1.940 251 A HA -0.106 4.192 4.320 -0.037 0.000 0.219 251 A C -0.350 177.316 177.584 0.137 0.000 1.176 251 A CA 1.745 53.825 52.037 0.071 0.000 0.631 251 A CB -1.863 17.066 19.000 -0.118 0.000 0.814 251 A HN 0.266 nan 8.150 nan 0.000 0.446 252 P HA -0.102 nan 4.420 nan 0.000 0.223 252 P C 0.582 177.726 177.300 -0.260 0.000 1.144 252 P CA 1.016 64.034 63.100 -0.136 0.000 0.783 252 P CB -0.082 31.320 31.700 -0.497 0.000 0.771 253 F N -1.710 118.347 119.950 0.179 0.000 2.419 253 F HA 0.040 4.546 4.527 -0.035 0.000 0.283 253 F C 2.018 177.891 175.800 0.121 0.000 1.044 253 F CA 0.553 58.643 58.000 0.151 0.000 1.376 253 F CB -1.093 38.028 39.000 0.200 0.000 1.131 253 F HN -0.281 nan 8.300 nan 0.000 0.585 254 V N -2.971 117.108 119.914 0.274 0.000 3.643 254 V HA 0.650 4.748 4.120 -0.037 0.000 0.280 254 V C 0.617 176.738 176.094 0.044 0.000 1.351 254 V CA 0.464 62.839 62.300 0.126 0.000 1.073 254 V CB -0.239 31.611 31.823 0.046 0.000 0.863 254 V HN 0.155 nan 8.190 nan 0.000 0.436 255 A N 1.137 124.009 122.820 0.087 0.000 3.415 255 A HA 0.602 4.900 4.320 -0.037 0.000 0.244 255 A C -1.245 176.419 177.584 0.134 0.000 0.988 255 A CA -0.383 51.706 52.037 0.086 0.000 0.991 255 A CB 0.206 19.259 19.000 0.088 0.000 1.240 255 A HN 0.290 nan 8.150 nan 0.000 0.541 256 P HA -0.172 nan 4.420 nan 0.000 0.219 256 P C 0.327 177.697 177.300 0.117 0.000 1.146 256 P CA 1.215 64.393 63.100 0.131 0.000 0.808 256 P CB 0.274 32.034 31.700 0.101 0.000 0.779 257 D N -0.083 120.370 120.400 0.088 0.000 2.347 257 D HA 0.050 4.668 4.640 -0.037 0.000 0.215 257 D C 1.018 177.365 176.300 0.077 0.000 0.976 257 D CA 0.252 54.286 54.000 0.057 0.000 0.884 257 D CB -0.150 40.670 40.800 0.034 0.000 0.915 257 D HN 0.304 nan 8.370 nan 0.000 0.526 258 I N 1.986 122.648 120.570 0.153 0.000 2.578 258 I HA -0.054 4.094 4.170 -0.037 0.000 0.286 258 I C 0.190 176.442 176.117 0.224 0.000 1.126 258 I CA -0.167 61.265 61.300 0.220 0.000 1.380 258 I CB 0.677 38.877 38.000 0.334 0.000 1.408 258 I HN -0.354 nan 8.210 nan 0.000 0.532 259 V N 8.250 128.212 119.914 0.080 0.000 2.370 259 V HA 0.046 4.144 4.120 -0.037 0.000 0.257 259 V C 0.588 176.627 176.094 -0.091 0.000 1.064 259 V CA 0.026 62.284 62.300 -0.071 0.000 0.975 259 V CB -0.205 31.547 31.823 -0.118 0.000 1.067 259 V HN 0.963 nan 8.190 nan 0.000 0.485 260 W N 3.782 124.868 121.300 -0.357 0.000 2.121 260 W HA 0.277 4.915 4.660 -0.037 0.000 0.275 260 W C -0.181 175.961 176.519 -0.629 0.000 0.903 260 W CA 0.114 57.103 57.345 -0.594 0.000 1.253 260 W CB -0.070 28.699 29.460 -1.152 0.000 1.016 260 W HN 0.633 nan 8.180 nan 0.000 0.537 261 D N 0.548 120.176 120.400 -1.287 0.000 2.535 261 D HA 0.248 4.866 4.640 -0.037 0.000 0.240 261 D C 0.654 176.477 176.300 -0.795 0.000 1.200 261 D CA -0.635 52.466 54.000 -1.498 0.000 1.088 261 D CB -0.443 39.224 40.800 -1.887 0.000 1.197 261 D HN -0.251 nan 8.370 nan 0.000 0.620 262 F N -0.349 119.339 119.950 -0.438 0.000 2.722 262 F HA 0.190 4.694 4.527 -0.037 0.000 0.298 262 F C 2.269 177.947 175.800 -0.204 0.000 1.175 262 F CA 0.220 58.082 58.000 -0.230 0.000 1.462 262 F CB -0.476 38.459 39.000 -0.110 0.000 1.111 262 F HN 0.046 nan 8.300 nan 0.000 0.592 263 R N -0.051 120.358 120.500 -0.152 0.000 2.159 263 R HA -0.058 4.260 4.340 -0.037 0.000 0.237 263 R C 0.388 176.576 176.300 -0.187 0.000 1.131 263 R CA 0.592 56.575 56.100 -0.195 0.000 0.982 263 R CB -0.245 29.865 30.300 -0.316 0.000 0.868 263 R HN 0.223 nan 8.270 nan 0.000 0.453 264 L N 2.255 123.341 121.223 -0.228 0.000 2.281 264 L HA 0.170 4.488 4.340 -0.037 0.000 0.285 264 L C -1.355 175.485 176.870 -0.049 0.000 1.074 264 L CA -1.855 52.811 54.840 -0.289 0.000 0.817 264 L CB 1.279 43.087 42.059 -0.417 0.000 1.168 264 L HN -0.076 nan 8.230 nan 0.000 0.434 265 P HA -0.167 nan 4.420 nan 0.000 0.218 265 P C 1.156 178.590 177.300 0.223 0.000 1.148 265 P CA 1.331 64.519 63.100 0.148 0.000 0.822 265 P CB 0.184 31.971 31.700 0.145 0.000 0.784 266 R N -0.555 120.186 120.500 0.402 0.000 2.236 266 R HA 0.083 4.401 4.340 -0.037 0.000 0.208 266 R C 0.468 176.859 176.300 0.152 0.000 1.036 266 R CA 0.142 56.356 56.100 0.191 0.000 1.001 266 R CB -0.211 30.054 30.300 -0.059 0.000 0.896 266 R HN 0.061 nan 8.270 nan 0.000 0.464 267 V N 2.207 122.212 119.914 0.150 0.000 2.397 267 V HA 0.008 4.106 4.120 -0.037 0.000 0.262 267 V C 0.664 176.883 176.094 0.209 0.000 1.047 267 V CA 0.516 62.855 62.300 0.064 0.000 1.003 267 V CB 1.186 32.938 31.823 -0.119 0.000 1.037 267 V HN 0.044 nan 8.190 nan 0.000 0.480 268 K N 2.615 123.148 120.400 0.222 0.000 2.352 268 K HA 0.191 4.489 4.320 -0.037 0.000 0.194 268 K C 0.491 177.351 176.600 0.434 0.000 1.038 268 K CA 0.366 56.853 56.287 0.333 0.000 1.023 268 K CB 0.508 33.186 32.500 0.297 0.000 0.840 268 K HN 0.846 nan 8.250 nan 0.000 0.519 269 S N -1.121 114.735 115.700 0.261 0.000 2.565 269 S HA 0.612 5.060 4.470 -0.037 0.000 0.274 269 S C -0.979 173.394 174.600 -0.378 0.000 1.144 269 S CA -1.099 57.144 58.200 0.073 0.000 0.849 269 S CB 1.101 64.200 63.200 -0.169 0.000 1.103 269 S HN -0.043 nan 8.310 nan 0.000 0.455 270 I N 1.750 122.062 120.570 -0.429 0.000 2.769 270 I HA 0.664 4.812 4.170 -0.037 0.000 0.298 270 I C -0.527 175.395 176.117 -0.324 0.000 1.128 270 I CA -0.621 60.255 61.300 -0.707 0.000 1.031 270 I CB 2.714 40.101 38.000 -1.021 0.000 1.235 270 I HN 0.948 nan 8.210 nan 0.000 0.423 271 S N 3.326 118.861 115.700 -0.276 0.000 2.570 271 S HA 0.991 5.439 4.470 -0.037 0.000 0.286 271 S C -0.763 173.910 174.600 0.123 0.000 1.099 271 S CA -0.695 57.563 58.200 0.096 0.000 0.913 271 S CB 2.513 65.839 63.200 0.211 0.000 1.085 271 S HN 0.930 nan 8.310 nan 0.000 0.480 272 A N 1.072 124.128 122.820 0.394 0.000 2.602 272 A HA 0.853 5.151 4.320 -0.037 0.000 0.290 272 A C -0.817 177.027 177.584 0.434 0.000 1.114 272 A CA -0.931 51.360 52.037 0.424 0.000 0.683 272 A CB 1.169 20.508 19.000 0.565 0.000 1.281 272 A HN 0.917 nan 8.150 nan 0.000 0.416 273 S N 0.182 116.110 115.700 0.380 0.000 2.429 273 S HA 0.459 4.907 4.470 -0.037 0.000 0.302 273 S C 1.289 176.052 174.600 0.272 0.000 1.115 273 S CA 0.001 58.281 58.200 0.133 0.000 1.095 273 S CB 1.397 64.597 63.200 -0.000 0.000 0.987 273 S HN 1.297 nan 8.310 nan 0.000 0.474 274 G N 1.904 110.777 108.800 0.121 0.000 2.432 274 G HA2 -0.208 3.730 3.960 -0.037 0.000 0.219 274 G HA3 -0.208 3.730 3.960 -0.037 0.000 0.219 274 G C 1.039 175.957 174.900 0.029 0.000 1.135 274 G CA 0.529 45.686 45.100 0.094 0.000 0.767 274 G HN 0.949 nan 8.290 nan 0.000 0.550 275 H N -0.667 118.435 119.070 0.054 0.000 2.539 275 H HA 0.365 4.898 4.556 -0.037 0.000 0.267 275 H C 1.561 176.898 175.328 0.016 0.000 0.982 275 H CA 0.176 56.232 56.048 0.014 0.000 1.146 275 H CB 0.285 30.034 29.762 -0.021 0.000 1.382 275 H HN 0.255 nan 8.280 nan 0.000 0.577 276 K N 0.584 121.133 120.400 0.247 0.000 3.215 276 K HA 0.149 4.447 4.320 -0.037 0.000 0.171 276 K C 0.776 177.349 176.600 -0.044 0.000 1.127 276 K CA -0.116 56.233 56.287 0.103 0.000 1.421 276 K CB 0.075 32.717 32.500 0.236 0.000 1.962 276 K HN 0.014 nan 8.250 nan 0.000 0.478 277 F N 0.954 121.089 119.950 0.308 0.000 2.811 277 F HA 0.101 4.607 4.527 -0.035 0.000 0.301 277 F C 1.802 177.795 175.800 0.321 0.000 1.151 277 F CA 0.358 58.543 58.000 0.308 0.000 1.412 277 F CB -0.043 39.168 39.000 0.353 0.000 1.113 277 F HN 0.390 nan 8.300 nan 0.000 0.579 278 G N -0.520 108.416 108.800 0.226 0.000 2.920 278 G HA2 0.074 4.012 3.960 -0.037 0.000 0.208 278 G HA3 0.074 4.012 3.960 -0.037 0.000 0.208 278 G C 1.160 176.108 174.900 0.079 0.000 1.159 278 G CA 0.159 45.106 45.100 -0.256 0.000 0.784 278 G HN 0.440 nan 8.290 nan 0.000 0.535 279 L N -2.386 118.904 121.223 0.113 0.000 5.051 279 L HA -0.230 4.088 4.340 -0.037 0.000 0.432 279 L C 1.510 178.426 176.870 0.076 0.000 1.055 279 L CA 0.051 54.939 54.840 0.080 0.000 1.095 279 L CB -2.314 39.763 42.059 0.031 0.000 1.957 279 L HN 0.387 nan 8.230 nan 0.000 0.727 280 A N 0.706 123.562 122.820 0.060 0.000 2.386 280 A HA 0.595 4.893 4.320 -0.037 0.000 0.246 280 A C -1.603 176.024 177.584 0.071 0.000 1.089 280 A CA -0.500 51.570 52.037 0.054 0.000 0.790 280 A CB -0.063 18.953 19.000 0.027 0.000 1.042 280 A HN 0.144 nan 8.150 nan 0.000 0.497 281 P HA 0.208 nan 4.420 nan 0.000 0.276 281 P C -0.335 176.985 177.300 0.033 0.000 1.261 281 P CA -0.420 62.687 63.100 0.012 0.000 0.800 281 P CB 0.410 32.082 31.700 -0.047 0.000 1.066 282 L N 0.443 121.648 121.223 -0.031 0.000 2.578 282 L HA 0.124 4.442 4.340 -0.037 0.000 0.279 282 L C 1.434 178.304 176.870 0.000 0.000 1.227 282 L CA 1.508 56.293 54.840 -0.092 0.000 0.900 282 L CB -1.028 40.931 42.059 -0.166 0.000 1.144 282 L HN 0.903 nan 8.230 nan 0.000 0.496 283 G N 2.393 111.312 108.800 0.198 0.000 2.237 283 G HA2 -0.176 3.762 3.960 -0.037 0.000 0.153 283 G HA3 -0.176 3.762 3.960 -0.037 0.000 0.153 283 G C -0.538 174.348 174.900 -0.023 0.000 1.039 283 G CA -0.322 44.828 45.100 0.084 0.000 0.719 283 G HN 0.732 nan 8.290 nan 0.000 0.491 284 C N 0.657 119.949 119.300 -0.012 0.000 2.516 284 C HA 0.912 5.350 4.460 -0.037 0.000 0.338 284 C C 0.623 175.254 174.990 -0.598 0.000 1.132 284 C CA 0.657 59.456 59.018 -0.365 0.000 1.310 284 C CB 0.580 28.165 27.740 -0.258 0.000 1.898 284 C HN 1.471 nan 8.230 nan 0.000 0.452 285 G N 3.448 111.834 108.800 -0.691 0.000 2.680 285 G HA2 0.809 4.746 3.960 -0.037 0.000 0.290 285 G HA3 0.809 4.746 3.960 -0.037 0.000 0.290 285 G C -2.095 172.400 174.900 -0.675 0.000 1.355 285 G CA -0.555 44.228 45.100 -0.528 0.000 0.903 285 G HN 0.732 nan 8.290 nan 0.000 0.474 286 W N -0.635 120.742 121.300 0.129 0.000 3.022 286 W HA 0.599 5.236 4.660 -0.038 0.000 0.335 286 W C -0.850 175.789 176.519 0.199 0.000 1.133 286 W CA -0.946 56.510 57.345 0.185 0.000 1.219 286 W CB 2.613 32.241 29.460 0.279 0.000 1.409 286 W HN 0.415 nan 8.180 nan 0.000 0.507 287 V N 5.480 125.643 119.914 0.414 0.000 2.686 287 V HA 0.633 4.731 4.120 -0.037 0.000 0.306 287 V C -1.322 174.875 176.094 0.172 0.000 1.065 287 V CA -0.860 61.550 62.300 0.183 0.000 0.894 287 V CB 1.297 33.054 31.823 -0.109 0.000 1.004 287 V HN 0.400 nan 8.190 nan 0.000 0.424 288 I N 5.963 126.647 120.570 0.191 0.000 2.509 288 I HA 0.493 4.641 4.170 -0.037 0.000 0.293 288 I C -0.399 175.817 176.117 0.164 0.000 1.020 288 I CA -0.720 60.761 61.300 0.301 0.000 1.088 288 I CB 1.911 40.231 38.000 0.534 0.000 1.267 288 I HN 0.610 nan 8.210 nan 0.000 0.430 289 W N 4.566 126.050 121.300 0.308 0.000 2.496 289 W HA 0.362 5.000 4.660 -0.037 0.000 0.327 289 W C 1.497 177.944 176.519 -0.119 0.000 1.086 289 W CA -0.625 56.850 57.345 0.217 0.000 1.222 289 W CB 1.669 31.233 29.460 0.173 0.000 1.304 289 W HN 0.679 nan 8.180 nan 0.000 0.547 290 R N 0.919 121.361 120.500 -0.096 0.000 2.133 290 R HA -0.234 4.084 4.340 -0.037 0.000 0.247 290 R C -0.267 175.888 176.300 -0.242 0.000 1.151 290 R CA 2.425 58.188 56.100 -0.562 0.000 0.971 290 R CB -0.038 30.157 30.300 -0.175 0.000 0.866 290 R HN 0.673 nan 8.270 nan 0.000 0.447 291 D N -3.982 116.411 120.400 -0.012 0.000 2.808 291 D HA -0.011 4.607 4.640 -0.037 0.000 0.294 291 D C -0.101 176.222 176.300 0.038 0.000 1.278 291 D CA -0.650 53.349 54.000 -0.001 0.000 0.756 291 D CB 0.081 40.866 40.800 -0.025 0.000 1.271 291 D HN -0.136 nan 8.370 nan 0.000 0.425 292 E N 0.081 120.286 120.200 0.008 0.000 2.171 292 E HA -0.207 4.121 4.350 -0.037 0.000 0.197 292 E C 0.993 177.575 176.600 -0.031 0.000 0.997 292 E CA 1.428 57.818 56.400 -0.017 0.000 0.810 292 E CB 0.034 29.721 29.700 -0.021 0.000 0.738 292 E HN 0.601 nan 8.360 nan 0.000 0.467 293 E N 0.234 120.433 120.200 -0.002 0.000 2.358 293 E HA 0.011 4.339 4.350 -0.037 0.000 0.195 293 E C 1.842 178.460 176.600 0.031 0.000 1.010 293 E CA 0.455 56.858 56.400 0.005 0.000 0.856 293 E CB 0.085 29.798 29.700 0.020 0.000 0.795 293 E HN 0.175 nan 8.360 nan 0.000 0.504 294 A N 0.801 123.665 122.820 0.074 0.000 2.172 294 A HA -0.041 4.257 4.320 -0.037 0.000 0.216 294 A C 0.972 178.575 177.584 0.031 0.000 1.154 294 A CA 0.436 52.573 52.037 0.168 0.000 0.701 294 A CB 0.021 19.233 19.000 0.354 0.000 0.789 294 A HN 0.150 nan 8.150 nan 0.000 0.465 295 L N 0.938 122.045 121.223 -0.194 0.000 2.295 295 L HA 0.488 4.806 4.340 -0.037 0.000 0.281 295 L C -2.811 173.860 176.870 -0.333 0.000 1.018 295 L CA -2.567 51.979 54.840 -0.491 0.000 0.841 295 L CB 1.272 42.875 42.059 -0.760 0.000 1.218 295 L HN -0.149 nan 8.230 nan 0.000 0.424 296 P HA 0.075 nan 4.420 nan 0.000 0.263 296 P C 0.094 177.207 177.300 -0.311 0.000 1.195 296 P CA -0.100 62.886 63.100 -0.190 0.000 0.762 296 P CB 0.567 32.232 31.700 -0.059 0.000 0.799 297 Q N 2.389 122.057 119.800 -0.219 0.000 2.234 297 Q HA -0.199 4.119 4.340 -0.037 0.000 0.206 297 Q C 1.238 177.058 176.000 -0.299 0.000 0.980 297 Q CA 1.675 57.332 55.803 -0.243 0.000 0.869 297 Q CB -0.334 28.309 28.738 -0.158 0.000 0.912 297 Q HN 0.569 nan 8.270 nan 0.000 0.436 298 E N 0.240 120.289 120.200 -0.252 0.000 2.331 298 E HA -0.109 4.219 4.350 -0.037 0.000 0.199 298 E C 1.638 177.975 176.600 -0.438 0.000 1.008 298 E CA 0.592 56.841 56.400 -0.252 0.000 0.843 298 E CB -0.140 29.539 29.700 -0.035 0.000 0.761 298 E HN 0.328 nan 8.360 nan 0.000 0.507 299 L N -0.346 120.519 121.223 -0.598 0.000 2.529 299 L HA 0.123 4.441 4.340 -0.037 0.000 0.223 299 L C 0.233 176.793 176.870 -0.517 0.000 1.113 299 L CA -0.188 54.218 54.840 -0.723 0.000 0.861 299 L CB 0.439 41.720 42.059 -1.298 0.000 1.012 299 L HN -0.075 nan 8.230 nan 0.000 0.461 300 V N 0.571 120.205 119.914 -0.467 0.000 2.498 300 V HA 0.174 4.272 4.120 -0.037 0.000 0.279 300 V C -0.453 175.511 176.094 -0.218 0.000 1.048 300 V CA -0.135 62.036 62.300 -0.215 0.000 0.967 300 V CB 1.084 32.781 31.823 -0.211 0.000 0.988 300 V HN -0.062 nan 8.190 nan 0.000 0.473 301 F N 3.520 123.491 119.950 0.034 0.000 2.444 301 F HA 0.471 4.977 4.527 -0.037 0.000 0.342 301 F C 0.582 176.429 175.800 0.078 0.000 1.121 301 F CA -0.746 57.291 58.000 0.063 0.000 0.997 301 F CB 1.341 40.405 39.000 0.107 0.000 1.130 301 F HN 0.391 nan 8.300 nan 0.000 0.454 302 N N 3.174 121.983 118.700 0.182 0.000 2.414 302 N HA 0.323 5.041 4.740 -0.037 0.000 0.256 302 N C -0.866 174.754 175.510 0.183 0.000 1.029 302 N CA -0.195 52.940 53.050 0.142 0.000 0.948 302 N CB 1.860 40.385 38.487 0.063 0.000 1.102 302 N HN 0.386 nan 8.380 nan 0.000 0.496 303 V N -0.352 119.675 119.914 0.189 0.000 2.439 303 V HA 0.380 4.478 4.120 -0.037 0.000 0.282 303 V C 0.274 176.471 176.094 0.173 0.000 1.039 303 V CA -0.996 61.421 62.300 0.194 0.000 0.913 303 V CB 1.509 33.463 31.823 0.218 0.000 0.983 303 V HN 0.343 nan 8.190 nan 0.000 0.460 304 D N 3.817 124.300 120.400 0.138 0.000 2.417 304 D HA 0.352 4.970 4.640 -0.037 0.000 0.250 304 D C -0.367 176.035 176.300 0.170 0.000 1.166 304 D CA 0.717 54.775 54.000 0.098 0.000 0.881 304 D CB 0.869 41.707 40.800 0.063 0.000 1.164 304 D HN 0.853 nan 8.370 nan 0.000 0.467 305 Y N -0.513 119.791 120.300 0.006 0.000 2.805 305 Y HA 0.380 4.909 4.550 -0.035 0.000 0.323 305 Y C 0.620 176.514 175.900 -0.009 0.000 1.279 305 Y CA -1.018 57.078 58.100 -0.006 0.000 1.103 305 Y CB 0.279 38.726 38.460 -0.023 0.000 1.324 305 Y HN 0.142 nan 8.280 nan 0.000 0.498 306 L N 0.971 122.244 121.223 0.084 0.000 2.046 306 L HA -0.001 4.316 4.340 -0.037 0.000 0.208 306 L C 2.135 178.886 176.870 -0.200 0.000 1.077 306 L CA 1.906 56.729 54.840 -0.028 0.000 0.747 306 L CB -0.546 41.555 42.059 0.070 0.000 0.896 306 L HN 1.068 nan 8.230 nan 0.000 0.432 307 G N -1.475 107.104 108.800 -0.367 0.000 3.210 307 G HA2 0.403 4.341 3.960 -0.037 0.000 0.220 307 G HA3 0.403 4.341 3.960 -0.037 0.000 0.220 307 G C 0.683 175.250 174.900 -0.555 0.000 1.200 307 G CA 0.520 45.424 45.100 -0.328 0.000 0.834 307 G HN 0.589 nan 8.290 nan 0.000 0.524 308 G N -0.359 108.020 108.800 -0.701 0.000 2.541 308 G HA2 0.120 4.058 3.960 -0.037 0.000 0.208 308 G HA3 0.120 4.058 3.960 -0.037 0.000 0.208 308 G C -0.579 173.957 174.900 -0.606 0.000 1.191 308 G CA -0.020 44.775 45.100 -0.508 0.000 1.217 308 G HN 1.238 nan 8.290 nan 0.000 0.566 309 Q N -0.500 119.095 119.800 -0.342 0.000 2.352 309 Q HA 0.700 5.018 4.340 -0.037 0.000 0.270 309 Q C -1.548 174.518 176.000 0.109 0.000 1.006 309 Q CA -0.989 54.779 55.803 -0.057 0.000 0.880 309 Q CB 1.766 30.493 28.738 -0.020 0.000 1.392 309 Q HN 0.838 nan 8.270 nan 0.000 0.401 310 I N 1.264 121.980 120.570 0.243 0.000 2.603 310 I HA 0.644 4.792 4.170 -0.037 0.000 0.300 310 I C 0.253 176.436 176.117 0.110 0.000 1.017 310 I CA -1.253 60.143 61.300 0.160 0.000 1.098 310 I CB 2.245 40.334 38.000 0.147 0.000 1.279 310 I HN 0.831 nan 8.210 nan 0.000 0.437 311 G N 2.486 111.340 108.800 0.089 0.000 2.322 311 G HA2 0.550 4.488 3.960 -0.037 0.000 0.309 311 G HA3 0.550 4.488 3.960 -0.037 0.000 0.309 311 G C -0.278 174.703 174.900 0.135 0.000 1.121 311 G CA -0.263 44.897 45.100 0.100 0.000 0.886 311 G HN 0.620 nan 8.290 nan 0.000 0.447 312 T N -0.684 113.988 114.554 0.196 0.000 2.895 312 T HA 0.636 4.964 4.350 -0.037 0.000 0.283 312 T C -1.036 173.904 174.700 0.400 0.000 1.014 312 T CA -0.815 61.446 62.100 0.269 0.000 1.037 312 T CB 1.985 70.999 68.868 0.244 0.000 1.006 312 T HN 0.292 nan 8.240 nan 0.000 0.468 313 F N 2.187 122.264 119.950 0.211 0.000 2.532 313 F HA 0.722 5.227 4.527 -0.036 0.000 0.365 313 F C -0.741 175.203 175.800 0.241 0.000 1.112 313 F CA -1.726 56.385 58.000 0.185 0.000 1.082 313 F CB 0.344 39.371 39.000 0.046 0.000 1.319 313 F HN 1.097 nan 8.300 nan 0.000 0.457 314 A N 5.941 128.883 122.820 0.202 0.000 2.555 314 A HA 0.528 4.826 4.320 -0.037 0.000 0.297 314 A C -0.268 177.378 177.584 0.103 0.000 1.060 314 A CA -0.527 51.570 52.037 0.100 0.000 0.710 314 A CB 0.520 19.696 19.000 0.293 0.000 1.282 314 A HN 0.589 nan 8.150 nan 0.000 0.399 315 I N 1.014 121.604 120.570 0.034 0.000 2.333 315 I HA -0.074 4.074 4.170 -0.037 0.000 0.246 315 I C 0.998 177.172 176.117 0.095 0.000 1.106 315 I CA 0.629 61.973 61.300 0.073 0.000 1.411 315 I CB -0.012 38.032 38.000 0.072 0.000 1.082 315 I HN 0.601 nan 8.210 nan 0.000 0.420 316 N N -0.025 118.728 118.700 0.088 0.000 2.483 316 N HA 0.118 4.836 4.740 -0.037 0.000 0.269 316 N C 0.031 175.712 175.510 0.285 0.000 1.209 316 N CA -0.023 53.101 53.050 0.124 0.000 0.969 316 N CB 1.519 40.025 38.487 0.031 0.000 1.173 316 N HN -0.035 nan 8.380 nan 0.000 0.475 317 F N 0.458 120.468 119.950 0.099 0.000 2.229 317 F HA 0.279 4.784 4.527 -0.036 0.000 0.199 317 F C 0.775 176.692 175.800 0.195 0.000 1.184 317 F CA -0.254 57.834 58.000 0.146 0.000 1.216 317 F CB -0.524 38.519 39.000 0.071 0.000 1.633 317 F HN 0.233 nan 8.300 nan 0.000 0.431 318 S N 1.891 117.726 115.700 0.225 0.000 2.558 318 S HA 0.365 4.813 4.470 -0.037 0.000 0.291 318 S C -0.896 173.776 174.600 0.120 0.000 1.306 318 S CA 0.061 58.330 58.200 0.116 0.000 1.056 318 S CB -0.361 62.937 63.200 0.163 0.000 0.836 318 S HN 0.520 nan 8.310 nan 0.000 0.504 319 R N 0.473 121.023 120.500 0.083 0.000 3.466 319 R HA 0.249 4.567 4.340 -0.037 0.000 0.262 319 R C -3.669 172.639 176.300 0.013 0.000 0.997 319 R CA -1.552 54.566 56.100 0.030 0.000 0.978 319 R CB -0.099 30.193 30.300 -0.013 0.000 1.256 319 R HN 0.299 nan 8.270 nan 0.000 0.536 320 P HA 0.002 nan 4.420 nan 0.000 0.267 320 P C -0.043 177.225 177.300 -0.055 0.000 1.200 320 P CA 0.023 63.083 63.100 -0.066 0.000 0.772 320 P CB 1.107 32.761 31.700 -0.077 0.000 0.855 321 A N 2.773 125.562 122.820 -0.051 0.000 2.308 321 A HA 0.213 4.511 4.320 -0.037 0.000 0.217 321 A C 2.175 179.740 177.584 -0.031 0.000 1.216 321 A CA 0.909 52.946 52.037 -0.000 0.000 0.864 321 A CB -1.056 17.960 19.000 0.026 0.000 0.902 321 A HN 0.595 nan 8.150 nan 0.000 0.499 322 G N 0.207 108.971 108.800 -0.061 0.000 2.476 322 G HA2 -0.305 3.633 3.960 -0.037 0.000 0.218 322 G HA3 -0.305 3.633 3.960 -0.037 0.000 0.218 322 G C 1.454 176.329 174.900 -0.041 0.000 1.164 322 G CA 1.329 46.398 45.100 -0.052 0.000 0.768 322 G HN 0.533 nan 8.290 nan 0.000 0.560 323 Q N -0.185 119.575 119.800 -0.066 0.000 2.061 323 Q HA -0.054 4.264 4.340 -0.037 0.000 0.204 323 Q C 2.833 178.811 176.000 -0.036 0.000 0.984 323 Q CA 1.441 57.204 55.803 -0.066 0.000 0.846 323 Q CB -0.611 28.060 28.738 -0.111 0.000 0.902 323 Q HN 0.340 nan 8.270 nan 0.000 0.421 324 V N 0.344 120.234 119.914 -0.040 0.000 2.332 324 V HA -0.259 3.839 4.120 -0.037 0.000 0.248 324 V C 1.984 178.151 176.094 0.121 0.000 1.055 324 V CA 1.682 64.019 62.300 0.061 0.000 1.038 324 V CB -0.414 31.465 31.823 0.094 0.000 0.651 324 V HN 0.369 nan 8.190 nan 0.000 0.450 325 I N 0.069 120.693 120.570 0.089 0.000 2.315 325 I HA -0.181 3.967 4.170 -0.037 0.000 0.248 325 I C 2.561 178.774 176.117 0.160 0.000 1.117 325 I CA 1.354 62.731 61.300 0.128 0.000 1.404 325 I CB -0.485 37.558 38.000 0.073 0.000 1.071 325 I HN 0.273 nan 8.210 nan 0.000 0.419 326 A N 0.094 122.968 122.820 0.089 0.000 1.929 326 A HA -0.250 4.048 4.320 -0.037 0.000 0.216 326 A C 2.232 179.892 177.584 0.126 0.000 1.176 326 A CA 1.668 53.769 52.037 0.106 0.000 0.628 326 A CB -0.542 18.480 19.000 0.037 0.000 0.816 326 A HN 0.423 nan 8.150 nan 0.000 0.444 327 Q N -1.312 118.510 119.800 0.036 0.000 2.084 327 Q HA -0.227 4.091 4.340 -0.037 0.000 0.202 327 Q C 1.819 177.625 176.000 -0.323 0.000 0.978 327 Q CA 2.220 57.933 55.803 -0.150 0.000 0.844 327 Q CB -0.640 28.044 28.738 -0.089 0.000 0.898 327 Q HN 0.679 nan 8.270 nan 0.000 0.426 328 Y N -0.212 119.972 120.300 -0.193 0.000 2.207 328 Y HA -0.282 4.244 4.550 -0.039 0.000 0.287 328 Y C 1.978 177.915 175.900 0.061 0.000 1.156 328 Y CA 1.856 59.905 58.100 -0.085 0.000 1.182 328 Y CB -0.658 37.834 38.460 0.054 0.000 0.979 328 Y HN 0.395 nan 8.280 nan 0.000 0.521 329 Y N 1.145 121.413 120.300 -0.053 0.000 2.145 329 Y HA -0.216 4.319 4.550 -0.025 0.000 0.286 329 Y C 2.212 178.081 175.900 -0.053 0.000 1.145 329 Y CA 2.213 60.272 58.100 -0.069 0.000 1.148 329 Y CB -0.502 37.963 38.460 0.007 0.000 0.981 329 Y HN 0.114 nan 8.280 nan 0.000 0.507 330 E N 0.061 120.176 120.200 -0.141 0.000 2.058 330 E HA -0.201 4.127 4.350 -0.037 0.000 0.194 330 E C 2.139 178.798 176.600 0.098 0.000 0.997 330 E CA 1.428 57.743 56.400 -0.142 0.000 0.801 330 E CB -0.803 28.914 29.700 0.028 0.000 0.746 330 E HN 0.458 nan 8.360 nan 0.000 0.450 331 F N 0.976 120.934 119.950 0.013 0.000 2.095 331 F HA -0.134 4.373 4.527 -0.034 0.000 0.298 331 F C 2.527 178.268 175.800 -0.099 0.000 1.104 331 F CA 0.547 58.564 58.000 0.028 0.000 1.232 331 F CB -1.205 37.781 39.000 -0.023 0.000 0.987 331 F HN -0.003 nan 8.300 nan 0.000 0.475 332 L N 0.145 121.320 121.223 -0.080 0.000 2.027 332 L HA -0.202 4.116 4.340 -0.037 0.000 0.206 332 L C 2.769 179.563 176.870 -0.127 0.000 1.074 332 L CA 1.648 56.382 54.840 -0.176 0.000 0.745 332 L CB -0.426 41.427 42.059 -0.343 0.000 0.898 332 L HN 0.165 nan 8.230 nan 0.000 0.433 333 R N -0.137 120.233 120.500 -0.218 0.000 2.153 333 R HA -0.094 4.224 4.340 -0.037 0.000 0.218 333 R C 1.823 178.038 176.300 -0.141 0.000 1.072 333 R CA 1.047 57.012 56.100 -0.226 0.000 0.990 333 R CB -0.147 29.881 30.300 -0.453 0.000 0.889 333 R HN 0.338 nan 8.270 nan 0.000 0.452 334 L N 0.190 121.355 121.223 -0.096 0.000 2.349 334 L HA 0.292 4.610 4.340 -0.037 0.000 0.200 334 L C 1.348 178.240 176.870 0.037 0.000 1.064 334 L CA 0.518 55.318 54.840 -0.065 0.000 0.821 334 L CB -0.458 41.487 42.059 -0.190 0.000 1.027 334 L HN 0.517 nan 8.230 nan 0.000 0.476 335 G N 0.434 109.304 108.800 0.118 0.000 2.598 335 G HA2 -0.366 3.572 3.960 -0.037 0.000 0.269 335 G HA3 -0.366 3.572 3.960 -0.037 0.000 0.269 335 G C 0.559 175.542 174.900 0.138 0.000 1.289 335 G CA 0.569 45.730 45.100 0.102 0.000 0.926 335 G HN 0.225 nan 8.290 nan 0.000 0.567 336 R N 0.299 120.874 120.500 0.125 0.000 2.115 336 R HA 0.011 4.329 4.340 -0.037 0.000 0.226 336 R C 2.667 179.048 176.300 0.135 0.000 1.100 336 R CA 1.658 57.880 56.100 0.203 0.000 0.980 336 R CB -0.204 30.218 30.300 0.205 0.000 0.875 336 R HN 0.733 nan 8.270 nan 0.000 0.445 337 E N -0.249 119.999 120.200 0.081 0.000 2.076 337 E HA -0.101 4.227 4.350 -0.037 0.000 0.190 337 E C 1.860 178.470 176.600 0.016 0.000 0.979 337 E CA 1.231 57.663 56.400 0.054 0.000 0.807 337 E CB -0.122 29.602 29.700 0.039 0.000 0.761 337 E HN 0.327 nan 8.360 nan 0.000 0.454 338 G N 0.107 108.902 108.800 -0.007 0.000 2.433 338 G HA2 -0.275 3.663 3.960 -0.037 0.000 0.216 338 G HA3 -0.275 3.663 3.960 -0.037 0.000 0.216 338 G C 1.240 176.055 174.900 -0.142 0.000 1.186 338 G CA 0.942 45.998 45.100 -0.075 0.000 0.779 338 G HN 0.296 nan 8.290 nan 0.000 0.543 339 Y N 1.399 121.509 120.300 -0.316 0.000 2.224 339 Y HA -0.115 4.413 4.550 -0.036 0.000 0.289 339 Y C 3.388 179.054 175.900 -0.391 0.000 1.146 339 Y CA 1.774 59.541 58.100 -0.555 0.000 1.182 339 Y CB -0.490 37.109 38.460 -1.435 0.000 0.983 339 Y HN 0.151 nan 8.280 nan 0.000 0.524 340 T N -0.192 114.327 114.554 -0.058 0.000 2.665 340 T HA -0.245 4.083 4.350 -0.037 0.000 0.268 340 T C 1.833 176.570 174.700 0.062 0.000 1.035 340 T CA 1.894 64.057 62.100 0.106 0.000 1.151 340 T CB -0.237 68.723 68.868 0.154 0.000 0.862 340 T HN 0.222 nan 8.240 nan 0.000 0.438 341 K N 0.390 120.795 120.400 0.008 0.000 1.991 341 K HA -0.066 4.232 4.320 -0.037 0.000 0.212 341 K C 2.340 178.927 176.600 -0.023 0.000 1.049 341 K CA 1.070 57.352 56.287 -0.009 0.000 0.932 341 K CB -0.700 31.780 32.500 -0.033 0.000 0.717 341 K HN 0.074 nan 8.250 nan 0.000 0.441 342 V N 1.781 121.648 119.914 -0.079 0.000 2.250 342 V HA -0.326 3.772 4.120 -0.037 0.000 0.250 342 V C 2.383 178.478 176.094 0.002 0.000 1.060 342 V CA 1.837 64.079 62.300 -0.096 0.000 1.030 342 V CB -0.504 31.189 31.823 -0.217 0.000 0.643 342 V HN 0.405 nan 8.190 nan 0.000 0.445 343 Q N -0.527 119.320 119.800 0.079 0.000 2.119 343 Q HA -0.173 4.145 4.340 -0.037 0.000 0.201 343 Q C 2.039 178.187 176.000 0.247 0.000 0.972 343 Q CA 1.594 57.508 55.803 0.184 0.000 0.847 343 Q CB -0.798 28.127 28.738 0.310 0.000 0.903 343 Q HN 0.740 nan 8.270 nan 0.000 0.433 344 N N 0.800 119.622 118.700 0.202 0.000 2.104 344 N HA -0.159 4.559 4.740 -0.037 0.000 0.190 344 N C 1.729 177.325 175.510 0.143 0.000 1.024 344 N CA 1.520 54.683 53.050 0.189 0.000 0.853 344 N CB -0.070 38.477 38.487 0.100 0.000 1.008 344 N HN 0.306 nan 8.380 nan 0.000 0.424 345 A N -0.156 122.705 122.820 0.068 0.000 1.883 345 A HA -0.169 4.129 4.320 -0.037 0.000 0.217 345 A C 2.304 179.905 177.584 0.028 0.000 1.186 345 A CA 2.005 54.054 52.037 0.021 0.000 0.624 345 A CB -0.890 18.093 19.000 -0.028 0.000 0.822 345 A HN 0.316 nan 8.150 nan 0.000 0.444 346 S N -1.504 114.212 115.700 0.026 0.000 2.368 346 S HA -0.141 4.307 4.470 -0.037 0.000 0.225 346 S C 1.824 176.398 174.600 -0.044 0.000 1.030 346 S CA 1.484 59.679 58.200 -0.007 0.000 0.999 346 S CB -0.562 62.627 63.200 -0.018 0.000 0.844 346 S HN 0.629 nan 8.310 nan 0.000 0.459 347 Y N 2.244 122.553 120.300 0.016 0.000 2.224 347 Y HA -0.147 4.382 4.550 -0.036 0.000 0.289 347 Y C 2.635 178.539 175.900 0.008 0.000 1.146 347 Y CA 1.110 59.208 58.100 -0.003 0.000 1.182 347 Y CB -0.487 37.964 38.460 -0.015 0.000 0.983 347 Y HN 0.344 nan 8.280 nan 0.000 0.524 348 Q N -0.960 118.930 119.800 0.150 0.000 2.119 348 Q HA -0.140 4.178 4.340 -0.037 0.000 0.201 348 Q C 2.349 178.394 176.000 0.075 0.000 0.972 348 Q CA 1.675 57.529 55.803 0.085 0.000 0.847 348 Q CB -0.320 28.437 28.738 0.032 0.000 0.903 348 Q HN 0.318 nan 8.270 nan 0.000 0.433 349 V N 1.006 120.951 119.914 0.053 0.000 2.295 349 V HA -0.275 3.823 4.120 -0.037 0.000 0.246 349 V C 2.256 178.426 176.094 0.127 0.000 1.049 349 V CA 1.930 64.265 62.300 0.058 0.000 1.024 349 V CB -0.934 30.896 31.823 0.013 0.000 0.648 349 V HN 0.394 nan 8.190 nan 0.000 0.447 350 A N -0.208 122.673 122.820 0.101 0.000 1.930 350 A HA -0.005 4.293 4.320 -0.037 0.000 0.217 350 A C 2.373 179.998 177.584 0.069 0.000 1.175 350 A CA 1.840 53.930 52.037 0.088 0.000 0.627 350 A CB -0.649 18.374 19.000 0.038 0.000 0.815 350 A HN 0.553 nan 8.150 nan 0.000 0.443 351 A N -1.563 121.308 122.820 0.084 0.000 1.929 351 A HA -0.031 4.267 4.320 -0.037 0.000 0.216 351 A C 2.097 179.702 177.584 0.036 0.000 1.176 351 A CA 1.497 53.559 52.037 0.042 0.000 0.628 351 A CB -0.747 18.288 19.000 0.058 0.000 0.816 351 A HN 0.688 nan 8.150 nan 0.000 0.444 352 Y N 0.512 120.783 120.300 -0.047 0.000 2.145 352 Y HA -0.173 4.355 4.550 -0.037 0.000 0.286 352 Y C 1.966 177.815 175.900 -0.086 0.000 1.145 352 Y CA 1.794 59.855 58.100 -0.066 0.000 1.148 352 Y CB -0.335 38.089 38.460 -0.060 0.000 0.981 352 Y HN 0.208 nan 8.280 nan 0.000 0.507 353 L N -0.427 120.749 121.223 -0.079 0.000 2.012 353 L HA -0.259 4.059 4.340 -0.037 0.000 0.210 353 L C 2.759 179.484 176.870 -0.242 0.000 1.073 353 L CA 1.341 56.072 54.840 -0.182 0.000 0.748 353 L CB -1.015 41.040 42.059 -0.007 0.000 0.891 353 L HN 0.393 nan 8.230 nan 0.000 0.431 354 A N -0.276 122.436 122.820 -0.179 0.000 1.908 354 A HA -0.256 4.042 4.320 -0.037 0.000 0.218 354 A C 1.859 179.175 177.584 -0.446 0.000 1.181 354 A CA 2.172 54.037 52.037 -0.288 0.000 0.627 354 A CB -0.538 18.287 19.000 -0.291 0.000 0.818 354 A HN 0.368 nan 8.150 nan 0.000 0.445 355 D N -0.520 119.666 120.400 -0.357 0.000 2.117 355 D HA -0.083 4.535 4.640 -0.037 0.000 0.198 355 D C 2.055 178.166 176.300 -0.315 0.000 0.982 355 D CA 1.109 54.917 54.000 -0.320 0.000 0.828 355 D CB -0.176 40.484 40.800 -0.233 0.000 0.967 355 D HN 0.388 nan 8.370 nan 0.000 0.464 356 E N 0.310 120.254 120.200 -0.427 0.000 2.072 356 E HA -0.061 4.267 4.350 -0.037 0.000 0.191 356 E C 2.463 178.895 176.600 -0.280 0.000 0.985 356 E CA 0.294 56.451 56.400 -0.404 0.000 0.801 356 E CB -0.195 29.128 29.700 -0.628 0.000 0.750 356 E HN 0.379 nan 8.360 nan 0.000 0.452 357 I N 1.253 121.630 120.570 -0.322 0.000 2.286 357 I HA -0.251 3.897 4.170 -0.037 0.000 0.248 357 I C 2.378 178.486 176.117 -0.014 0.000 1.115 357 I CA 0.996 62.102 61.300 -0.323 0.000 1.392 357 I CB -0.340 37.331 38.000 -0.547 0.000 1.065 357 I HN -0.015 nan 8.210 nan 0.000 0.418 358 A N 0.609 123.462 122.820 0.055 0.000 2.076 358 A HA -0.196 4.102 4.320 -0.037 0.000 0.220 358 A C 2.097 179.765 177.584 0.141 0.000 1.160 358 A CA 1.435 53.625 52.037 0.255 0.000 0.653 358 A CB -0.408 18.609 19.000 0.029 0.000 0.801 358 A HN 0.393 nan 8.150 nan 0.000 0.455 359 K N -0.766 119.657 120.400 0.038 0.000 2.404 359 K HA 0.322 4.620 4.320 -0.037 0.000 0.194 359 K C 0.639 177.263 176.600 0.040 0.000 1.023 359 K CA 0.114 56.409 56.287 0.013 0.000 1.094 359 K CB 0.133 32.616 32.500 -0.028 0.000 0.841 359 K HN 0.433 nan 8.250 nan 0.000 0.523 360 L N -0.489 120.803 121.223 0.115 0.000 2.766 360 L HA 0.259 4.577 4.340 -0.037 0.000 0.242 360 L C 0.691 177.640 176.870 0.132 0.000 1.136 360 L CA -0.418 54.526 54.840 0.173 0.000 0.933 360 L CB 1.045 43.268 42.059 0.274 0.000 1.241 360 L HN 0.120 nan 8.230 nan 0.000 0.522 361 G N -0.136 108.564 108.800 -0.167 0.000 2.506 361 G HA2 0.308 4.246 3.960 -0.037 0.000 0.292 361 G HA3 0.308 4.246 3.960 -0.037 0.000 0.292 361 G C -2.959 171.431 174.900 -0.849 0.000 1.425 361 G CA -0.425 44.269 45.100 -0.677 0.000 0.788 361 G HN -0.313 nan 8.290 nan 0.000 0.490 362 P HA 0.295 nan 4.420 nan 0.000 0.231 362 P C -1.269 175.829 177.300 -0.336 0.000 1.811 362 P CA -0.115 62.748 63.100 -0.395 0.000 1.051 362 P CB -0.500 31.048 31.700 -0.253 0.000 1.951 363 Y N -0.257 120.018 120.300 -0.041 0.000 2.387 363 Y HA 0.472 5.000 4.550 -0.036 0.000 0.330 363 Y C 1.029 176.857 175.900 -0.120 0.000 1.133 363 Y CA -1.219 56.796 58.100 -0.141 0.000 1.152 363 Y CB 1.546 39.746 38.460 -0.435 0.000 1.215 363 Y HN 0.200 nan 8.280 nan 0.000 0.466 364 E N 2.351 122.565 120.200 0.022 0.000 2.176 364 E HA 0.389 4.717 4.350 -0.037 0.000 0.267 364 E C -1.876 174.719 176.600 -0.008 0.000 0.893 364 E CA -0.650 55.786 56.400 0.060 0.000 0.761 364 E CB 0.920 30.653 29.700 0.055 0.000 1.133 364 E HN 0.503 nan 8.360 nan 0.000 0.409 365 F N 4.569 124.591 119.950 0.119 0.000 2.404 365 F HA 0.322 4.826 4.527 -0.037 0.000 0.354 365 F C 1.187 177.053 175.800 0.110 0.000 1.122 365 F CA -0.415 57.663 58.000 0.130 0.000 1.080 365 F CB 0.957 40.005 39.000 0.081 0.000 1.131 365 F HN 0.534 nan 8.300 nan 0.000 0.471 366 I N 1.251 121.972 120.570 0.252 0.000 2.584 366 I HA -0.046 4.102 4.170 -0.037 0.000 0.255 366 I C 0.508 176.773 176.117 0.246 0.000 1.145 366 I CA 0.789 62.220 61.300 0.219 0.000 1.462 366 I CB 0.199 38.296 38.000 0.161 0.000 1.102 366 I HN 0.450 nan 8.210 nan 0.000 0.433 367 C N 0.658 120.118 119.300 0.267 0.000 2.752 367 C HA 0.396 4.834 4.460 -0.037 0.000 0.360 367 C C 0.944 176.052 174.990 0.197 0.000 1.081 367 C CA -0.286 58.841 59.018 0.182 0.000 1.272 367 C CB 0.905 28.717 27.740 0.121 0.000 1.754 367 C HN 0.477 nan 8.230 nan 0.000 0.483 368 T N 0.229 114.834 114.554 0.085 0.000 3.145 368 T HA 0.414 4.742 4.350 -0.037 0.000 0.281 368 T C 1.103 175.798 174.700 -0.009 0.000 1.003 368 T CA 0.791 62.883 62.100 -0.013 0.000 0.901 368 T CB 0.113 68.897 68.868 -0.141 0.000 1.112 368 T HN 2.315 nan 8.240 nan 0.000 0.535 369 G N 2.434 111.251 108.800 0.028 0.000 2.225 369 G HA2 -0.209 3.729 3.960 -0.037 0.000 0.264 369 G HA3 -0.209 3.729 3.960 -0.037 0.000 0.264 369 G C -0.172 174.813 174.900 0.143 0.000 1.060 369 G CA -0.617 44.522 45.100 0.064 0.000 0.833 369 G HN 0.579 nan 8.290 nan 0.000 0.498 370 R N -0.773 119.767 120.500 0.067 0.000 2.428 370 R HA 0.471 4.789 4.340 -0.037 0.000 0.294 370 R C -1.549 174.693 176.300 -0.097 0.000 1.000 370 R CA -2.626 53.478 56.100 0.007 0.000 0.960 370 R CB 0.866 31.153 30.300 -0.023 0.000 1.076 370 R HN 0.041 nan 8.270 nan 0.000 0.475 371 P HA -0.084 nan 4.420 nan 0.000 0.226 371 P C 0.291 177.470 177.300 -0.202 0.000 1.153 371 P CA 0.976 63.625 63.100 -0.752 0.000 0.777 371 P CB 0.273 31.428 31.700 -0.908 0.000 0.794 372 D N -1.046 119.318 120.400 -0.061 0.000 2.339 372 D HA -0.031 4.587 4.640 -0.037 0.000 0.217 372 D C 1.199 177.654 176.300 0.258 0.000 1.050 372 D CA 0.413 54.483 54.000 0.117 0.000 0.856 372 D CB -0.273 40.568 40.800 0.068 0.000 0.922 372 D HN 0.212 nan 8.370 nan 0.000 0.518 373 E N -0.234 120.021 120.200 0.092 0.000 2.434 373 E HA 0.369 4.697 4.350 -0.037 0.000 0.207 373 E C 0.926 177.308 176.600 -0.364 0.000 0.929 373 E CA 0.263 56.712 56.400 0.082 0.000 1.001 373 E CB 1.312 31.038 29.700 0.043 0.000 1.016 373 E HN 0.319 nan 8.360 nan 0.000 0.502 374 G N 1.229 109.544 108.800 -0.810 0.000 2.392 374 G HA2 0.207 4.145 3.960 -0.037 0.000 0.260 374 G HA3 0.207 4.145 3.960 -0.037 0.000 0.260 374 G C -1.236 173.098 174.900 -0.943 0.000 1.226 374 G CA -0.576 43.609 45.100 -1.525 0.000 0.913 374 G HN 0.102 nan 8.290 nan 0.000 0.483 375 I N -1.136 119.057 120.570 -0.628 0.000 3.078 375 I HA 0.686 4.834 4.170 -0.037 0.000 0.318 375 I C -2.403 173.483 176.117 -0.385 0.000 1.016 375 I CA -2.574 58.464 61.300 -0.437 0.000 1.130 375 I CB 1.894 39.691 38.000 -0.338 0.000 1.397 375 I HN 0.122 nan 8.210 nan 0.000 0.570 376 P HA 0.241 nan 4.420 nan 0.000 0.259 376 P C -1.091 176.107 177.300 -0.170 0.000 1.635 376 P CA 0.211 63.013 63.100 -0.496 0.000 1.199 376 P CB -0.085 31.249 31.700 -0.610 0.000 1.850 377 A N 2.451 125.210 122.820 -0.101 0.000 2.520 377 A HA 0.586 4.884 4.320 -0.037 0.000 0.298 377 A C -1.038 176.559 177.584 0.022 0.000 1.051 377 A CA -0.595 51.416 52.037 -0.043 0.000 0.690 377 A CB 1.498 20.465 19.000 -0.055 0.000 1.281 377 A HN 0.126 nan 8.150 nan 0.000 0.402 378 V N 0.788 120.743 119.914 0.067 0.000 2.398 378 V HA 0.553 4.651 4.120 -0.037 0.000 0.286 378 V C -0.324 175.882 176.094 0.187 0.000 1.026 378 V CA -0.451 61.954 62.300 0.175 0.000 0.868 378 V CB 1.107 33.061 31.823 0.217 0.000 0.982 378 V HN 1.065 nan 8.190 nan 0.000 0.443 379 C N 7.839 127.283 119.300 0.240 0.000 2.431 379 C HA 0.908 5.346 4.460 -0.037 0.000 0.321 379 C C -0.769 174.297 174.990 0.127 0.000 1.202 379 C CA -0.769 58.300 59.018 0.086 0.000 1.398 379 C CB -0.031 27.748 27.740 0.066 0.000 2.047 379 C HN 0.852 nan 8.230 nan 0.000 0.465 380 F N 4.124 123.935 119.950 -0.232 0.000 2.685 380 F HA 0.858 5.362 4.527 -0.037 0.000 0.315 380 F C -0.986 174.614 175.800 -0.333 0.000 1.126 380 F CA -0.917 56.830 58.000 -0.422 0.000 0.950 380 F CB 1.168 39.558 39.000 -1.017 0.000 1.360 380 F HN 0.654 nan 8.300 nan 0.000 0.469 381 K N 1.142 121.493 120.400 -0.082 0.000 2.466 381 K HA 0.669 4.967 4.320 -0.037 0.000 0.260 381 K C -1.686 174.977 176.600 0.105 0.000 1.011 381 K CA -1.016 55.224 56.287 -0.079 0.000 0.871 381 K CB 2.310 34.748 32.500 -0.104 0.000 1.404 381 K HN 0.840 nan 8.250 nan 0.000 0.450 382 L N 1.959 123.230 121.223 0.081 0.000 2.416 382 L HA 0.185 4.503 4.340 -0.037 0.000 0.272 382 L C 0.439 177.320 176.870 0.017 0.000 1.161 382 L CA -0.341 54.549 54.840 0.084 0.000 0.845 382 L CB 0.444 42.506 42.059 0.005 0.000 1.119 382 L HN 0.607 nan 8.230 nan 0.000 0.464 383 K N 2.057 122.458 120.400 0.001 0.000 2.489 383 K HA -0.020 4.278 4.320 -0.037 0.000 0.278 383 K C -0.455 176.129 176.600 -0.027 0.000 1.000 383 K CA -0.448 55.831 56.287 -0.013 0.000 1.012 383 K CB 0.303 32.788 32.500 -0.026 0.000 0.903 383 K HN 0.419 nan 8.250 nan 0.000 0.485 384 D N 1.617 122.005 120.400 -0.020 0.000 2.533 384 D HA -0.017 4.601 4.640 -0.037 0.000 0.236 384 D C 1.088 177.370 176.300 -0.029 0.000 1.137 384 D CA 1.307 55.292 54.000 -0.024 0.000 0.867 384 D CB 0.491 41.281 40.800 -0.017 0.000 1.170 384 D HN 0.769 nan 8.370 nan 0.000 0.474 385 G N 1.905 110.686 108.800 -0.031 0.000 2.233 385 G HA2 -0.332 3.606 3.960 -0.037 0.000 0.270 385 G HA3 -0.332 3.606 3.960 -0.037 0.000 0.270 385 G C 0.302 175.176 174.900 -0.045 0.000 1.011 385 G CA 0.758 45.838 45.100 -0.034 0.000 0.762 385 G HN 0.536 nan 8.290 nan 0.000 0.511 386 E N -0.081 120.084 120.200 -0.059 0.000 2.195 386 E HA 0.578 4.906 4.350 -0.037 0.000 0.271 386 E C -1.040 175.496 176.600 -0.108 0.000 0.923 386 E CA -0.866 55.485 56.400 -0.081 0.000 0.790 386 E CB 1.299 30.945 29.700 -0.091 0.000 1.155 386 E HN 0.116 nan 8.360 nan 0.000 0.402 387 D N 4.504 124.832 120.400 -0.120 0.000 2.386 387 D HA 0.250 4.868 4.640 -0.037 0.000 0.247 387 D C -2.098 174.096 176.300 -0.176 0.000 1.336 387 D CA -1.594 52.317 54.000 -0.148 0.000 0.976 387 D CB 1.391 42.135 40.800 -0.095 0.000 1.257 387 D HN 0.292 nan 8.370 nan 0.000 0.570 388 P HA 0.296 nan 4.420 nan 0.000 0.257 388 P C 0.806 177.985 177.300 -0.203 0.000 1.281 388 P CA 0.334 63.261 63.100 -0.289 0.000 0.826 388 P CB 0.511 31.917 31.700 -0.490 0.000 1.237 389 G N -0.138 108.558 108.800 -0.175 0.000 2.144 389 G HA2 -0.192 3.746 3.960 -0.037 0.000 0.218 389 G HA3 -0.192 3.746 3.960 -0.037 0.000 0.218 389 G C -0.227 174.742 174.900 0.115 0.000 0.988 389 G CA 0.052 45.151 45.100 -0.000 0.000 0.659 389 G HN 0.569 nan 8.290 nan 0.000 0.522 390 Y N -1.668 118.654 120.300 0.038 0.000 2.656 390 Y HA 0.780 5.308 4.550 -0.036 0.000 0.334 390 Y C -0.094 175.839 175.900 0.055 0.000 1.179 390 Y CA -0.788 57.343 58.100 0.052 0.000 1.050 390 Y CB 0.494 38.988 38.460 0.055 0.000 1.308 390 Y HN 0.726 nan 8.280 nan 0.000 0.456 391 T N -1.049 113.674 114.554 0.282 0.000 2.948 391 T HA 0.457 4.785 4.350 -0.037 0.000 0.285 391 T C 0.516 175.374 174.700 0.263 0.000 1.019 391 T CA -0.935 61.284 62.100 0.198 0.000 1.013 391 T CB 1.200 70.184 68.868 0.193 0.000 1.117 391 T HN 0.852 nan 8.240 nan 0.000 0.533 392 L N -0.146 121.108 121.223 0.051 0.000 2.201 392 L HA 0.006 4.324 4.340 -0.037 0.000 0.212 392 L C 2.220 179.033 176.870 -0.094 0.000 1.105 392 L CA 1.047 55.857 54.840 -0.050 0.000 0.775 392 L CB -0.608 41.298 42.059 -0.255 0.000 0.913 392 L HN 0.708 nan 8.230 nan 0.000 0.440 393 Y N 0.134 120.452 120.300 0.031 0.000 2.200 393 Y HA -0.239 4.288 4.550 -0.037 0.000 0.290 393 Y C 2.489 178.409 175.900 0.033 0.000 1.137 393 Y CA 1.012 59.127 58.100 0.025 0.000 1.163 393 Y CB -0.561 37.918 38.460 0.031 0.000 0.988 393 Y HN 0.202 nan 8.280 nan 0.000 0.518 394 D N -0.041 120.498 120.400 0.230 0.000 2.104 394 D HA -0.176 4.442 4.640 -0.037 0.000 0.194 394 D C 2.220 178.550 176.300 0.050 0.000 0.994 394 D CA 1.306 55.395 54.000 0.148 0.000 0.830 394 D CB -0.547 40.365 40.800 0.188 0.000 0.959 394 D HN 0.247 nan 8.370 nan 0.000 0.452 395 L N 0.732 121.951 121.223 -0.006 0.000 2.056 395 L HA -0.105 4.213 4.340 -0.037 0.000 0.207 395 L C 2.321 179.133 176.870 -0.097 0.000 1.078 395 L CA 1.540 56.282 54.840 -0.163 0.000 0.749 395 L CB -0.859 41.041 42.059 -0.266 0.000 0.901 395 L HN -0.119 nan 8.230 nan 0.000 0.433 396 S N -0.845 114.839 115.700 -0.027 0.000 2.370 396 S HA -0.288 4.160 4.470 -0.037 0.000 0.226 396 S C 2.085 176.707 174.600 0.037 0.000 1.033 396 S CA 1.751 59.959 58.200 0.013 0.000 1.011 396 S CB -0.399 62.827 63.200 0.043 0.000 0.852 396 S HN 0.669 nan 8.310 nan 0.000 0.457 397 E N -0.163 120.063 120.200 0.043 0.000 2.106 397 E HA -0.121 4.206 4.350 -0.037 0.000 0.192 397 E C 2.304 178.901 176.600 -0.004 0.000 0.984 397 E CA 0.554 56.973 56.400 0.033 0.000 0.806 397 E CB -0.011 29.712 29.700 0.039 0.000 0.750 397 E HN 0.263 nan 8.360 nan 0.000 0.458 398 R N 0.426 120.906 120.500 -0.033 0.000 2.081 398 R HA -0.111 4.207 4.340 -0.037 0.000 0.235 398 R C 2.504 178.784 176.300 -0.032 0.000 1.131 398 R CA 0.808 56.861 56.100 -0.078 0.000 0.960 398 R CB -0.886 29.348 30.300 -0.110 0.000 0.856 398 R HN 0.317 nan 8.270 nan 0.000 0.436 399 L N 0.045 121.272 121.223 0.006 0.000 2.046 399 L HA -0.122 4.196 4.340 -0.037 0.000 0.208 399 L C 2.708 179.679 176.870 0.169 0.000 1.077 399 L CA 1.239 56.148 54.840 0.116 0.000 0.747 399 L CB -0.396 41.730 42.059 0.112 0.000 0.896 399 L HN 0.126 nan 8.230 nan 0.000 0.432 400 R N 0.043 120.605 120.500 0.102 0.000 2.139 400 R HA -0.171 4.147 4.340 -0.037 0.000 0.243 400 R C 2.176 178.497 176.300 0.035 0.000 1.145 400 R CA 1.247 57.394 56.100 0.077 0.000 0.976 400 R CB -0.302 30.027 30.300 0.049 0.000 0.866 400 R HN 0.367 nan 8.270 nan 0.000 0.449 401 L N -0.186 121.043 121.223 0.010 0.000 2.465 401 L HA -0.072 4.246 4.340 -0.037 0.000 0.224 401 L C 1.325 178.184 176.870 -0.020 0.000 1.145 401 L CA 0.906 55.728 54.840 -0.029 0.000 0.834 401 L CB 0.022 42.032 42.059 -0.081 0.000 0.944 401 L HN 0.072 nan 8.230 nan 0.000 0.451 402 R N -0.510 120.010 120.500 0.034 0.000 2.609 402 R HA 0.247 4.565 4.340 -0.037 0.000 0.326 402 R C 1.109 177.362 176.300 -0.079 0.000 1.090 402 R CA 0.511 56.635 56.100 0.040 0.000 1.072 402 R CB 0.637 31.037 30.300 0.167 0.000 1.330 402 R HN 0.285 nan 8.270 nan 0.000 0.572 403 G N 0.432 109.171 108.800 -0.102 0.000 2.225 403 G HA2 -0.265 3.673 3.960 -0.037 0.000 0.254 403 G HA3 -0.265 3.673 3.960 -0.037 0.000 0.254 403 G C -0.231 174.520 174.900 -0.247 0.000 0.988 403 G CA -0.155 44.808 45.100 -0.230 0.000 0.625 403 G HN 0.320 nan 8.290 nan 0.000 0.527 404 W N 0.434 121.751 121.300 0.029 0.000 2.375 404 W HA 0.682 5.321 4.660 -0.036 0.000 0.336 404 W C 0.519 177.044 176.519 0.010 0.000 1.160 404 W CA -0.644 56.716 57.345 0.025 0.000 1.266 404 W CB 0.943 30.431 29.460 0.047 0.000 1.195 404 W HN 0.149 nan 8.180 nan 0.000 0.599 405 Q N 2.064 122.024 119.800 0.266 0.000 2.425 405 Q HA 0.472 4.790 4.340 -0.037 0.000 0.254 405 Q C -1.696 174.384 176.000 0.132 0.000 1.032 405 Q CA -0.333 55.566 55.803 0.160 0.000 0.798 405 Q CB 0.963 29.765 28.738 0.105 0.000 1.210 405 Q HN 0.361 nan 8.270 nan 0.000 0.491 406 V N 7.423 127.404 119.914 0.112 0.000 2.325 406 V HA 0.493 4.591 4.120 -0.037 0.000 0.280 406 V C -2.199 173.917 176.094 0.037 0.000 1.016 406 V CA -1.681 60.649 62.300 0.050 0.000 0.818 406 V CB 1.217 33.061 31.823 0.036 0.000 1.019 406 V HN 0.759 nan 8.190 nan 0.000 0.434 407 P HA 0.449 nan 4.420 nan 0.000 0.275 407 P C -0.677 176.626 177.300 0.004 0.000 1.227 407 P CA -0.062 63.113 63.100 0.125 0.000 0.781 407 P CB 1.558 33.406 31.700 0.248 0.000 0.906 408 A N 3.387 126.215 122.820 0.014 0.000 2.343 408 A HA 0.861 5.159 4.320 -0.037 0.000 0.316 408 A C -0.801 176.753 177.584 -0.051 0.000 1.104 408 A CA -0.483 51.392 52.037 -0.271 0.000 0.768 408 A CB 0.571 19.351 19.000 -0.367 0.000 1.213 408 A HN 0.549 nan 8.150 nan 0.000 0.456 409 F N -0.709 119.160 119.950 -0.135 0.000 2.831 409 F HA 0.818 5.323 4.527 -0.037 0.000 0.318 409 F C -0.140 175.644 175.800 -0.027 0.000 1.174 409 F CA -0.596 57.412 58.000 0.013 0.000 0.918 409 F CB 1.033 40.050 39.000 0.029 0.000 1.364 409 F HN 0.517 nan 8.300 nan 0.000 0.475 410 T N 0.099 114.863 114.554 0.350 0.000 2.888 410 T HA 0.736 5.064 4.350 -0.037 0.000 0.284 410 T C -0.474 174.382 174.700 0.260 0.000 1.017 410 T CA -0.815 61.395 62.100 0.182 0.000 1.022 410 T CB 1.603 70.570 68.868 0.165 0.000 1.013 410 T HN 0.757 nan 8.240 nan 0.000 0.465 411 L N 1.556 122.844 121.223 0.108 0.000 2.453 411 L HA 0.565 4.883 4.340 -0.037 0.000 0.261 411 L C 1.502 178.340 176.870 -0.054 0.000 1.179 411 L CA -0.764 54.090 54.840 0.024 0.000 0.813 411 L CB 0.255 42.271 42.059 -0.073 0.000 1.110 411 L HN 0.986 nan 8.230 nan 0.000 0.466 412 G N -0.395 108.274 108.800 -0.219 0.000 2.516 412 G HA2 0.452 4.390 3.960 -0.037 0.000 0.276 412 G HA3 0.452 4.390 3.960 -0.037 0.000 0.276 412 G C 0.546 175.381 174.900 -0.108 0.000 1.390 412 G CA 0.087 45.101 45.100 -0.143 0.000 1.050 412 G HN 0.994 nan 8.290 nan 0.000 0.519 413 G N -0.418 108.348 108.800 -0.055 0.000 2.672 413 G HA2 -0.347 3.591 3.960 -0.037 0.000 0.324 413 G HA3 -0.347 3.591 3.960 -0.037 0.000 0.324 413 G C 1.055 175.935 174.900 -0.034 0.000 1.286 413 G CA 1.010 46.087 45.100 -0.038 0.000 1.004 413 G HN 0.690 nan 8.290 nan 0.000 0.548 414 E N 0.809 120.982 120.200 -0.044 0.000 2.299 414 E HA 0.307 4.634 4.350 -0.037 0.000 0.193 414 E C 2.477 179.051 176.600 -0.044 0.000 0.998 414 E CA 0.592 56.970 56.400 -0.036 0.000 0.851 414 E CB -0.051 29.628 29.700 -0.035 0.000 0.795 414 E HN 0.675 nan 8.360 nan 0.000 0.492 415 A N 1.030 123.810 122.820 -0.067 0.000 2.291 415 A HA -0.010 4.288 4.320 -0.037 0.000 0.220 415 A C 1.861 179.417 177.584 -0.047 0.000 1.262 415 A CA 0.455 52.450 52.037 -0.070 0.000 0.867 415 A CB -0.642 18.293 19.000 -0.109 0.000 0.888 415 A HN 0.131 nan 8.150 nan 0.000 0.487 416 T N -0.315 114.223 114.554 -0.027 0.000 2.802 416 T HA -0.231 4.097 4.350 -0.037 0.000 0.269 416 T C 1.543 176.254 174.700 0.018 0.000 1.062 416 T CA 2.205 64.308 62.100 0.005 0.000 1.133 416 T CB -0.373 68.502 68.868 0.010 0.000 0.852 416 T HN 0.657 nan 8.240 nan 0.000 0.485 417 D N -0.503 119.899 120.400 0.002 0.000 2.317 417 D HA 0.077 4.695 4.640 -0.037 0.000 0.211 417 D C 0.390 176.689 176.300 -0.001 0.000 0.966 417 D CA 0.321 54.325 54.000 0.007 0.000 0.876 417 D CB -0.163 40.635 40.800 -0.003 0.000 0.927 417 D HN 0.485 nan 8.370 nan 0.000 0.519 418 I N 1.251 121.808 120.570 -0.021 0.000 2.325 418 I HA 0.156 4.304 4.170 -0.037 0.000 0.291 418 I C -0.353 175.716 176.117 -0.080 0.000 1.019 418 I CA -0.786 60.481 61.300 -0.054 0.000 1.302 418 I CB 1.808 39.766 38.000 -0.071 0.000 1.401 418 I HN -0.261 nan 8.210 nan 0.000 0.485 419 V N 7.397 127.233 119.914 -0.129 0.000 2.481 419 V HA 0.482 4.580 4.120 -0.037 0.000 0.286 419 V C 0.140 176.020 176.094 -0.356 0.000 1.042 419 V CA -0.540 61.608 62.300 -0.253 0.000 0.928 419 V CB 1.622 33.238 31.823 -0.345 0.000 0.986 419 V HN 0.569 nan 8.190 nan 0.000 0.462 420 V N 2.472 122.063 119.914 -0.538 0.000 3.102 420 V HA 0.742 4.840 4.120 -0.037 0.000 0.312 420 V C -0.631 174.939 176.094 -0.873 0.000 1.135 420 V CA -0.998 60.910 62.300 -0.654 0.000 1.022 420 V CB 2.169 33.645 31.823 -0.578 0.000 1.056 420 V HN 0.860 nan 8.190 nan 0.000 0.436 421 M N 3.099 122.135 119.600 -0.940 0.000 2.294 421 M HA 0.637 5.095 4.480 -0.037 0.000 0.335 421 M C -0.692 175.152 176.300 -0.760 0.000 1.079 421 M CA -0.610 54.160 55.300 -0.883 0.000 0.982 421 M CB 1.396 33.383 32.600 -1.022 0.000 1.651 421 M HN 0.939 nan 8.290 nan 0.000 0.437 422 R N 5.902 126.152 120.500 -0.416 0.000 2.473 422 R HA 0.528 4.846 4.340 -0.037 0.000 0.303 422 R C -2.001 174.246 176.300 -0.088 0.000 1.002 422 R CA -0.436 55.557 56.100 -0.178 0.000 0.884 422 R CB 1.032 31.335 30.300 0.004 0.000 1.173 422 R HN 0.817 nan 8.270 nan 0.000 0.464 423 I N 4.776 125.311 120.570 -0.058 0.000 2.331 423 I HA 0.270 4.418 4.170 -0.037 0.000 0.292 423 I C 0.208 176.263 176.117 -0.104 0.000 0.998 423 I CA -0.507 60.750 61.300 -0.072 0.000 1.267 423 I CB 1.597 39.581 38.000 -0.028 0.000 1.386 423 I HN 0.365 nan 8.210 nan 0.000 0.476 424 M N 5.596 125.085 119.600 -0.186 0.000 2.113 424 M HA 0.249 4.707 4.480 -0.037 0.000 0.352 424 M C -0.994 175.203 176.300 -0.171 0.000 1.170 424 M CA -0.395 54.767 55.300 -0.231 0.000 1.053 424 M CB 1.081 33.432 32.600 -0.415 0.000 1.601 424 M HN 0.560 nan 8.290 nan 0.000 0.459 425 C N 5.973 125.254 119.300 -0.032 0.000 2.168 425 C HA 0.466 4.904 4.460 -0.037 0.000 0.333 425 C C 0.900 175.976 174.990 0.143 0.000 1.106 425 C CA -0.802 58.287 59.018 0.118 0.000 1.574 425 C CB -0.985 26.864 27.740 0.183 0.000 2.055 425 C HN 0.811 nan 8.230 nan 0.000 0.473 426 R N 2.057 122.602 120.500 0.074 0.000 2.810 426 R HA 0.607 4.925 4.340 -0.037 0.000 0.245 426 R C -0.022 176.312 176.300 0.057 0.000 1.168 426 R CA -0.912 55.208 56.100 0.033 0.000 1.096 426 R CB 0.866 31.071 30.300 -0.157 0.000 1.259 426 R HN 0.580 nan 8.270 nan 0.000 0.518 427 R N -0.365 120.129 120.500 -0.009 0.000 2.502 427 R HA 0.112 4.430 4.340 -0.037 0.000 0.292 427 R C 0.312 176.535 176.300 -0.129 0.000 0.998 427 R CA 1.795 57.838 56.100 -0.095 0.000 1.056 427 R CB -0.115 30.104 30.300 -0.135 0.000 0.939 427 R HN 0.971 nan 8.270 nan 0.000 0.411 428 G N 3.870 112.531 108.800 -0.233 0.000 2.352 428 G HA2 -0.266 3.672 3.960 -0.037 0.000 0.204 428 G HA3 -0.266 3.672 3.960 -0.037 0.000 0.204 428 G C -0.210 174.631 174.900 -0.099 0.000 1.004 428 G CA -0.100 44.861 45.100 -0.232 0.000 0.648 428 G HN 0.576 nan 8.290 nan 0.000 0.491 429 F N 4.501 124.361 119.950 -0.149 0.000 2.619 429 F HA 0.570 5.074 4.527 -0.038 0.000 0.350 429 F C 0.466 176.310 175.800 0.072 0.000 1.259 429 F CA -1.119 56.840 58.000 -0.068 0.000 1.204 429 F CB -0.005 38.991 39.000 -0.006 0.000 1.556 429 F HN 0.061 nan 8.300 nan 0.000 0.650 430 E N 3.287 123.488 120.200 0.002 0.000 2.292 430 E HA 0.075 4.403 4.350 -0.037 0.000 0.258 430 E C 1.264 177.772 176.600 -0.154 0.000 1.115 430 E CA -0.522 55.866 56.400 -0.020 0.000 0.929 430 E CB 0.692 30.455 29.700 0.104 0.000 1.161 430 E HN 0.548 nan 8.360 nan 0.000 0.453 431 M N 1.355 120.855 119.600 -0.166 0.000 2.113 431 M HA -0.242 4.216 4.480 -0.037 0.000 0.255 431 M C 0.991 177.162 176.300 -0.215 0.000 1.073 431 M CA 1.923 57.089 55.300 -0.224 0.000 1.091 431 M CB -0.538 31.922 32.600 -0.233 0.000 1.309 431 M HN 0.384 nan 8.290 nan 0.000 0.407 432 D N -0.858 119.415 120.400 -0.210 0.000 2.158 432 D HA -0.168 4.450 4.640 -0.037 0.000 0.197 432 D C 1.879 178.001 176.300 -0.297 0.000 0.995 432 D CA 1.544 55.373 54.000 -0.285 0.000 0.846 432 D CB -0.450 40.100 40.800 -0.416 0.000 0.941 432 D HN 0.439 nan 8.370 nan 0.000 0.456 433 F N 1.112 120.987 119.950 -0.124 0.000 2.186 433 F HA -0.002 4.502 4.527 -0.037 0.000 0.299 433 F C 2.479 178.216 175.800 -0.104 0.000 1.090 433 F CA 0.765 58.764 58.000 -0.001 0.000 1.307 433 F CB -0.562 38.464 39.000 0.042 0.000 1.019 433 F HN -0.084 nan 8.300 nan 0.000 0.489 434 A N -0.211 122.435 122.820 -0.291 0.000 1.898 434 A HA -0.153 4.145 4.320 -0.037 0.000 0.216 434 A C 2.219 179.814 177.584 0.018 0.000 1.181 434 A CA 1.438 53.355 52.037 -0.198 0.000 0.620 434 A CB -0.582 18.288 19.000 -0.217 0.000 0.819 434 A HN 0.187 nan 8.150 nan 0.000 0.442 435 E N -0.389 119.826 120.200 0.025 0.000 2.114 435 E HA -0.217 4.111 4.350 -0.037 0.000 0.199 435 E C 1.931 178.578 176.600 0.079 0.000 1.008 435 E CA 1.407 57.848 56.400 0.069 0.000 0.810 435 E CB -0.492 29.213 29.700 0.010 0.000 0.739 435 E HN 0.505 nan 8.360 nan 0.000 0.456 436 L N 0.797 122.090 121.223 0.117 0.000 2.027 436 L HA -0.093 4.225 4.340 -0.037 0.000 0.206 436 L C 2.337 179.357 176.870 0.250 0.000 1.074 436 L CA 1.384 56.359 54.840 0.225 0.000 0.745 436 L CB -0.777 41.486 42.059 0.340 0.000 0.898 436 L HN 0.166 nan 8.230 nan 0.000 0.433 437 L N -0.943 120.331 121.223 0.086 0.000 2.043 437 L HA -0.280 4.038 4.340 -0.037 0.000 0.212 437 L C 2.538 179.328 176.870 -0.132 0.000 1.075 437 L CA 1.950 56.551 54.840 -0.399 0.000 0.752 437 L CB -0.368 41.297 42.059 -0.657 0.000 0.891 437 L HN 0.383 nan 8.230 nan 0.000 0.432 438 L N -0.356 120.837 121.223 -0.049 0.000 2.083 438 L HA -0.269 4.049 4.340 -0.037 0.000 0.209 438 L C 2.505 179.414 176.870 0.065 0.000 1.083 438 L CA 1.407 56.231 54.840 -0.025 0.000 0.752 438 L CB -0.327 41.712 42.059 -0.033 0.000 0.899 438 L HN 0.355 nan 8.230 nan 0.000 0.433 439 E N -0.218 120.036 120.200 0.091 0.000 2.077 439 E HA -0.231 4.096 4.350 -0.037 0.000 0.193 439 E C 1.693 178.378 176.600 0.141 0.000 0.989 439 E CA 1.314 57.782 56.400 0.113 0.000 0.800 439 E CB 0.076 29.845 29.700 0.116 0.000 0.746 439 E HN 0.431 nan 8.360 nan 0.000 0.452 440 D N -0.543 119.961 120.400 0.172 0.000 2.219 440 D HA -0.143 4.474 4.640 -0.037 0.000 0.205 440 D C 1.534 177.918 176.300 0.140 0.000 0.970 440 D CA 0.722 54.837 54.000 0.191 0.000 0.851 440 D CB -0.145 40.856 40.800 0.336 0.000 0.943 440 D HN 0.210 nan 8.370 nan 0.000 0.488 441 Y N 1.790 122.079 120.300 -0.019 0.000 2.133 441 Y HA -0.139 4.389 4.550 -0.037 0.000 0.287 441 Y C 2.123 178.020 175.900 -0.004 0.000 1.134 441 Y CA 1.530 59.608 58.100 -0.036 0.000 1.133 441 Y CB 0.125 38.545 38.460 -0.067 0.000 0.987 441 Y HN -0.189 nan 8.280 nan 0.000 0.502 442 K N -0.191 120.355 120.400 0.243 0.000 2.103 442 K HA -0.208 4.090 4.320 -0.037 0.000 0.207 442 K C 2.265 178.918 176.600 0.088 0.000 1.048 442 K CA 1.259 57.638 56.287 0.153 0.000 0.930 442 K CB -0.391 32.185 32.500 0.128 0.000 0.716 442 K HN 0.397 nan 8.250 nan 0.000 0.444 443 A N 0.995 123.868 122.820 0.089 0.000 1.930 443 A HA -0.123 4.175 4.320 -0.037 0.000 0.217 443 A C 2.184 179.811 177.584 0.070 0.000 1.175 443 A CA 1.689 53.778 52.037 0.086 0.000 0.627 443 A CB -0.393 18.662 19.000 0.093 0.000 0.815 443 A HN 0.177 nan 8.150 nan 0.000 0.443 444 S N 0.058 115.760 115.700 0.005 0.000 2.368 444 S HA -0.061 4.387 4.470 -0.037 0.000 0.224 444 S C 1.818 176.371 174.600 -0.078 0.000 1.029 444 S CA 1.222 59.389 58.200 -0.056 0.000 0.988 444 S CB -0.448 62.651 63.200 -0.168 0.000 0.838 444 S HN 0.503 nan 8.310 nan 0.000 0.462 445 L N 1.339 122.483 121.223 -0.131 0.000 2.042 445 L HA -0.191 4.127 4.340 -0.037 0.000 0.210 445 L C 2.638 179.507 176.870 -0.002 0.000 1.076 445 L CA 1.488 56.245 54.840 -0.138 0.000 0.749 445 L CB -0.443 41.587 42.059 -0.048 0.000 0.893 445 L HN 0.320 nan 8.230 nan 0.000 0.432 446 K N -0.558 119.876 120.400 0.056 0.000 2.025 446 K HA -0.257 4.041 4.320 -0.037 0.000 0.207 446 K C 2.277 178.958 176.600 0.135 0.000 1.049 446 K CA 1.574 57.914 56.287 0.088 0.000 0.933 446 K CB -0.307 32.248 32.500 0.092 0.000 0.714 446 K HN 0.154 nan 8.250 nan 0.000 0.438 447 Y N 1.229 121.563 120.300 0.056 0.000 2.224 447 Y HA -0.175 4.353 4.550 -0.036 0.000 0.289 447 Y C 1.736 177.749 175.900 0.189 0.000 1.146 447 Y CA 1.370 59.552 58.100 0.136 0.000 1.182 447 Y CB 0.066 38.560 38.460 0.057 0.000 0.983 447 Y HN 0.034 nan 8.280 nan 0.000 0.524 448 L N -0.755 120.619 121.223 0.251 0.000 2.093 448 L HA -0.195 4.123 4.340 -0.037 0.000 0.208 448 L C 2.771 179.722 176.870 0.135 0.000 1.085 448 L CA 1.520 56.467 54.840 0.178 0.000 0.755 448 L CB -0.653 41.443 42.059 0.062 0.000 0.904 448 L HN 0.295 nan 8.230 nan 0.000 0.435 449 S N -0.902 114.858 115.700 0.100 0.000 2.428 449 S HA -0.161 4.287 4.470 -0.037 0.000 0.230 449 S C 1.533 176.124 174.600 -0.016 0.000 1.014 449 S CA 1.229 59.468 58.200 0.065 0.000 0.957 449 S CB -0.170 63.069 63.200 0.065 0.000 0.784 449 S HN 0.348 nan 8.310 nan 0.000 0.499 450 D N 0.496 120.852 120.400 -0.074 0.000 2.323 450 D HA 0.117 4.734 4.640 -0.037 0.000 0.209 450 D C -0.187 175.794 176.300 -0.532 0.000 0.973 450 D CA 0.758 54.584 54.000 -0.290 0.000 0.874 450 D CB -0.022 40.553 40.800 -0.375 0.000 0.930 450 D HN 0.611 nan 8.370 nan 0.000 0.521 451 H N -1.234 117.733 119.070 -0.172 0.000 2.348 451 H HA 0.245 4.780 4.556 -0.036 0.000 0.232 451 H C -1.833 173.480 175.328 -0.025 0.000 1.419 451 H CA -1.335 54.633 56.048 -0.134 0.000 1.416 451 H CB 1.379 31.007 29.762 -0.224 0.000 1.510 451 H HN -0.073 nan 8.280 nan 0.000 0.507 452 P HA -0.104 nan 4.420 nan 0.000 0.226 452 P C 1.257 178.603 177.300 0.076 0.000 1.153 452 P CA 0.903 64.041 63.100 0.065 0.000 0.777 452 P CB 0.442 32.159 31.700 0.028 0.000 0.794 453 K N -0.436 120.009 120.400 0.074 0.000 2.280 453 K HA -0.057 4.241 4.320 -0.037 0.000 0.202 453 K C 1.822 178.472 176.600 0.083 0.000 1.047 453 K CA 0.780 57.109 56.287 0.069 0.000 0.942 453 K CB -0.574 31.963 32.500 0.062 0.000 0.739 453 K HN 0.196 nan 8.250 nan 0.000 0.457 454 L N 0.961 122.251 121.223 0.112 0.000 2.265 454 L HA -0.146 4.172 4.340 -0.037 0.000 0.215 454 L C 1.307 178.244 176.870 0.112 0.000 1.117 454 L CA 0.518 55.427 54.840 0.115 0.000 0.782 454 L CB -0.209 41.939 42.059 0.149 0.000 0.914 454 L HN 0.304 nan 8.230 nan 0.000 0.441 455 Q N 0.179 120.049 119.800 0.117 0.000 2.247 455 Q HA 0.120 4.438 4.340 -0.037 0.000 0.288 455 Q C 0.962 177.018 176.000 0.095 0.000 1.079 455 Q CA 0.892 56.768 55.803 0.123 0.000 0.932 455 Q CB 0.338 29.139 28.738 0.104 0.000 1.133 455 Q HN 0.376 nan 8.270 nan 0.000 0.377 456 G N 3.685 112.549 108.800 0.106 0.000 2.176 456 G HA2 -0.251 3.687 3.960 -0.037 0.000 0.232 456 G HA3 -0.251 3.687 3.960 -0.037 0.000 0.232 456 G C 0.522 175.458 174.900 0.059 0.000 0.986 456 G CA 0.247 45.399 45.100 0.086 0.000 0.643 456 G HN 0.690 nan 8.290 nan 0.000 0.522 457 I N 1.293 121.898 120.570 0.059 0.000 2.277 457 I HA 0.226 4.374 4.170 -0.037 0.000 0.243 457 I C 2.042 178.162 176.117 0.005 0.000 1.094 457 I CA 1.090 62.409 61.300 0.031 0.000 1.393 457 I CB -0.269 37.754 38.000 0.038 0.000 1.078 457 I HN 0.385 nan 8.210 nan 0.000 0.417 458 A N 1.981 124.814 122.820 0.021 0.000 2.409 458 A HA 0.265 4.563 4.320 -0.037 0.000 0.267 458 A C 0.540 178.026 177.584 -0.163 0.000 1.127 458 A CA -0.177 51.848 52.037 -0.021 0.000 0.795 458 A CB 0.052 19.082 19.000 0.050 0.000 1.061 458 A HN 0.524 nan 8.150 nan 0.000 0.502 459 Q N 1.476 121.090 119.800 -0.310 0.000 1.989 459 Q HA 0.191 4.509 4.340 -0.037 0.000 0.215 459 Q C -0.393 175.257 176.000 -0.582 0.000 0.809 459 Q CA -0.376 55.031 55.803 -0.659 0.000 1.024 459 Q CB -0.029 28.487 28.738 -0.371 0.000 1.236 459 Q HN 0.654 nan 8.270 nan 0.000 0.429 460 Q N 1.790 121.381 119.800 -0.348 0.000 2.257 460 Q HA 0.316 4.634 4.340 -0.037 0.000 0.255 460 Q C -0.862 175.133 176.000 -0.008 0.000 0.920 460 Q CA -0.160 55.557 55.803 -0.143 0.000 0.927 460 Q CB 1.055 29.768 28.738 -0.042 0.000 1.229 460 Q HN 0.082 nan 8.270 nan 0.000 0.433 461 N N 1.350 120.118 118.700 0.113 0.000 2.492 461 N HA 0.130 4.848 4.740 -0.037 0.000 0.260 461 N C -0.805 174.850 175.510 0.241 0.000 1.215 461 N CA 0.237 53.468 53.050 0.301 0.000 0.923 461 N CB 0.731 39.375 38.487 0.261 0.000 1.092 461 N HN 0.536 nan 8.380 nan 0.000 0.448 462 S N 0.921 116.795 115.700 0.289 0.000 2.652 462 S HA 0.275 4.723 4.470 -0.037 0.000 0.270 462 S C 0.032 174.747 174.600 0.191 0.000 1.243 462 S CA -0.648 57.692 58.200 0.233 0.000 0.999 462 S CB 0.401 63.743 63.200 0.237 0.000 0.973 462 S HN 0.440 nan 8.310 nan 0.000 0.544 463 F N 2.934 122.904 119.950 0.033 0.000 2.602 463 F HA 0.095 4.600 4.527 -0.037 0.000 0.385 463 F C 1.382 177.122 175.800 -0.099 0.000 1.063 463 F CA -0.012 57.979 58.000 -0.015 0.000 1.233 463 F CB 0.304 39.312 39.000 0.013 0.000 1.067 463 F HN 0.650 nan 8.300 nan 0.000 0.564 464 K N 3.969 123.901 120.400 -0.780 0.000 2.450 464 K HA 0.089 4.387 4.320 -0.037 0.000 0.206 464 K C 0.783 176.792 176.600 -0.985 0.000 1.148 464 K CA 0.088 55.778 56.287 -0.995 0.000 1.014 464 K CB -0.019 31.559 32.500 -1.536 0.000 0.966 464 K HN 0.607 nan 8.250 nan 0.000 0.566 465 H N 0.674 119.053 119.070 -1.151 0.000 2.548 465 H HA 0.195 4.729 4.556 -0.037 0.000 0.265 465 H C -0.087 174.898 175.328 -0.571 0.000 0.969 465 H CA 0.912 56.501 56.048 -0.765 0.000 1.155 465 H CB 1.065 30.502 29.762 -0.543 0.000 1.394 465 H HN 0.248 nan 8.280 nan 0.000 0.570 466 T N 0.000 114.308 114.554 -0.411 0.000 3.816 466 T HA 0.000 4.328 4.350 -0.037 0.000 0.228 466 T CA 0.000 62.075 62.100 -0.042 0.000 1.349 466 T CB 0.000 68.797 68.868 -0.119 0.000 0.612 466 T HN 0.000 nan 8.240 nan 0.000 0.658