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 2ywh_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEQKNVRNFC IIAHVDHGKS TLADRLLEYT GAXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXVKMQA VRMFYKAKDG NTYKLHLIDT PGHVDFSYEV SRALAACEGA DATA SEQUENCE LLLIDASQGI EAQTVANFWK AVEQDLVIIP VINKIDLPSA DVDRVKKQIE DATA SEQUENCE EVLGLDPEEA ILASAKEGIG IEEILEAIVN RIPPPKGDPQ KPLKALIFDS DATA SEQUENCE YYDPYRGAVA FVRIFDGEVK PGDKIMLMST GKEYEVTEVG AQTPKMTKFD DATA SEQUENCE KLSAGDVGYI AASIKDVRDI RIGDTITHAK NPTKEPVPGF QPAKPMVYAG DATA SEQUENCE IYPAEDTTYE ELRDALEKYA INDAAIVYEP ESSPALGMGF RVGFLGLLHM DATA SEQUENCE EIVQERLERE YGVKIITTAP NVIYRVKKKF TDEVIEVRNP MDFPDNAGLI DATA SEQUENCE EYVEEPFVLV TIITPKEYVG PIIQLCQEKR GIQKNMTYLD PNTVYLEYEM DATA SEQUENCE PLSEIIVDFH DKIKSISRGF ASYDYEFIGY RPSDLIKLTV LINKKPVDAL DATA SEQUENCE SFIVHADRAQ KFARRVAEKL RETIPRQLFE VHIQVAKGGK VIASERIKPL DATA SEQUENCE R 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.310 55.300 0.016 0.000 0.988 1 M CB 0.000 32.613 32.600 0.021 0.000 1.302 2 E N 0.740 120.951 120.200 0.017 0.000 2.242 2 E HA 0.289 4.638 4.350 -0.001 0.000 0.275 2 E C -0.053 176.578 176.600 0.051 0.000 1.002 2 E CA -0.499 55.919 56.400 0.029 0.000 0.841 2 E CB 1.616 31.326 29.700 0.017 0.000 1.109 2 E HN 0.544 nan 8.360 nan 0.000 0.394 3 Q N 1.636 121.474 119.800 0.062 0.000 2.170 3 Q HA -0.215 4.125 4.340 -0.001 0.000 0.203 3 Q C 1.779 177.835 176.000 0.094 0.000 0.976 3 Q CA 1.369 57.220 55.803 0.081 0.000 0.858 3 Q CB -0.186 28.598 28.738 0.078 0.000 0.907 3 Q HN 0.449 nan 8.270 nan 0.000 0.433 4 K N 0.242 120.692 120.400 0.083 0.000 2.360 4 K HA -0.109 4.210 4.320 -0.001 0.000 0.201 4 K C 0.771 177.466 176.600 0.159 0.000 1.046 4 K CA 1.207 57.555 56.287 0.101 0.000 0.940 4 K CB -0.006 32.540 32.500 0.075 0.000 0.748 4 K HN 0.112 nan 8.250 nan 0.000 0.465 5 N N 1.131 119.910 118.700 0.131 0.000 2.214 5 N HA 0.094 4.834 4.740 -0.001 0.000 0.214 5 N C -0.780 174.901 175.510 0.285 0.000 1.132 5 N CA -0.040 53.116 53.050 0.177 0.000 0.856 5 N CB 1.071 39.487 38.487 -0.119 0.000 1.020 5 N HN -0.042 nan 8.380 nan 0.000 0.509 6 V N 1.572 121.606 119.914 0.199 0.000 2.532 6 V HA 0.435 4.554 4.120 -0.001 0.000 0.295 6 V C 0.092 176.264 176.094 0.130 0.000 1.041 6 V CA -0.646 61.736 62.300 0.137 0.000 0.926 6 V CB 2.118 34.010 31.823 0.114 0.000 0.992 6 V HN 0.015 nan 8.190 nan 0.000 0.457 7 R N 3.139 123.692 120.500 0.088 0.000 2.483 7 R HA 0.436 4.776 4.340 -0.001 0.000 0.303 7 R C -1.258 175.148 176.300 0.176 0.000 0.987 7 R CA -0.578 55.582 56.100 0.100 0.000 0.881 7 R CB 1.535 31.858 30.300 0.038 0.000 1.177 7 R HN 0.620 nan 8.270 nan 0.000 0.451 8 N N 4.281 123.085 118.700 0.172 0.000 2.469 8 N HA 0.364 5.103 4.740 -0.001 0.000 0.253 8 N C -0.569 175.032 175.510 0.151 0.000 0.970 8 N CA -0.166 52.970 53.050 0.144 0.000 0.940 8 N CB 1.192 39.715 38.487 0.059 0.000 1.128 8 N HN 0.431 nan 8.380 nan 0.000 0.503 9 F N -0.109 119.808 119.950 -0.055 0.000 2.650 9 F HA 0.835 5.361 4.527 -0.001 0.000 0.320 9 F C -0.341 175.402 175.800 -0.095 0.000 1.091 9 F CA -1.161 56.793 58.000 -0.076 0.000 0.962 9 F CB 0.999 39.955 39.000 -0.074 0.000 1.363 9 F HN 0.419 nan 8.300 nan 0.000 0.482 10 C N 0.469 119.723 119.300 -0.077 0.000 3.285 10 C HA 0.871 5.330 4.460 -0.001 0.000 0.320 10 C C -0.982 174.033 174.990 0.043 0.000 1.411 10 C CA -1.213 57.697 59.018 -0.180 0.000 1.429 10 C CB 1.319 28.956 27.740 -0.171 0.000 1.812 10 C HN 0.955 nan 8.230 nan 0.000 0.454 11 I N 1.957 122.524 120.570 -0.006 0.000 2.433 11 I HA 0.591 4.760 4.170 -0.001 0.000 0.292 11 I C -0.421 175.701 176.117 0.009 0.000 1.001 11 I CA -0.649 60.678 61.300 0.044 0.000 1.119 11 I CB 1.646 39.675 38.000 0.047 0.000 1.289 11 I HN 0.795 nan 8.210 nan 0.000 0.438 12 I N 3.250 123.833 120.570 0.022 0.000 2.478 12 I HA 0.957 5.127 4.170 -0.001 0.000 0.287 12 I C -0.856 175.274 176.117 0.022 0.000 1.042 12 I CA -0.367 60.940 61.300 0.012 0.000 1.067 12 I CB 1.875 39.882 38.000 0.012 0.000 1.233 12 I HN 0.612 nan 8.210 nan 0.000 0.431 13 A N 4.417 127.240 122.820 0.005 0.000 2.594 13 A HA 0.469 4.788 4.320 -0.001 0.000 0.295 13 A C -1.328 176.213 177.584 -0.072 0.000 1.071 13 A CA -0.612 51.422 52.037 -0.004 0.000 0.685 13 A CB 1.342 20.371 19.000 0.048 0.000 1.285 13 A HN 0.894 nan 8.150 nan 0.000 0.405 14 H N 1.228 120.110 119.070 -0.315 0.000 2.815 14 H HA 0.274 4.829 4.556 -0.001 0.000 0.350 14 H C 0.049 175.200 175.328 -0.294 0.000 1.080 14 H CA 0.706 56.526 56.048 -0.380 0.000 1.433 14 H CB 0.831 30.205 29.762 -0.647 0.000 1.432 14 H HN 0.417 nan 8.280 nan 0.000 0.592 15 V N 5.954 125.645 119.914 -0.372 0.000 2.617 15 V HA -0.133 3.986 4.120 -0.001 0.000 0.304 15 V C 0.805 176.960 176.094 0.101 0.000 1.040 15 V CA 1.204 63.438 62.300 -0.111 0.000 1.149 15 V CB 0.229 31.975 31.823 -0.128 0.000 0.914 15 V HN 1.048 nan 8.190 nan 0.000 0.487 16 D N -0.149 120.336 120.400 0.141 0.000 2.458 16 D HA -0.171 4.468 4.640 -0.001 0.000 0.173 16 D C 1.032 177.497 176.300 0.274 0.000 0.913 16 D CA 1.399 55.519 54.000 0.201 0.000 0.996 16 D CB -1.192 39.744 40.800 0.226 0.000 1.052 16 D HN 0.890 nan 8.370 nan 0.000 0.478 17 H N -0.360 118.762 119.070 0.087 0.000 2.546 17 H HA 0.282 4.837 4.556 -0.001 0.000 0.277 17 H C 1.712 177.065 175.328 0.043 0.000 1.004 17 H CA 0.921 57.011 56.048 0.069 0.000 1.231 17 H CB 0.431 30.242 29.762 0.081 0.000 1.382 17 H HN 0.339 nan 8.280 nan 0.000 0.580 18 G N 1.174 110.063 108.800 0.148 0.000 2.147 18 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.128 18 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.128 18 G C 0.897 175.835 174.900 0.064 0.000 1.026 18 G CA 0.316 45.465 45.100 0.082 0.000 0.693 18 G HN 0.363 nan 8.290 nan 0.000 0.499 19 K N 0.766 121.205 120.400 0.064 0.000 1.985 19 K HA -0.029 4.290 4.320 -0.001 0.000 0.210 19 K C 2.609 179.225 176.600 0.026 0.000 1.047 19 K CA 2.332 58.644 56.287 0.041 0.000 0.932 19 K CB -0.335 32.181 32.500 0.026 0.000 0.716 19 K HN 0.267 nan 8.250 nan 0.000 0.439 20 S N 0.216 115.928 115.700 0.020 0.000 2.353 20 S HA -0.143 4.326 4.470 -0.001 0.000 0.222 20 S C 1.958 176.568 174.600 0.017 0.000 1.035 20 S CA 1.863 60.069 58.200 0.010 0.000 1.025 20 S CB -0.669 62.535 63.200 0.007 0.000 0.902 20 S HN 0.489 nan 8.310 nan 0.000 0.440 21 T N 2.744 117.312 114.554 0.023 0.000 2.665 21 T HA -0.135 4.215 4.350 -0.001 0.000 0.268 21 T C 1.755 176.469 174.700 0.024 0.000 1.035 21 T CA 1.434 63.548 62.100 0.023 0.000 1.151 21 T CB -0.522 68.362 68.868 0.025 0.000 0.862 21 T HN 0.199 nan 8.240 nan 0.000 0.438 22 L N 1.256 122.495 121.223 0.025 0.000 2.093 22 L HA 0.172 4.511 4.340 -0.001 0.000 0.208 22 L C 2.570 179.459 176.870 0.032 0.000 1.085 22 L CA 1.656 56.509 54.840 0.022 0.000 0.755 22 L CB -0.985 41.088 42.059 0.023 0.000 0.904 22 L HN 0.225 nan 8.230 nan 0.000 0.435 23 A N -0.833 122.007 122.820 0.034 0.000 1.972 23 A HA -0.193 4.127 4.320 -0.001 0.000 0.219 23 A C 1.944 179.551 177.584 0.039 0.000 1.169 23 A CA 1.788 53.849 52.037 0.039 0.000 0.635 23 A CB -0.668 18.338 19.000 0.011 0.000 0.810 23 A HN 0.554 nan 8.150 nan 0.000 0.446 24 D N -0.242 120.178 120.400 0.032 0.000 2.084 24 D HA -0.122 4.517 4.640 -0.001 0.000 0.196 24 D C 2.076 178.409 176.300 0.055 0.000 0.985 24 D CA 0.972 54.994 54.000 0.038 0.000 0.826 24 D CB -0.340 40.478 40.800 0.030 0.000 0.978 24 D HN 0.186 nan 8.370 nan 0.000 0.456 25 R N 0.870 121.401 120.500 0.052 0.000 2.103 25 R HA -0.074 4.265 4.340 -0.001 0.000 0.242 25 R C 2.641 178.998 176.300 0.095 0.000 1.142 25 R CA 0.429 56.572 56.100 0.072 0.000 0.960 25 R CB -1.305 29.020 30.300 0.041 0.000 0.858 25 R HN 0.322 nan 8.270 nan 0.000 0.439 26 L N 0.311 121.568 121.223 0.056 0.000 2.017 26 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 26 L C 2.517 179.455 176.870 0.114 0.000 1.073 26 L CA 1.208 56.080 54.840 0.053 0.000 0.745 26 L CB -0.508 41.585 42.059 0.056 0.000 0.894 26 L HN 0.104 nan 8.230 nan 0.000 0.432 27 L N -0.644 120.640 121.223 0.101 0.000 2.027 27 L HA -0.191 4.148 4.340 -0.001 0.000 0.206 27 L C 2.545 179.483 176.870 0.113 0.000 1.074 27 L CA 1.246 56.146 54.840 0.101 0.000 0.745 27 L CB -0.474 41.627 42.059 0.070 0.000 0.898 27 L HN 0.273 nan 8.230 nan 0.000 0.433 28 E N -0.653 119.611 120.200 0.106 0.000 2.038 28 E HA -0.287 4.063 4.350 -0.001 0.000 0.195 28 E C 2.061 178.733 176.600 0.120 0.000 1.000 28 E CA 1.734 58.192 56.400 0.097 0.000 0.803 28 E CB -0.258 29.494 29.700 0.086 0.000 0.750 28 E HN 0.375 nan 8.360 nan 0.000 0.448 29 Y N 1.525 121.849 120.300 0.039 0.000 2.097 29 Y HA -0.295 4.254 4.550 -0.001 0.000 0.282 29 Y C 2.811 178.762 175.900 0.085 0.000 1.152 29 Y CA 2.348 60.477 58.100 0.049 0.000 1.136 29 Y CB -0.419 38.054 38.460 0.021 0.000 0.975 29 Y HN 0.150 nan 8.280 nan 0.000 0.498 30 T N -2.825 111.913 114.554 0.306 0.000 2.770 30 T HA -0.048 4.301 4.350 -0.001 0.000 0.263 30 T C 2.201 177.005 174.700 0.174 0.000 1.039 30 T CA 1.002 63.265 62.100 0.271 0.000 1.142 30 T CB -1.440 67.578 68.868 0.250 0.000 0.868 30 T HN 0.409 nan 8.240 nan 0.000 0.435 31 G N 2.461 111.343 108.800 0.137 0.000 2.628 31 G HA2 0.175 4.134 3.960 -0.001 0.000 0.217 31 G HA3 0.175 4.134 3.960 -0.001 0.000 0.217 31 G C 0.742 175.685 174.900 0.073 0.000 1.240 31 G CA 0.990 46.154 45.100 0.107 0.000 0.792 31 G HN 0.977 nan 8.290 nan 0.000 0.593 57 K N 4.133 124.370 120.400 -0.272 0.000 2.397 57 K HA 0.396 4.715 4.320 -0.001 0.000 0.265 57 K C 0.138 176.609 176.600 -0.214 0.000 0.982 57 K CA -0.407 55.761 56.287 -0.200 0.000 0.931 57 K CB 0.992 33.382 32.500 -0.184 0.000 0.943 57 K HN 0.717 nan 8.250 nan 0.000 0.501 58 M N 2.495 121.990 119.600 -0.176 0.000 2.227 58 M HA -0.004 4.475 4.480 -0.001 0.000 0.349 58 M C -0.933 175.208 176.300 -0.265 0.000 1.443 58 M CA 0.506 55.701 55.300 -0.174 0.000 1.110 58 M CB 0.368 32.898 32.600 -0.117 0.000 1.773 58 M HN 0.835 nan 8.290 nan 0.000 0.463 59 Q N 3.956 123.550 119.800 -0.344 0.000 2.647 59 Q HA 0.502 4.841 4.340 -0.001 0.000 0.283 59 Q C -0.893 174.880 176.000 -0.379 0.000 0.943 59 Q CA 0.355 55.857 55.803 -0.502 0.000 0.813 59 Q CB 1.651 29.750 28.738 -1.064 0.000 1.477 59 Q HN 0.931 nan 8.270 nan 0.000 0.393 60 A N 0.704 123.404 122.820 -0.201 0.000 2.511 60 A HA -0.095 4.224 4.320 -0.001 0.000 0.297 60 A C -0.446 177.164 177.584 0.043 0.000 1.476 60 A CA 0.959 53.009 52.037 0.021 0.000 0.757 60 A CB -2.106 17.029 19.000 0.226 0.000 1.072 60 A HN 0.648 nan 8.150 nan 0.000 0.413 61 V N 1.798 121.704 119.914 -0.012 0.000 2.455 61 V HA 0.296 4.416 4.120 -0.001 0.000 0.273 61 V C 1.036 177.188 176.094 0.097 0.000 1.045 61 V CA 0.162 62.480 62.300 0.031 0.000 0.976 61 V CB 1.135 32.943 31.823 -0.025 0.000 0.993 61 V HN 0.665 nan 8.190 nan 0.000 0.475 62 R N 5.636 126.226 120.500 0.150 0.000 2.265 62 R HA 0.712 5.051 4.340 -0.001 0.000 0.319 62 R C -0.821 175.436 176.300 -0.072 0.000 1.006 62 R CA -0.429 55.733 56.100 0.103 0.000 0.880 62 R CB 0.921 31.333 30.300 0.187 0.000 1.077 62 R HN 0.718 nan 8.270 nan 0.000 0.454 63 M N 3.537 123.014 119.600 -0.205 0.000 2.644 63 M HA 0.453 4.933 4.480 -0.001 0.000 0.304 63 M C -1.362 174.740 176.300 -0.329 0.000 1.215 63 M CA -0.749 54.468 55.300 -0.137 0.000 0.871 63 M CB 2.226 34.850 32.600 0.041 0.000 1.740 63 M HN 0.362 nan 8.290 nan 0.000 0.464 64 F N 1.210 121.235 119.950 0.124 0.000 2.507 64 F HA 0.523 5.050 4.527 -0.001 0.000 0.325 64 F C -1.020 174.916 175.800 0.227 0.000 1.116 64 F CA -0.705 57.372 58.000 0.128 0.000 0.930 64 F CB 1.363 40.404 39.000 0.068 0.000 1.146 64 F HN 0.355 nan 8.300 nan 0.000 0.447 65 Y N 4.040 124.510 120.300 0.284 0.000 2.354 65 Y HA 0.396 4.945 4.550 -0.001 0.000 0.330 65 Y C -0.913 175.131 175.900 0.240 0.000 1.011 65 Y CA -1.724 56.513 58.100 0.228 0.000 1.099 65 Y CB 1.313 39.875 38.460 0.170 0.000 1.179 65 Y HN 0.597 nan 8.280 nan 0.000 0.442 66 K N 5.115 125.311 120.400 -0.341 0.000 2.284 66 K HA 0.764 5.084 4.320 -0.001 0.000 0.287 66 K C -0.165 175.961 176.600 -0.791 0.000 1.081 66 K CA -0.380 55.693 56.287 -0.357 0.000 0.910 66 K CB 1.097 33.484 32.500 -0.189 0.000 1.088 66 K HN 0.579 nan 8.250 nan 0.000 0.478 67 A N 3.543 126.067 122.820 -0.493 0.000 2.251 67 A HA 0.146 4.466 4.320 -0.001 0.000 0.278 67 A C 0.646 178.154 177.584 -0.126 0.000 1.206 67 A CA -0.494 51.331 52.037 -0.353 0.000 0.822 67 A CB 0.284 19.341 19.000 0.096 0.000 1.187 67 A HN 0.862 nan 8.150 nan 0.000 0.504 68 K N -0.180 120.215 120.400 -0.007 0.000 2.366 68 K HA -0.074 4.245 4.320 -0.001 0.000 0.198 68 K C 0.558 177.170 176.600 0.020 0.000 1.044 68 K CA 1.086 57.381 56.287 0.013 0.000 0.973 68 K CB 0.016 32.540 32.500 0.041 0.000 0.767 68 K HN 0.801 nan 8.250 nan 0.000 0.475 69 D N -0.466 119.962 120.400 0.047 0.000 2.363 69 D HA -0.030 4.609 4.640 -0.001 0.000 0.226 69 D C 1.200 177.520 176.300 0.032 0.000 1.020 69 D CA 0.971 55.004 54.000 0.054 0.000 0.892 69 D CB 0.267 41.125 40.800 0.098 0.000 0.900 69 D HN 0.276 nan 8.370 nan 0.000 0.531 70 G N 0.230 109.034 108.800 0.007 0.000 2.317 70 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.227 70 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.227 70 G C 0.294 175.162 174.900 -0.053 0.000 1.042 70 G CA -0.032 45.052 45.100 -0.026 0.000 0.623 70 G HN 0.432 nan 8.290 nan 0.000 0.509 71 N N 1.379 120.052 118.700 -0.045 0.000 2.482 71 N HA 0.429 5.169 4.740 -0.001 0.000 0.260 71 N C -0.260 175.125 175.510 -0.209 0.000 1.236 71 N CA 0.701 53.644 53.050 -0.179 0.000 0.938 71 N CB 0.805 39.092 38.487 -0.333 0.000 1.128 71 N HN 0.250 nan 8.380 nan 0.000 0.448 72 T N 1.726 116.116 114.554 -0.273 0.000 2.795 72 T HA 0.407 4.756 4.350 -0.001 0.000 0.282 72 T C -0.585 173.991 174.700 -0.206 0.000 0.980 72 T CA -0.221 61.802 62.100 -0.128 0.000 1.012 72 T CB 0.214 69.040 68.868 -0.071 0.000 0.936 72 T HN 0.217 nan 8.240 nan 0.000 0.457 73 Y N 1.221 121.601 120.300 0.133 0.000 2.468 73 Y HA 0.464 5.014 4.550 -0.001 0.000 0.342 73 Y C 0.533 176.523 175.900 0.150 0.000 1.021 73 Y CA -1.064 57.119 58.100 0.139 0.000 1.079 73 Y CB 1.566 40.103 38.460 0.128 0.000 1.226 73 Y HN 0.348 nan 8.280 nan 0.000 0.460 74 K N 3.322 123.825 120.400 0.171 0.000 2.268 74 K HA 0.403 4.723 4.320 -0.001 0.000 0.276 74 K C -1.757 174.673 176.600 -0.282 0.000 1.080 74 K CA -0.493 55.684 56.287 -0.182 0.000 0.910 74 K CB 0.217 32.597 32.500 -0.201 0.000 1.163 74 K HN 0.521 nan 8.250 nan 0.000 0.465 75 L N 3.983 125.047 121.223 -0.265 0.000 2.325 75 L HA 0.342 4.682 4.340 -0.001 0.000 0.279 75 L C -0.495 176.220 176.870 -0.258 0.000 1.054 75 L CA -0.349 54.418 54.840 -0.121 0.000 0.804 75 L CB 1.312 43.449 42.059 0.129 0.000 1.200 75 L HN 0.577 nan 8.230 nan 0.000 0.436 76 H N 2.667 121.771 119.070 0.056 0.000 2.646 76 H HA 0.472 5.027 4.556 -0.001 0.000 0.328 76 H C -0.924 174.147 175.328 -0.429 0.000 0.998 76 H CA -0.819 55.160 56.048 -0.116 0.000 1.225 76 H CB 1.767 31.472 29.762 -0.095 0.000 1.457 76 H HN 0.351 nan 8.280 nan 0.000 0.505 77 L N 5.126 126.117 121.223 -0.386 0.000 2.260 77 L HA 0.372 4.711 4.340 -0.001 0.000 0.289 77 L C -0.997 175.594 176.870 -0.465 0.000 1.057 77 L CA -0.080 54.291 54.840 -0.781 0.000 0.811 77 L CB 0.029 41.795 42.059 -0.487 0.000 1.184 77 L HN 0.620 nan 8.230 nan 0.000 0.429 78 I N 4.523 124.778 120.570 -0.525 0.000 2.312 78 I HA 0.194 4.363 4.170 -0.001 0.000 0.290 78 I C -0.306 175.626 176.117 -0.308 0.000 1.008 78 I CA -0.633 60.426 61.300 -0.401 0.000 1.226 78 I CB 1.376 39.030 38.000 -0.577 0.000 1.371 78 I HN 0.604 nan 8.210 nan 0.000 0.468 79 D N 5.311 125.581 120.400 -0.217 0.000 2.350 79 D HA 0.224 4.863 4.640 -0.001 0.000 0.249 79 D C -0.243 175.985 176.300 -0.121 0.000 1.119 79 D CA 0.129 54.032 54.000 -0.163 0.000 0.886 79 D CB 0.980 41.685 40.800 -0.158 0.000 1.195 79 D HN 0.557 nan 8.370 nan 0.000 0.437 80 T N 1.084 115.579 114.554 -0.098 0.000 2.885 80 T HA 0.688 5.037 4.350 -0.001 0.000 0.285 80 T C -2.540 172.134 174.700 -0.043 0.000 1.019 80 T CA -1.932 60.129 62.100 -0.065 0.000 1.010 80 T CB 1.571 70.402 68.868 -0.060 0.000 1.022 80 T HN 0.102 nan 8.240 nan 0.000 0.466 81 P HA 0.365 nan 4.420 nan 0.000 0.272 81 P C 0.785 178.120 177.300 0.057 0.000 1.230 81 P CA -0.294 62.812 63.100 0.009 0.000 0.788 81 P CB 0.339 32.079 31.700 0.066 0.000 0.949 82 G N -1.031 107.826 108.800 0.095 0.000 3.228 82 G HA2 -0.003 3.957 3.960 -0.001 0.000 0.245 82 G HA3 -0.003 3.957 3.960 -0.001 0.000 0.245 82 G C 0.071 175.009 174.900 0.063 0.000 1.051 82 G CA 0.408 45.537 45.100 0.048 0.000 0.809 82 G HN 0.530 nan 8.290 nan 0.000 0.531 83 H N 0.564 119.698 119.070 0.107 0.000 2.472 83 H HA 0.266 4.821 4.556 -0.002 0.000 0.338 83 H C 1.103 176.389 175.328 -0.070 0.000 1.133 83 H CA -0.456 55.600 56.048 0.014 0.000 1.216 83 H CB 2.480 32.279 29.762 0.062 0.000 1.497 83 H HN -0.117 nan 8.280 nan 0.000 0.500 84 V N 4.350 123.969 119.914 -0.492 0.000 2.527 84 V HA -0.270 3.850 4.120 -0.001 0.000 0.255 84 V C 1.132 177.118 176.094 -0.180 0.000 1.081 84 V CA 2.580 64.660 62.300 -0.366 0.000 1.092 84 V CB -0.269 31.141 31.823 -0.688 0.000 0.673 84 V HN 0.721 nan 8.190 nan 0.000 0.470 85 D N 0.048 120.442 120.400 -0.010 0.000 2.182 85 D HA -0.122 4.517 4.640 -0.001 0.000 0.201 85 D C 1.149 177.128 176.300 -0.535 0.000 0.986 85 D CA 1.505 55.291 54.000 -0.358 0.000 0.847 85 D CB -0.266 40.076 40.800 -0.763 0.000 0.942 85 D HN 0.656 nan 8.370 nan 0.000 0.467 86 F N -0.184 119.821 119.950 0.092 0.000 2.837 86 F HA 0.284 4.811 4.527 -0.002 0.000 0.298 86 F C 1.961 177.793 175.800 0.053 0.000 1.161 86 F CA -0.462 57.569 58.000 0.053 0.000 1.353 86 F CB -0.155 38.863 39.000 0.030 0.000 0.951 86 F HN -0.236 nan 8.300 nan 0.000 0.508 87 S N 0.337 116.109 115.700 0.121 0.000 2.365 87 S HA -0.318 4.151 4.470 -0.001 0.000 0.225 87 S C 2.236 176.922 174.600 0.144 0.000 1.039 87 S CA 1.845 60.105 58.200 0.100 0.000 1.033 87 S CB -0.465 62.770 63.200 0.058 0.000 0.887 87 S HN 0.555 nan 8.310 nan 0.000 0.447 88 Y N 2.119 122.458 120.300 0.065 0.000 2.128 88 Y HA -0.164 4.389 4.550 0.004 0.000 0.284 88 Y C 2.050 178.002 175.900 0.086 0.000 1.154 88 Y CA 2.454 60.591 58.100 0.061 0.000 1.149 88 Y CB -0.858 37.623 38.460 0.035 0.000 0.976 88 Y HN 0.320 nan 8.280 nan 0.000 0.505 89 E N -0.330 119.861 120.200 -0.014 0.000 2.118 89 E HA -0.159 4.190 4.350 -0.001 0.000 0.195 89 E C 2.326 178.890 176.600 -0.059 0.000 0.992 89 E CA 1.562 57.916 56.400 -0.077 0.000 0.804 89 E CB -0.535 29.229 29.700 0.105 0.000 0.741 89 E HN 0.378 nan 8.360 nan 0.000 0.458 90 V N 0.947 120.865 119.914 0.007 0.000 2.343 90 V HA -0.278 3.841 4.120 -0.001 0.000 0.247 90 V C 2.404 178.475 176.094 -0.040 0.000 1.051 90 V CA 1.948 64.248 62.300 0.000 0.000 1.036 90 V CB -0.735 31.107 31.823 0.033 0.000 0.654 90 V HN 0.445 nan 8.190 nan 0.000 0.451 91 S N 0.275 115.941 115.700 -0.057 0.000 2.382 91 S HA -0.212 4.257 4.470 -0.001 0.000 0.228 91 S C 2.102 176.649 174.600 -0.089 0.000 1.027 91 S CA 0.912 59.080 58.200 -0.054 0.000 0.991 91 S CB -0.373 62.816 63.200 -0.019 0.000 0.823 91 S HN 0.438 nan 8.310 nan 0.000 0.469 92 R N 1.825 122.213 120.500 -0.187 0.000 2.092 92 R HA 0.226 4.565 4.340 -0.001 0.000 0.231 92 R C 2.668 178.962 176.300 -0.010 0.000 1.119 92 R CA 1.358 57.389 56.100 -0.115 0.000 0.970 92 R CB -1.730 28.442 30.300 -0.214 0.000 0.864 92 R HN 0.623 nan 8.270 nan 0.000 0.440 93 A N 0.838 123.634 122.820 -0.040 0.000 1.930 93 A HA -0.086 4.234 4.320 -0.001 0.000 0.217 93 A C 2.086 179.557 177.584 -0.189 0.000 1.175 93 A CA 0.902 52.853 52.037 -0.144 0.000 0.627 93 A CB -0.310 18.622 19.000 -0.112 0.000 0.815 93 A HN 0.089 nan 8.150 nan 0.000 0.443 94 L N -0.287 120.875 121.223 -0.102 0.000 2.083 94 L HA -0.081 4.258 4.340 -0.001 0.000 0.209 94 L C 2.891 179.736 176.870 -0.042 0.000 1.083 94 L CA 1.735 56.530 54.840 -0.076 0.000 0.752 94 L CB -1.149 40.883 42.059 -0.044 0.000 0.899 94 L HN 0.399 nan 8.230 nan 0.000 0.433 95 A N -0.929 121.888 122.820 -0.005 0.000 2.125 95 A HA -0.038 4.281 4.320 -0.001 0.000 0.219 95 A C 2.297 179.974 177.584 0.154 0.000 1.156 95 A CA 1.433 53.517 52.037 0.077 0.000 0.671 95 A CB -0.604 18.456 19.000 0.099 0.000 0.794 95 A HN 0.362 nan 8.150 nan 0.000 0.459 96 A N -1.841 120.975 122.820 -0.007 0.000 2.218 96 A HA 0.329 4.648 4.320 -0.001 0.000 0.209 96 A C 0.899 178.378 177.584 -0.176 0.000 1.168 96 A CA 0.588 52.547 52.037 -0.130 0.000 0.804 96 A CB -0.491 18.243 19.000 -0.443 0.000 0.834 96 A HN 0.508 nan 8.150 nan 0.000 0.482 97 C N -2.017 117.217 119.300 -0.109 0.000 2.505 97 C HA 0.645 5.104 4.460 -0.001 0.000 0.358 97 C C 1.258 176.257 174.990 0.016 0.000 1.226 97 C CA -0.364 58.612 59.018 -0.071 0.000 1.900 97 C CB 1.502 29.187 27.740 -0.091 0.000 2.306 97 C HN 0.567 nan 8.230 nan 0.000 0.512 98 E N -0.252 119.970 120.200 0.037 0.000 2.413 98 E HA 0.323 4.672 4.350 -0.001 0.000 0.203 98 E C 0.725 177.347 176.600 0.035 0.000 0.957 98 E CA 0.435 56.865 56.400 0.051 0.000 0.950 98 E CB 0.595 30.331 29.700 0.061 0.000 0.957 98 E HN 0.885 nan 8.360 nan 0.000 0.497 99 G N -0.791 108.037 108.800 0.046 0.000 2.687 99 G HA2 0.753 4.713 3.960 -0.001 0.000 0.291 99 G HA3 0.753 4.713 3.960 -0.001 0.000 0.291 99 G C -1.540 173.398 174.900 0.063 0.000 1.420 99 G CA -0.245 44.878 45.100 0.038 0.000 0.796 99 G HN 0.115 nan 8.290 nan 0.000 0.485 100 A N -0.698 122.149 122.820 0.045 0.000 2.549 100 A HA 0.702 5.021 4.320 -0.001 0.000 0.297 100 A C -1.779 175.837 177.584 0.053 0.000 1.061 100 A CA -0.535 51.540 52.037 0.064 0.000 0.690 100 A CB 1.719 20.729 19.000 0.017 0.000 1.287 100 A HN 0.727 nan 8.150 nan 0.000 0.402 101 L N 1.768 123.040 121.223 0.082 0.000 2.255 101 L HA 0.399 4.738 4.340 -0.001 0.000 0.289 101 L C -0.239 176.656 176.870 0.041 0.000 1.046 101 L CA -0.191 54.672 54.840 0.040 0.000 0.816 101 L CB 0.921 43.010 42.059 0.050 0.000 1.197 101 L HN 0.626 nan 8.230 nan 0.000 0.427 102 L N 5.337 126.580 121.223 0.034 0.000 2.328 102 L HA 0.348 4.687 4.340 -0.001 0.000 0.280 102 L C -0.457 176.438 176.870 0.041 0.000 1.111 102 L CA -0.232 54.636 54.840 0.046 0.000 0.909 102 L CB 0.356 42.453 42.059 0.064 0.000 1.277 102 L HN 0.441 nan 8.230 nan 0.000 0.433 103 L N 6.361 127.617 121.223 0.055 0.000 2.361 103 L HA 0.422 4.761 4.340 -0.001 0.000 0.278 103 L C -0.476 176.477 176.870 0.140 0.000 1.113 103 L CA 0.654 55.539 54.840 0.076 0.000 0.849 103 L CB 0.147 42.255 42.059 0.081 0.000 1.155 103 L HN 0.472 nan 8.230 nan 0.000 0.452 104 I N 3.910 124.559 120.570 0.132 0.000 2.545 104 I HA 0.267 4.436 4.170 -0.001 0.000 0.292 104 I C -0.691 175.469 176.117 0.071 0.000 1.040 104 I CA -0.959 60.468 61.300 0.211 0.000 1.068 104 I CB 1.903 39.958 38.000 0.091 0.000 1.251 104 I HN 0.451 nan 8.210 nan 0.000 0.424 105 D N 4.495 124.802 120.400 -0.156 0.000 2.339 105 D HA 0.257 4.897 4.640 -0.001 0.000 0.256 105 D C 0.942 177.111 176.300 -0.218 0.000 1.214 105 D CA -0.006 53.745 54.000 -0.414 0.000 0.877 105 D CB 1.847 42.032 40.800 -1.025 0.000 1.111 105 D HN 0.663 nan 8.370 nan 0.000 0.478 106 A N 3.162 125.908 122.820 -0.122 0.000 2.024 106 A HA -0.170 4.150 4.320 -0.001 0.000 0.220 106 A C 2.006 179.544 177.584 -0.078 0.000 1.164 106 A CA 1.904 53.894 52.037 -0.078 0.000 0.643 106 A CB -0.388 18.579 19.000 -0.055 0.000 0.806 106 A HN 0.600 nan 8.150 nan 0.000 0.451 107 S N -2.128 113.514 115.700 -0.096 0.000 2.528 107 S HA 0.029 4.499 4.470 -0.001 0.000 0.219 107 S C 1.649 176.209 174.600 -0.067 0.000 0.985 107 S CA 0.617 58.777 58.200 -0.067 0.000 0.914 107 S CB 0.055 63.227 63.200 -0.048 0.000 0.776 107 S HN 0.547 nan 8.310 nan 0.000 0.526 108 Q N 0.748 120.481 119.800 -0.112 0.000 2.462 108 Q HA 0.375 4.714 4.340 -0.001 0.000 0.224 108 Q C 1.362 177.346 176.000 -0.027 0.000 0.911 108 Q CA 0.865 56.629 55.803 -0.067 0.000 0.925 108 Q CB 0.125 28.792 28.738 -0.120 0.000 1.063 108 Q HN 0.640 nan 8.270 nan 0.000 0.572 109 G N 1.486 110.265 108.800 -0.035 0.000 2.681 109 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.220 109 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.220 109 G C -0.273 174.667 174.900 0.066 0.000 1.353 109 G CA -0.399 44.703 45.100 0.004 0.000 0.872 109 G HN 0.179 nan 8.290 nan 0.000 0.557 110 I N 1.563 122.151 120.570 0.030 0.000 2.648 110 I HA 0.262 4.431 4.170 -0.001 0.000 0.284 110 I C 0.973 177.091 176.117 0.001 0.000 1.153 110 I CA 0.606 61.918 61.300 0.021 0.000 1.426 110 I CB 0.532 38.521 38.000 -0.019 0.000 1.381 110 I HN 0.537 nan 8.210 nan 0.000 0.571 111 E N 3.345 123.505 120.200 -0.067 0.000 2.370 111 E HA 0.478 4.827 4.350 -0.001 0.000 0.259 111 E C 0.613 177.212 176.600 -0.002 0.000 0.947 111 E CA -0.732 55.553 56.400 -0.192 0.000 0.809 111 E CB 1.383 30.575 29.700 -0.847 0.000 1.300 111 E HN 0.624 nan 8.360 nan 0.000 0.419 112 A N 0.555 123.426 122.820 0.085 0.000 1.869 112 A HA -0.309 4.010 4.320 -0.001 0.000 0.218 112 A C 1.911 179.624 177.584 0.215 0.000 1.203 112 A CA 2.093 54.252 52.037 0.202 0.000 0.638 112 A CB -0.766 18.352 19.000 0.197 0.000 0.831 112 A HN 0.619 nan 8.150 nan 0.000 0.450 113 Q N -1.115 118.872 119.800 0.312 0.000 2.167 113 Q HA -0.105 4.234 4.340 -0.001 0.000 0.202 113 Q C 2.142 178.215 176.000 0.121 0.000 0.970 113 Q CA 1.657 57.533 55.803 0.122 0.000 0.855 113 Q CB -0.458 28.226 28.738 -0.090 0.000 0.911 113 Q HN 0.710 nan 8.270 nan 0.000 0.438 114 T N 0.598 115.236 114.554 0.140 0.000 2.684 114 T HA -0.138 4.211 4.350 -0.001 0.000 0.267 114 T C 2.042 176.795 174.700 0.087 0.000 1.036 114 T CA 1.461 63.603 62.100 0.070 0.000 1.148 114 T CB -0.255 68.626 68.868 0.020 0.000 0.863 114 T HN 0.068 nan 8.240 nan 0.000 0.436 115 V N 1.585 121.568 119.914 0.115 0.000 2.307 115 V HA -0.113 4.007 4.120 -0.001 0.000 0.245 115 V C 2.902 179.179 176.094 0.305 0.000 1.045 115 V CA 1.591 63.991 62.300 0.165 0.000 1.024 115 V CB -1.247 30.715 31.823 0.231 0.000 0.651 115 V HN 0.527 nan 8.190 nan 0.000 0.449 116 A N 0.466 123.451 122.820 0.275 0.000 1.883 116 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 116 A C 2.092 179.804 177.584 0.214 0.000 1.186 116 A CA 2.120 54.318 52.037 0.269 0.000 0.624 116 A CB -0.691 18.404 19.000 0.158 0.000 0.822 116 A HN 0.589 nan 8.150 nan 0.000 0.444 117 N N -1.126 117.658 118.700 0.139 0.000 2.188 117 N HA -0.127 4.612 4.740 -0.001 0.000 0.184 117 N C 1.494 177.049 175.510 0.074 0.000 1.018 117 N CA 1.454 54.557 53.050 0.088 0.000 0.858 117 N CB -0.544 37.975 38.487 0.053 0.000 0.989 117 N HN 0.549 nan 8.380 nan 0.000 0.426 118 F N 0.556 120.454 119.950 -0.087 0.000 2.065 118 F HA -0.193 4.333 4.527 -0.001 0.000 0.298 118 F C 1.976 177.632 175.800 -0.241 0.000 1.112 118 F CA 1.601 59.458 58.000 -0.238 0.000 1.212 118 F CB -0.712 38.028 39.000 -0.434 0.000 0.975 118 F HN 0.028 nan 8.300 nan 0.000 0.476 119 W N 0.874 122.161 121.300 -0.022 0.000 2.374 119 W HA -0.109 4.551 4.660 -0.001 0.000 0.288 119 W C 2.417 178.862 176.519 -0.123 0.000 1.218 119 W CA 0.998 58.271 57.345 -0.120 0.000 1.245 119 W CB -0.242 29.262 29.460 0.073 0.000 1.126 119 W HN -0.050 nan 8.180 nan 0.000 0.545 120 K N -0.059 120.423 120.400 0.136 0.000 2.103 120 K HA -0.075 4.244 4.320 -0.001 0.000 0.204 120 K C 2.282 178.876 176.600 -0.011 0.000 1.052 120 K CA 1.285 57.616 56.287 0.075 0.000 0.945 120 K CB -0.461 32.078 32.500 0.065 0.000 0.722 120 K HN 0.084 nan 8.250 nan 0.000 0.443 121 A N 1.015 123.778 122.820 -0.095 0.000 1.898 121 A HA -0.105 4.214 4.320 -0.001 0.000 0.216 121 A C 2.353 179.828 177.584 -0.182 0.000 1.181 121 A CA 1.231 53.185 52.037 -0.137 0.000 0.620 121 A CB -0.665 18.233 19.000 -0.170 0.000 0.819 121 A HN 0.050 nan 8.150 nan 0.000 0.442 122 V N 0.300 120.020 119.914 -0.325 0.000 2.287 122 V HA -0.314 3.806 4.120 -0.001 0.000 0.248 122 V C 2.387 178.453 176.094 -0.047 0.000 1.053 122 V CA 2.410 64.556 62.300 -0.258 0.000 1.027 122 V CB -0.905 30.736 31.823 -0.304 0.000 0.646 122 V HN 0.648 nan 8.190 nan 0.000 0.447 123 E N -0.427 119.785 120.200 0.020 0.000 2.209 123 E HA -0.211 4.138 4.350 -0.001 0.000 0.196 123 E C 1.917 178.528 176.600 0.018 0.000 0.993 123 E CA 0.890 57.316 56.400 0.044 0.000 0.819 123 E CB -0.068 29.671 29.700 0.065 0.000 0.745 123 E HN 0.569 nan 8.360 nan 0.000 0.477 124 Q N 0.467 120.266 119.800 -0.002 0.000 2.280 124 Q HA -0.009 4.330 4.340 -0.001 0.000 0.202 124 Q C -0.573 175.425 176.000 -0.004 0.000 0.903 124 Q CA 0.232 56.036 55.803 0.002 0.000 0.948 124 Q CB 0.436 29.174 28.738 0.000 0.000 1.058 124 Q HN 0.210 nan 8.270 nan 0.000 0.493 125 D N 0.695 121.086 120.400 -0.015 0.000 2.708 125 D HA -0.195 4.444 4.640 -0.001 0.000 0.236 125 D C -0.440 175.849 176.300 -0.018 0.000 1.146 125 D CA 0.644 54.635 54.000 -0.014 0.000 0.662 125 D CB -1.458 39.343 40.800 0.002 0.000 1.059 125 D HN 0.314 nan 8.370 nan 0.000 0.428 126 L N -0.232 120.966 121.223 -0.041 0.000 2.357 126 L HA 0.398 4.737 4.340 -0.001 0.000 0.273 126 L C 1.033 177.879 176.870 -0.040 0.000 1.080 126 L CA -0.994 53.827 54.840 -0.032 0.000 0.803 126 L CB 1.502 43.538 42.059 -0.039 0.000 1.174 126 L HN -0.233 nan 8.230 nan 0.000 0.443 127 V N 3.935 123.838 119.914 -0.019 0.000 2.508 127 V HA 0.162 4.281 4.120 -0.001 0.000 0.281 127 V C 0.329 176.410 176.094 -0.022 0.000 1.041 127 V CA 0.135 62.423 62.300 -0.020 0.000 1.016 127 V CB 1.037 32.851 31.823 -0.014 0.000 0.984 127 V HN 0.423 nan 8.190 nan 0.000 0.478 128 I N 6.553 127.111 120.570 -0.020 0.000 2.339 128 I HA 0.445 4.614 4.170 -0.001 0.000 0.290 128 I C -0.317 175.803 176.117 0.005 0.000 0.994 128 I CA -0.281 61.019 61.300 -0.001 0.000 1.191 128 I CB 1.483 39.498 38.000 0.026 0.000 1.343 128 I HN 0.409 nan 8.210 nan 0.000 0.458 129 I N 8.698 129.264 120.570 -0.007 0.000 2.359 129 I HA 0.293 4.462 4.170 -0.001 0.000 0.284 129 I C -2.228 173.878 176.117 -0.018 0.000 1.018 129 I CA -1.917 59.367 61.300 -0.028 0.000 1.173 129 I CB 1.350 39.310 38.000 -0.066 0.000 1.326 129 I HN 0.257 nan 8.210 nan 0.000 0.462 130 P HA 0.132 nan 4.420 nan 0.000 0.281 130 P C -0.736 176.548 177.300 -0.027 0.000 1.252 130 P CA -0.157 62.934 63.100 -0.016 0.000 0.778 130 P CB 1.821 33.504 31.700 -0.028 0.000 0.895 131 V N 3.353 123.256 119.914 -0.017 0.000 2.525 131 V HA 0.493 4.612 4.120 -0.001 0.000 0.299 131 V C -0.561 175.526 176.094 -0.011 0.000 1.034 131 V CA -0.966 61.319 62.300 -0.025 0.000 0.863 131 V CB 1.325 33.128 31.823 -0.034 0.000 0.999 131 V HN 0.295 nan 8.190 nan 0.000 0.423 132 I N 5.275 125.833 120.570 -0.021 0.000 2.301 132 I HA 0.390 4.559 4.170 -0.001 0.000 0.292 132 I C 0.332 176.435 176.117 -0.022 0.000 1.046 132 I CA 0.076 61.364 61.300 -0.019 0.000 1.282 132 I CB 0.815 38.798 38.000 -0.028 0.000 1.409 132 I HN 0.788 nan 8.210 nan 0.000 0.484 133 N N 5.264 123.953 118.700 -0.018 0.000 2.476 133 N HA 0.292 5.031 4.740 -0.001 0.000 0.276 133 N C -0.247 175.240 175.510 -0.037 0.000 1.204 133 N CA -0.424 52.614 53.050 -0.020 0.000 0.974 133 N CB 0.760 39.248 38.487 0.001 0.000 1.204 133 N HN 0.412 nan 8.380 nan 0.000 0.543 134 K N 0.248 120.631 120.400 -0.028 0.000 3.129 134 K HA -0.152 4.167 4.320 -0.001 0.000 0.273 134 K C 0.820 177.402 176.600 -0.030 0.000 1.123 134 K CA 0.843 57.112 56.287 -0.030 0.000 0.800 134 K CB -2.036 30.436 32.500 -0.047 0.000 1.238 134 K HN 0.635 nan 8.250 nan 0.000 0.492 135 I N -1.576 118.978 120.570 -0.026 0.000 3.083 135 I HA -0.161 4.008 4.170 -0.001 0.000 0.273 135 I C 1.794 177.901 176.117 -0.018 0.000 1.297 135 I CA 1.425 62.710 61.300 -0.024 0.000 1.452 135 I CB -0.325 37.661 38.000 -0.023 0.000 1.078 135 I HN 0.180 nan 8.210 nan 0.000 0.484 136 D N 1.446 121.838 120.400 -0.014 0.000 2.277 136 D HA -0.043 4.596 4.640 -0.001 0.000 0.208 136 D C 1.092 177.387 176.300 -0.008 0.000 0.962 136 D CA 0.227 54.222 54.000 -0.009 0.000 0.865 136 D CB -0.004 40.793 40.800 -0.005 0.000 0.939 136 D HN 0.326 nan 8.370 nan 0.000 0.510 137 L N 1.422 122.638 121.223 -0.012 0.000 2.426 137 L HA 0.078 4.417 4.340 -0.001 0.000 0.271 137 L C -1.209 175.655 176.870 -0.010 0.000 1.169 137 L CA -0.889 53.945 54.840 -0.009 0.000 0.836 137 L CB 0.887 42.938 42.059 -0.013 0.000 1.112 137 L HN -0.203 nan 8.230 nan 0.000 0.465 138 P HA -0.114 nan 4.420 nan 0.000 0.220 138 P C 1.319 178.614 177.300 -0.008 0.000 1.148 138 P CA 0.865 63.962 63.100 -0.005 0.000 0.803 138 P CB 0.324 32.023 31.700 -0.000 0.000 0.782 139 S N -1.803 113.892 115.700 -0.009 0.000 2.558 139 S HA 0.289 4.758 4.470 -0.001 0.000 0.217 139 S C 1.110 175.696 174.600 -0.024 0.000 0.975 139 S CA -0.183 58.009 58.200 -0.013 0.000 0.912 139 S CB -0.782 62.415 63.200 -0.005 0.000 0.776 139 S HN 0.107 nan 8.310 nan 0.000 0.526 140 A N 1.894 124.699 122.820 -0.025 0.000 2.540 140 A HA 0.356 4.675 4.320 -0.001 0.000 0.239 140 A C 0.202 177.768 177.584 -0.030 0.000 1.061 140 A CA 0.180 52.198 52.037 -0.032 0.000 0.758 140 A CB -0.054 18.928 19.000 -0.030 0.000 0.991 140 A HN 0.329 nan 8.150 nan 0.000 0.502 141 D N 2.456 122.836 120.400 -0.035 0.000 2.621 141 D HA 0.268 4.908 4.640 -0.001 0.000 0.274 141 D C 0.754 177.034 176.300 -0.032 0.000 1.215 141 D CA -0.379 53.602 54.000 -0.032 0.000 0.810 141 D CB 0.406 41.186 40.800 -0.033 0.000 1.248 141 D HN 0.090 nan 8.370 nan 0.000 0.517 142 V N 1.660 121.556 119.914 -0.030 0.000 2.380 142 V HA -0.252 3.868 4.120 -0.001 0.000 0.251 142 V C 1.628 177.705 176.094 -0.029 0.000 1.063 142 V CA 1.999 64.281 62.300 -0.030 0.000 1.055 142 V CB -0.291 31.515 31.823 -0.028 0.000 0.657 142 V HN 0.397 nan 8.190 nan 0.000 0.455 143 D N -0.590 119.794 120.400 -0.026 0.000 2.123 143 D HA -0.168 4.471 4.640 -0.001 0.000 0.196 143 D C 2.309 178.593 176.300 -0.027 0.000 0.992 143 D CA 1.302 55.286 54.000 -0.025 0.000 0.833 143 D CB -0.267 40.520 40.800 -0.023 0.000 0.954 143 D HN 0.309 nan 8.370 nan 0.000 0.455 144 R N 0.670 121.154 120.500 -0.027 0.000 2.088 144 R HA -0.138 4.202 4.340 -0.001 0.000 0.232 144 R C 2.071 178.354 176.300 -0.029 0.000 1.136 144 R CA 1.417 57.501 56.100 -0.027 0.000 0.926 144 R CB -0.630 29.654 30.300 -0.028 0.000 0.837 144 R HN 0.068 nan 8.270 nan 0.000 0.429 145 V N 1.957 121.851 119.914 -0.032 0.000 2.317 145 V HA -0.308 3.811 4.120 -0.001 0.000 0.251 145 V C 2.438 178.506 176.094 -0.042 0.000 1.065 145 V CA 2.265 64.544 62.300 -0.035 0.000 1.049 145 V CB -0.550 31.253 31.823 -0.035 0.000 0.651 145 V HN 0.424 nan 8.190 nan 0.000 0.450 146 K N -0.085 120.292 120.400 -0.039 0.000 2.063 146 K HA -0.202 4.117 4.320 -0.001 0.000 0.208 146 K C 2.266 178.840 176.600 -0.043 0.000 1.048 146 K CA 1.571 57.833 56.287 -0.041 0.000 0.928 146 K CB -0.243 32.237 32.500 -0.034 0.000 0.713 146 K HN 0.465 nan 8.250 nan 0.000 0.442 147 K N 0.824 121.203 120.400 -0.036 0.000 2.097 147 K HA -0.186 4.134 4.320 -0.001 0.000 0.206 147 K C 2.255 178.830 176.600 -0.040 0.000 1.049 147 K CA 1.430 57.697 56.287 -0.033 0.000 0.933 147 K CB -0.034 32.451 32.500 -0.024 0.000 0.717 147 K HN 0.245 nan 8.250 nan 0.000 0.442 148 Q N 0.629 120.402 119.800 -0.045 0.000 2.046 148 Q HA -0.110 4.229 4.340 -0.001 0.000 0.200 148 Q C 2.243 178.185 176.000 -0.098 0.000 0.975 148 Q CA 1.233 57.001 55.803 -0.058 0.000 0.836 148 Q CB -0.197 28.510 28.738 -0.051 0.000 0.896 148 Q HN 0.321 nan 8.270 nan 0.000 0.428 149 I N 0.980 121.486 120.570 -0.106 0.000 2.118 149 I HA -0.335 3.834 4.170 -0.001 0.000 0.241 149 I C 2.573 178.604 176.117 -0.143 0.000 1.070 149 I CA 1.541 62.751 61.300 -0.150 0.000 1.327 149 I CB -0.375 37.557 38.000 -0.114 0.000 1.034 149 I HN 0.334 nan 8.210 nan 0.000 0.405 150 E N 0.869 121.015 120.200 -0.089 0.000 2.072 150 E HA -0.216 4.133 4.350 -0.001 0.000 0.191 150 E C 2.036 178.601 176.600 -0.057 0.000 0.985 150 E CA 1.194 57.555 56.400 -0.065 0.000 0.801 150 E CB 0.114 29.789 29.700 -0.041 0.000 0.750 150 E HN 0.521 nan 8.360 nan 0.000 0.452 151 E N -0.223 119.944 120.200 -0.054 0.000 2.076 151 E HA -0.091 4.258 4.350 -0.001 0.000 0.190 151 E C 2.194 178.766 176.600 -0.047 0.000 0.979 151 E CA 1.044 57.422 56.400 -0.036 0.000 0.807 151 E CB 0.360 30.047 29.700 -0.022 0.000 0.761 151 E HN 0.166 nan 8.360 nan 0.000 0.454 152 V N 1.287 121.149 119.914 -0.087 0.000 2.426 152 V HA -0.104 4.016 4.120 -0.001 0.000 0.242 152 V C 2.163 178.147 176.094 -0.184 0.000 1.036 152 V CA 1.014 63.247 62.300 -0.112 0.000 1.044 152 V CB -0.206 31.540 31.823 -0.129 0.000 0.688 152 V HN 0.192 nan 8.190 nan 0.000 0.462 153 L N 0.392 121.414 121.223 -0.336 0.000 2.375 153 L HA 0.336 4.675 4.340 -0.001 0.000 0.215 153 L C 1.745 178.436 176.870 -0.300 0.000 1.108 153 L CA 0.961 55.406 54.840 -0.658 0.000 0.830 153 L CB -0.567 40.906 42.059 -0.976 0.000 0.959 153 L HN 0.568 nan 8.230 nan 0.000 0.457 154 G N 1.211 109.929 108.800 -0.136 0.000 2.160 154 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.244 154 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.244 154 G C -0.008 174.880 174.900 -0.019 0.000 1.022 154 G CA -0.041 45.043 45.100 -0.026 0.000 0.741 154 G HN 0.198 nan 8.290 nan 0.000 0.508 155 L N -0.215 120.968 121.223 -0.066 0.000 2.352 155 L HA 0.490 4.829 4.340 -0.001 0.000 0.269 155 L C 0.229 177.079 176.870 -0.033 0.000 1.034 155 L CA -1.098 53.721 54.840 -0.035 0.000 0.806 155 L CB 1.163 43.190 42.059 -0.052 0.000 1.244 155 L HN 0.075 nan 8.230 nan 0.000 0.447 156 D N 2.306 122.695 120.400 -0.019 0.000 2.344 156 D HA 0.099 4.738 4.640 -0.001 0.000 0.253 156 D C -1.730 174.554 176.300 -0.027 0.000 1.255 156 D CA -1.714 52.275 54.000 -0.019 0.000 0.894 156 D CB 1.481 42.274 40.800 -0.012 0.000 1.067 156 D HN 0.166 nan 8.370 nan 0.000 0.492 157 P HA -0.168 nan 4.420 nan 0.000 0.218 157 P C 0.920 178.203 177.300 -0.030 0.000 1.146 157 P CA 0.890 63.969 63.100 -0.034 0.000 0.820 157 P CB 0.383 32.064 31.700 -0.032 0.000 0.778 158 E N -0.283 119.902 120.200 -0.025 0.000 2.150 158 E HA -0.161 4.188 4.350 -0.001 0.000 0.193 158 E C 1.778 178.362 176.600 -0.026 0.000 0.985 158 E CA 0.939 57.325 56.400 -0.023 0.000 0.814 158 E CB -0.618 29.071 29.700 -0.019 0.000 0.752 158 E HN 0.438 nan 8.360 nan 0.000 0.466 159 E N 0.873 121.057 120.200 -0.027 0.000 2.268 159 E HA -0.017 4.332 4.350 -0.001 0.000 0.195 159 E C 0.749 177.327 176.600 -0.036 0.000 0.995 159 E CA 0.364 56.745 56.400 -0.030 0.000 0.836 159 E CB -0.238 29.447 29.700 -0.025 0.000 0.763 159 E HN 0.089 nan 8.360 nan 0.000 0.491 160 A N 1.900 124.698 122.820 -0.036 0.000 2.546 160 A HA 0.116 4.435 4.320 -0.001 0.000 0.243 160 A C 0.308 177.867 177.584 -0.041 0.000 1.063 160 A CA 0.259 52.273 52.037 -0.038 0.000 0.757 160 A CB -0.253 18.724 19.000 -0.038 0.000 0.991 160 A HN 0.112 nan 8.150 nan 0.000 0.503 161 I N 3.807 124.349 120.570 -0.047 0.000 2.312 161 I HA 0.182 4.351 4.170 -0.001 0.000 0.290 161 I C -0.217 175.872 176.117 -0.047 0.000 1.008 161 I CA -0.242 61.026 61.300 -0.054 0.000 1.226 161 I CB 1.021 38.977 38.000 -0.073 0.000 1.371 161 I HN 0.515 nan 8.210 nan 0.000 0.468 162 L N 6.525 127.723 121.223 -0.042 0.000 2.380 162 L HA 0.685 5.024 4.340 -0.001 0.000 0.273 162 L C 0.377 177.224 176.870 -0.039 0.000 1.138 162 L CA -0.054 54.764 54.840 -0.036 0.000 0.832 162 L CB 0.700 42.741 42.059 -0.031 0.000 1.124 162 L HN 0.744 nan 8.230 nan 0.000 0.454 163 A N 2.351 125.150 122.820 -0.035 0.000 2.564 163 A HA 0.699 5.018 4.320 -0.001 0.000 0.291 163 A C -1.027 176.542 177.584 -0.025 0.000 1.102 163 A CA -0.493 51.523 52.037 -0.035 0.000 0.660 163 A CB 1.972 20.944 19.000 -0.047 0.000 1.283 163 A HN 0.448 nan 8.150 nan 0.000 0.430 164 S N -0.658 115.030 115.700 -0.021 0.000 2.673 164 S HA 0.523 4.992 4.470 -0.001 0.000 0.256 164 S C 0.511 175.107 174.600 -0.006 0.000 1.141 164 S CA 0.389 58.582 58.200 -0.012 0.000 1.109 164 S CB 0.783 63.978 63.200 -0.007 0.000 1.101 164 S HN 2.034 nan 8.310 nan 0.000 0.471 165 A N 4.244 127.062 122.820 -0.003 0.000 2.119 165 A HA 0.047 4.366 4.320 -0.001 0.000 0.217 165 A C 1.907 179.499 177.584 0.012 0.000 1.153 165 A CA 1.126 53.165 52.037 0.004 0.000 0.692 165 A CB -0.269 18.736 19.000 0.009 0.000 0.799 165 A HN 0.748 nan 8.150 nan 0.000 0.458 166 K N -0.117 120.289 120.400 0.011 0.000 2.296 166 K HA -0.037 4.282 4.320 -0.001 0.000 0.200 166 K C 0.292 176.902 176.600 0.016 0.000 1.048 166 K CA 1.289 57.584 56.287 0.014 0.000 0.966 166 K CB 0.003 32.509 32.500 0.010 0.000 0.754 166 K HN 0.494 nan 8.250 nan 0.000 0.466 167 E N -0.687 119.521 120.200 0.014 0.000 3.105 167 E HA 0.147 4.496 4.350 -0.001 0.000 0.198 167 E C -0.080 176.535 176.600 0.025 0.000 0.976 167 E CA 0.041 56.452 56.400 0.018 0.000 1.219 167 E CB 1.154 30.861 29.700 0.013 0.000 1.081 167 E HN 0.447 nan 8.360 nan 0.000 0.464 168 G N 1.620 110.438 108.800 0.030 0.000 2.320 168 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.291 168 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.291 168 G C 0.343 175.258 174.900 0.025 0.000 0.994 168 G CA 0.488 45.614 45.100 0.043 0.000 0.760 168 G HN 0.387 nan 8.290 nan 0.000 0.514 169 I N 0.089 120.663 120.570 0.006 0.000 2.396 169 I HA 0.421 4.590 4.170 -0.001 0.000 0.289 169 I C 1.586 177.682 176.117 -0.035 0.000 1.056 169 I CA 0.990 62.287 61.300 -0.006 0.000 1.365 169 I CB 0.837 38.834 38.000 -0.005 0.000 1.407 169 I HN 0.467 nan 8.210 nan 0.000 0.509 170 G N 5.170 113.939 108.800 -0.052 0.000 2.176 170 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.253 170 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.253 170 G C 0.807 175.612 174.900 -0.158 0.000 0.979 170 G CA -0.091 44.956 45.100 -0.088 0.000 0.641 170 G HN 0.492 nan 8.290 nan 0.000 0.530 171 I N 1.306 121.756 120.570 -0.200 0.000 2.099 171 I HA -0.113 4.057 4.170 -0.001 0.000 0.239 171 I C 2.464 178.247 176.117 -0.556 0.000 1.066 171 I CA 2.282 63.371 61.300 -0.352 0.000 1.324 171 I CB -1.300 36.471 38.000 -0.383 0.000 1.037 171 I HN 0.556 nan 8.210 nan 0.000 0.401 172 E N 0.963 120.755 120.200 -0.680 0.000 2.118 172 E HA -0.286 4.063 4.350 -0.001 0.000 0.195 172 E C 2.152 178.573 176.600 -0.298 0.000 0.992 172 E CA 1.551 57.612 56.400 -0.565 0.000 0.804 172 E CB -0.082 29.493 29.700 -0.208 0.000 0.741 172 E HN 0.515 nan 8.360 nan 0.000 0.458 173 E N -0.196 119.875 120.200 -0.216 0.000 2.153 173 E HA -0.183 4.166 4.350 -0.001 0.000 0.194 173 E C 1.897 178.379 176.600 -0.197 0.000 0.988 173 E CA 0.974 57.283 56.400 -0.151 0.000 0.811 173 E CB 0.096 29.731 29.700 -0.110 0.000 0.746 173 E HN 0.318 nan 8.360 nan 0.000 0.466 174 I N 0.832 121.246 120.570 -0.260 0.000 2.193 174 I HA -0.242 3.928 4.170 -0.001 0.000 0.240 174 I C 2.415 178.303 176.117 -0.383 0.000 1.084 174 I CA 1.048 62.176 61.300 -0.286 0.000 1.365 174 I CB -1.187 36.643 38.000 -0.284 0.000 1.064 174 I HN 0.245 nan 8.210 nan 0.000 0.410 175 L N 0.331 121.249 121.223 -0.507 0.000 2.127 175 L HA -0.203 4.136 4.340 -0.001 0.000 0.211 175 L C 2.593 179.174 176.870 -0.481 0.000 1.089 175 L CA 1.182 55.603 54.840 -0.699 0.000 0.757 175 L CB -0.488 40.830 42.059 -1.235 0.000 0.899 175 L HN 0.266 nan 8.230 nan 0.000 0.434 176 E N 0.023 120.060 120.200 -0.271 0.000 2.076 176 E HA -0.121 4.229 4.350 -0.001 0.000 0.190 176 E C 2.365 178.875 176.600 -0.149 0.000 0.979 176 E CA 1.211 57.553 56.400 -0.098 0.000 0.807 176 E CB -0.163 29.519 29.700 -0.031 0.000 0.761 176 E HN 0.449 nan 8.360 nan 0.000 0.454 177 A N 1.459 124.173 122.820 -0.178 0.000 1.908 177 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 177 A C 2.318 179.784 177.584 -0.197 0.000 1.181 177 A CA 1.178 53.117 52.037 -0.162 0.000 0.627 177 A CB -0.697 18.208 19.000 -0.157 0.000 0.818 177 A HN 0.165 nan 8.150 nan 0.000 0.445 178 I N -0.739 119.660 120.570 -0.286 0.000 2.226 178 I HA -0.208 3.961 4.170 -0.001 0.000 0.245 178 I C 2.354 178.307 176.117 -0.274 0.000 1.100 178 I CA 1.143 62.243 61.300 -0.333 0.000 1.374 178 I CB -0.260 37.404 38.000 -0.559 0.000 1.057 178 I HN 0.167 nan 8.210 nan 0.000 0.413 179 V N 1.156 120.889 119.914 -0.302 0.000 2.307 179 V HA -0.222 3.897 4.120 -0.001 0.000 0.245 179 V C 2.048 177.969 176.094 -0.287 0.000 1.045 179 V CA 1.815 63.869 62.300 -0.410 0.000 1.024 179 V CB -0.682 30.812 31.823 -0.547 0.000 0.651 179 V HN 0.453 nan 8.190 nan 0.000 0.449 180 N N 0.003 118.590 118.700 -0.188 0.000 2.300 180 N HA -0.033 4.706 4.740 -0.001 0.000 0.179 180 N C 1.929 177.389 175.510 -0.084 0.000 1.016 180 N CA 0.972 53.955 53.050 -0.112 0.000 0.876 180 N CB -0.108 38.333 38.487 -0.077 0.000 0.979 180 N HN 0.506 nan 8.380 nan 0.000 0.432 181 R N 0.125 120.568 120.500 -0.096 0.000 2.105 181 R HA 0.290 4.629 4.340 -0.001 0.000 0.214 181 R C 0.605 176.871 176.300 -0.056 0.000 1.091 181 R CA 0.172 56.231 56.100 -0.069 0.000 1.007 181 R CB 0.340 30.597 30.300 -0.072 0.000 0.912 181 R HN 0.088 nan 8.270 nan 0.000 0.450 182 I N 4.899 125.425 120.570 -0.073 0.000 2.416 182 I HA 0.107 4.276 4.170 -0.001 0.000 0.288 182 I C -1.949 174.156 176.117 -0.020 0.000 1.051 182 I CA -2.164 59.112 61.300 -0.040 0.000 1.375 182 I CB 0.944 38.919 38.000 -0.041 0.000 1.407 182 I HN -0.104 nan 8.210 nan 0.000 0.516 183 P HA 0.188 nan 4.420 nan 0.000 0.272 183 P C -2.622 174.705 177.300 0.045 0.000 1.223 183 P CA -1.423 61.692 63.100 0.025 0.000 0.784 183 P CB 0.110 31.828 31.700 0.031 0.000 0.923 184 P HA 0.229 nan 4.420 nan 0.000 0.276 184 P C -2.360 174.991 177.300 0.086 0.000 1.244 184 P CA -2.031 61.120 63.100 0.084 0.000 0.801 184 P CB -0.777 30.983 31.700 0.100 0.000 1.006 185 P HA 0.101 nan 4.420 nan 0.000 0.267 185 P C -0.702 176.660 177.300 0.104 0.000 1.200 185 P CA 0.311 63.471 63.100 0.101 0.000 0.772 185 P CB 0.455 32.207 31.700 0.087 0.000 0.855 186 K N 1.619 122.094 120.400 0.125 0.000 2.507 186 K HA 0.697 5.016 4.320 -0.001 0.000 0.253 186 K C 0.026 176.707 176.600 0.136 0.000 0.969 186 K CA -0.474 55.879 56.287 0.110 0.000 0.908 186 K CB 1.710 34.265 32.500 0.091 0.000 1.127 186 K HN 0.703 nan 8.250 nan 0.000 0.437 187 G N 1.057 109.927 108.800 0.117 0.000 2.646 187 G HA2 0.228 4.188 3.960 -0.001 0.000 0.291 187 G HA3 0.228 4.188 3.960 -0.001 0.000 0.291 187 G C -1.957 172.997 174.900 0.091 0.000 1.445 187 G CA -0.472 44.703 45.100 0.126 0.000 0.814 187 G HN 0.382 nan 8.290 nan 0.000 0.495 188 D N 0.656 121.107 120.400 0.085 0.000 2.414 188 D HA 0.428 5.068 4.640 -0.001 0.000 0.232 188 D C -1.308 175.033 176.300 0.068 0.000 1.070 188 D CA -2.225 51.815 54.000 0.068 0.000 0.839 188 D CB 2.678 43.513 40.800 0.058 0.000 1.079 188 D HN 0.053 nan 8.370 nan 0.000 0.521 189 P HA -0.102 nan 4.420 nan 0.000 0.230 189 P C 0.748 178.086 177.300 0.064 0.000 1.158 189 P CA 0.669 63.806 63.100 0.062 0.000 0.769 189 P CB 0.672 32.405 31.700 0.055 0.000 0.807 190 Q N -0.247 119.588 119.800 0.057 0.000 2.402 190 Q HA 0.119 4.458 4.340 -0.001 0.000 0.206 190 Q C 0.979 177.016 176.000 0.060 0.000 0.919 190 Q CA 0.504 56.339 55.803 0.054 0.000 0.923 190 Q CB 0.065 28.828 28.738 0.042 0.000 1.048 190 Q HN 0.401 nan 8.270 nan 0.000 0.515 191 K N 1.271 121.709 120.400 0.063 0.000 2.120 191 K HA 0.204 4.524 4.320 -0.001 0.000 0.245 191 K C -2.343 174.306 176.600 0.081 0.000 1.024 191 K CA -1.732 54.593 56.287 0.064 0.000 0.906 191 K CB -0.163 32.373 32.500 0.060 0.000 1.051 191 K HN -0.147 nan 8.250 nan 0.000 0.491 192 P HA -0.061 nan 4.420 nan 0.000 0.265 192 P C -0.329 177.012 177.300 0.068 0.000 1.193 192 P CA 0.086 63.248 63.100 0.103 0.000 0.765 192 P CB 0.406 32.153 31.700 0.079 0.000 0.823 193 L N 3.574 124.812 121.223 0.025 0.000 2.543 193 L HA -0.009 4.331 4.340 -0.001 0.000 0.285 193 L C 0.599 177.442 176.870 -0.044 0.000 1.236 193 L CA 0.862 55.635 54.840 -0.111 0.000 0.871 193 L CB 0.046 41.794 42.059 -0.519 0.000 1.121 193 L HN 0.458 nan 8.230 nan 0.000 0.501 194 K N 4.053 124.459 120.400 0.010 0.000 2.762 194 K HA 0.482 4.801 4.320 -0.001 0.000 0.272 194 K C -1.596 175.094 176.600 0.149 0.000 1.093 194 K CA -0.402 55.934 56.287 0.082 0.000 1.048 194 K CB 1.167 33.739 32.500 0.120 0.000 1.304 194 K HN 0.628 nan 8.250 nan 0.000 0.511 195 A N 3.719 126.591 122.820 0.087 0.000 2.318 195 A HA 0.573 4.892 4.320 -0.001 0.000 0.317 195 A C -1.326 176.330 177.584 0.121 0.000 1.159 195 A CA -0.758 51.321 52.037 0.069 0.000 0.799 195 A CB 1.015 20.005 19.000 -0.017 0.000 1.194 195 A HN 0.628 nan 8.150 nan 0.000 0.479 196 L N 3.670 125.002 121.223 0.181 0.000 2.290 196 L HA 0.537 4.876 4.340 -0.001 0.000 0.284 196 L C -0.482 176.493 176.870 0.176 0.000 1.078 196 L CA -0.058 54.926 54.840 0.239 0.000 0.815 196 L CB 0.404 42.706 42.059 0.405 0.000 1.162 196 L HN 0.579 nan 8.230 nan 0.000 0.435 197 I N 6.541 127.183 120.570 0.120 0.000 2.352 197 I HA 0.111 4.281 4.170 -0.001 0.000 0.290 197 I C 0.208 176.385 176.117 0.100 0.000 1.036 197 I CA 0.023 61.338 61.300 0.024 0.000 1.336 197 I CB 0.397 38.402 38.000 0.007 0.000 1.407 197 I HN 0.800 nan 8.210 nan 0.000 0.497 198 F N 2.641 122.633 119.950 0.070 0.000 2.728 198 F HA 0.512 5.037 4.527 -0.002 0.000 0.314 198 F C 0.087 175.919 175.800 0.052 0.000 1.094 198 F CA -0.375 57.645 58.000 0.035 0.000 1.217 198 F CB 0.265 39.263 39.000 -0.003 0.000 1.056 198 F HN 0.282 nan 8.300 nan 0.000 0.577 199 D N -0.246 119.969 120.400 -0.308 0.000 2.713 199 D HA 0.545 5.185 4.640 -0.001 0.000 0.306 199 D C -1.297 175.034 176.300 0.051 0.000 1.299 199 D CA 0.335 54.311 54.000 -0.040 0.000 0.823 199 D CB 2.037 42.840 40.800 0.006 0.000 1.353 199 D HN 0.186 nan 8.370 nan 0.000 0.447 200 S N -0.560 115.265 115.700 0.209 0.000 2.656 200 S HA 0.667 5.136 4.470 -0.001 0.000 0.265 200 S C -1.745 172.994 174.600 0.232 0.000 1.110 200 S CA -0.840 57.420 58.200 0.100 0.000 0.821 200 S CB 1.220 64.393 63.200 -0.045 0.000 1.099 200 S HN 0.986 nan 8.310 nan 0.000 0.471 201 Y N -1.362 118.892 120.300 -0.076 0.000 2.741 201 Y HA 0.737 5.286 4.550 -0.001 0.000 0.339 201 Y C -2.173 173.693 175.900 -0.057 0.000 1.226 201 Y CA -1.567 56.516 58.100 -0.029 0.000 1.072 201 Y CB 0.451 38.920 38.460 0.015 0.000 1.331 201 Y HN 0.948 nan 8.280 nan 0.000 0.453 202 Y N 2.881 123.032 120.300 -0.248 0.000 2.335 202 Y HA 0.394 4.943 4.550 -0.001 0.000 0.339 202 Y C -0.665 175.036 175.900 -0.331 0.000 0.987 202 Y CA -0.758 57.126 58.100 -0.361 0.000 1.140 202 Y CB 0.962 39.313 38.460 -0.182 0.000 1.173 202 Y HN 0.758 nan 8.280 nan 0.000 0.486 203 D N 9.037 128.750 120.400 -1.145 0.000 2.373 203 D HA 0.192 4.831 4.640 -0.001 0.000 0.227 203 D C -1.822 173.968 176.300 -0.850 0.000 1.091 203 D CA -2.049 51.546 54.000 -0.675 0.000 0.840 203 D CB 2.114 42.570 40.800 -0.574 0.000 1.060 203 D HN 0.381 nan 8.370 nan 0.000 0.502 204 P HA -0.191 nan 4.420 nan 0.000 0.218 204 P C 0.620 177.473 177.300 -0.744 0.000 1.146 204 P CA 1.254 64.023 63.100 -0.551 0.000 0.820 204 P CB 0.209 31.574 31.700 -0.559 0.000 0.778 205 Y N -0.710 119.477 120.300 -0.188 0.000 2.464 205 Y HA 0.242 4.792 4.550 -0.001 0.000 0.288 205 Y C 2.743 178.532 175.900 -0.184 0.000 1.133 205 Y CA 0.350 58.367 58.100 -0.138 0.000 1.223 205 Y CB -0.523 37.883 38.460 -0.089 0.000 1.187 205 Y HN -0.237 nan 8.280 nan 0.000 0.539 206 R N 0.203 120.610 120.500 -0.156 0.000 2.300 206 R HA 0.278 4.617 4.340 -0.001 0.000 0.199 206 R C 0.781 176.874 176.300 -0.344 0.000 0.920 206 R CA 0.578 56.550 56.100 -0.213 0.000 1.046 206 R CB 0.120 30.285 30.300 -0.226 0.000 0.984 206 R HN 0.449 nan 8.270 nan 0.000 0.493 207 G N 0.511 108.981 108.800 -0.550 0.000 2.632 207 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.224 207 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.224 207 G C -0.591 173.852 174.900 -0.762 0.000 1.341 207 G CA -0.523 44.208 45.100 -0.614 0.000 0.880 207 G HN 0.359 nan 8.290 nan 0.000 0.566 208 A N -0.736 121.862 122.820 -0.369 0.000 2.491 208 A HA 0.556 4.876 4.320 -0.001 0.000 0.261 208 A C 0.456 177.766 177.584 -0.457 0.000 1.101 208 A CA 0.675 52.534 52.037 -0.297 0.000 0.772 208 A CB 0.263 19.194 19.000 -0.116 0.000 1.043 208 A HN 1.831 nan 8.150 nan 0.000 0.501 209 V N 2.439 121.963 119.914 -0.650 0.000 2.459 209 V HA 0.614 4.733 4.120 -0.001 0.000 0.295 209 V C 0.569 176.328 176.094 -0.558 0.000 1.029 209 V CA -0.231 61.672 62.300 -0.661 0.000 0.874 209 V CB 1.489 32.734 31.823 -0.963 0.000 0.985 209 V HN 1.096 nan 8.190 nan 0.000 0.438 210 A N 4.781 127.337 122.820 -0.440 0.000 2.260 210 A HA 0.803 5.122 4.320 -0.001 0.000 0.314 210 A C -0.877 176.456 177.584 -0.419 0.000 1.257 210 A CA -0.315 51.504 52.037 -0.363 0.000 0.871 210 A CB 0.172 19.026 19.000 -0.244 0.000 1.166 210 A HN 0.593 nan 8.150 nan 0.000 0.522 211 F N 2.507 122.263 119.950 -0.324 0.000 2.424 211 F HA 0.455 4.980 4.527 -0.002 0.000 0.356 211 F C 0.677 175.998 175.800 -0.799 0.000 1.110 211 F CA -0.063 57.633 58.000 -0.507 0.000 1.161 211 F CB 1.617 40.211 39.000 -0.678 0.000 1.115 211 F HN 0.506 nan 8.300 nan 0.000 0.507 212 V N 1.487 121.281 119.914 -0.200 0.000 3.102 212 V HA 0.823 4.942 4.120 -0.001 0.000 0.312 212 V C -1.026 175.211 176.094 0.238 0.000 1.135 212 V CA -1.206 61.078 62.300 -0.027 0.000 1.022 212 V CB 2.112 33.904 31.823 -0.051 0.000 1.056 212 V HN 0.641 nan 8.190 nan 0.000 0.436 213 R N 2.721 123.321 120.500 0.167 0.000 2.437 213 R HA 0.645 4.984 4.340 -0.001 0.000 0.310 213 R C -1.141 174.997 176.300 -0.271 0.000 0.955 213 R CA -0.890 55.149 56.100 -0.102 0.000 0.851 213 R CB 1.051 31.190 30.300 -0.269 0.000 1.161 213 R HN 0.782 nan 8.270 nan 0.000 0.446 214 I N 7.044 127.460 120.570 -0.256 0.000 2.312 214 I HA 0.170 4.339 4.170 -0.001 0.000 0.291 214 I C 0.391 176.355 176.117 -0.255 0.000 1.031 214 I CA -0.183 61.010 61.300 -0.178 0.000 1.293 214 I CB 0.211 38.164 38.000 -0.080 0.000 1.403 214 I HN 0.673 nan 8.210 nan 0.000 0.484 215 F N 3.014 122.980 119.950 0.027 0.000 2.208 215 F HA 0.098 4.624 4.527 -0.001 0.000 0.282 215 F C 1.024 176.840 175.800 0.027 0.000 1.071 215 F CA 0.875 58.892 58.000 0.029 0.000 1.228 215 F CB 0.115 39.131 39.000 0.027 0.000 1.088 215 F HN 0.351 nan 8.300 nan 0.000 0.512 216 D N -1.044 119.484 120.400 0.212 0.000 2.350 216 D HA 0.482 5.121 4.640 -0.001 0.000 0.238 216 D C 0.527 176.871 176.300 0.075 0.000 0.989 216 D CA 0.680 54.755 54.000 0.124 0.000 0.921 216 D CB 1.589 42.454 40.800 0.108 0.000 1.297 216 D HN 0.337 nan 8.370 nan 0.000 0.490 217 G N 1.175 110.018 108.800 0.071 0.000 2.645 217 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.239 217 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.239 217 G C -0.678 174.259 174.900 0.061 0.000 1.331 217 G CA -0.324 44.818 45.100 0.071 0.000 0.890 217 G HN 0.566 nan 8.290 nan 0.000 0.572 218 E N -2.081 118.170 120.200 0.085 0.000 2.433 218 E HA 0.639 4.988 4.350 -0.001 0.000 0.278 218 E C -1.239 175.419 176.600 0.097 0.000 0.976 218 E CA -0.741 55.705 56.400 0.076 0.000 0.793 218 E CB 2.893 32.644 29.700 0.085 0.000 1.311 218 E HN 1.077 nan 8.360 nan 0.000 0.460 219 V N 1.369 121.322 119.914 0.065 0.000 2.888 219 V HA 0.663 4.783 4.120 -0.001 0.000 0.309 219 V C -1.898 174.231 176.094 0.058 0.000 1.114 219 V CA -0.393 61.953 62.300 0.077 0.000 0.940 219 V CB 1.811 33.626 31.823 -0.013 0.000 1.021 219 V HN 0.759 nan 8.190 nan 0.000 0.426 220 K N 4.580 125.024 120.400 0.072 0.000 2.556 220 K HA 0.711 5.030 4.320 -0.001 0.000 0.274 220 K C -3.226 173.394 176.600 0.034 0.000 0.966 220 K CA -2.081 54.231 56.287 0.041 0.000 0.865 220 K CB 1.854 34.383 32.500 0.047 0.000 1.444 220 K HN 0.343 nan 8.250 nan 0.000 0.433 221 P HA -0.047 nan 4.420 nan 0.000 0.264 221 P C 0.624 177.938 177.300 0.023 0.000 1.179 221 P CA 1.864 64.973 63.100 0.016 0.000 0.763 221 P CB 0.468 32.175 31.700 0.012 0.000 0.806 222 G N 1.712 110.527 108.800 0.025 0.000 2.258 222 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.233 222 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.233 222 G C 0.002 174.919 174.900 0.029 0.000 1.006 222 G CA -0.253 44.861 45.100 0.023 0.000 0.620 222 G HN 0.518 nan 8.290 nan 0.000 0.511 223 D N 1.232 121.660 120.400 0.047 0.000 2.399 223 D HA 0.409 5.048 4.640 -0.001 0.000 0.241 223 D C 0.520 176.873 176.300 0.089 0.000 1.133 223 D CA 0.394 54.435 54.000 0.069 0.000 0.890 223 D CB 0.710 41.606 40.800 0.160 0.000 1.201 223 D HN 0.304 nan 8.370 nan 0.000 0.432 224 K N 2.040 122.495 120.400 0.091 0.000 2.292 224 K HA 0.335 4.654 4.320 -0.001 0.000 0.270 224 K C 0.238 176.929 176.600 0.152 0.000 1.062 224 K CA -0.431 55.911 56.287 0.093 0.000 0.916 224 K CB 0.854 33.380 32.500 0.044 0.000 1.166 224 K HN 0.412 nan 8.250 nan 0.000 0.458 225 I N -0.574 120.085 120.570 0.150 0.000 3.078 225 I HA 0.524 4.693 4.170 -0.001 0.000 0.318 225 I C -0.190 175.998 176.117 0.117 0.000 1.016 225 I CA -0.935 60.445 61.300 0.133 0.000 1.130 225 I CB 1.190 39.243 38.000 0.089 0.000 1.397 225 I HN 0.415 nan 8.210 nan 0.000 0.570 226 M N 3.223 122.875 119.600 0.086 0.000 2.371 226 M HA 0.376 4.855 4.480 -0.001 0.000 0.287 226 M C -2.188 174.143 176.300 0.052 0.000 1.149 226 M CA -0.648 54.692 55.300 0.066 0.000 0.929 226 M CB 2.430 35.048 32.600 0.031 0.000 1.683 226 M HN 0.537 nan 8.290 nan 0.000 0.470 227 L N 5.892 127.156 121.223 0.067 0.000 2.260 227 L HA 0.295 4.634 4.340 -0.001 0.000 0.289 227 L C 1.233 178.079 176.870 -0.040 0.000 1.057 227 L CA 0.191 55.040 54.840 0.014 0.000 0.811 227 L CB 1.242 43.332 42.059 0.052 0.000 1.184 227 L HN 0.949 nan 8.230 nan 0.000 0.429 228 M N 1.454 121.010 119.600 -0.074 0.000 2.279 228 M HA -0.179 4.300 4.480 -0.001 0.000 0.264 228 M C 2.088 178.314 176.300 -0.124 0.000 1.062 228 M CA 1.543 56.794 55.300 -0.082 0.000 1.099 228 M CB -0.154 32.405 32.600 -0.068 0.000 1.394 228 M HN 0.779 nan 8.290 nan 0.000 0.426 229 S N -0.755 114.803 115.700 -0.237 0.000 2.436 229 S HA -0.071 4.399 4.470 -0.001 0.000 0.228 229 S C 1.810 176.345 174.600 -0.108 0.000 1.014 229 S CA 1.365 59.406 58.200 -0.265 0.000 0.950 229 S CB -0.634 62.164 63.200 -0.670 0.000 0.784 229 S HN 0.585 nan 8.310 nan 0.000 0.504 230 T N -3.847 110.659 114.554 -0.081 0.000 2.978 230 T HA 0.501 4.851 4.350 -0.001 0.000 0.248 230 T C 1.623 176.309 174.700 -0.024 0.000 1.018 230 T CA 0.715 62.799 62.100 -0.027 0.000 1.026 230 T CB -0.238 68.630 68.868 0.000 0.000 1.032 230 T HN 1.237 nan 8.240 nan 0.000 0.485 231 G N 1.385 110.168 108.800 -0.029 0.000 2.160 231 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.251 231 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.251 231 G C -0.080 174.792 174.900 -0.047 0.000 1.008 231 G CA 0.283 45.365 45.100 -0.029 0.000 0.724 231 G HN 0.766 nan 8.290 nan 0.000 0.514 232 K N 0.914 121.287 120.400 -0.046 0.000 2.174 232 K HA 0.606 4.925 4.320 -0.001 0.000 0.275 232 K C 0.481 176.949 176.600 -0.219 0.000 1.015 232 K CA -0.176 56.029 56.287 -0.138 0.000 0.933 232 K CB 0.514 32.972 32.500 -0.071 0.000 1.025 232 K HN 0.448 nan 8.250 nan 0.000 0.463 233 E N 2.191 122.140 120.200 -0.417 0.000 2.227 233 E HA 0.406 4.755 4.350 -0.001 0.000 0.268 233 E C -1.041 175.162 176.600 -0.661 0.000 0.907 233 E CA -0.834 55.360 56.400 -0.342 0.000 0.786 233 E CB 1.505 31.109 29.700 -0.161 0.000 1.191 233 E HN 0.394 nan 8.360 nan 0.000 0.411 234 Y N -0.248 120.047 120.300 -0.008 0.000 2.677 234 Y HA 0.315 4.863 4.550 -0.003 0.000 0.334 234 Y C -0.532 175.367 175.900 -0.002 0.000 1.154 234 Y CA -1.026 57.068 58.100 -0.011 0.000 1.070 234 Y CB 1.826 40.273 38.460 -0.022 0.000 1.294 234 Y HN 0.412 nan 8.280 nan 0.000 0.475 235 E N 1.081 121.385 120.200 0.173 0.000 2.155 235 E HA 0.508 4.857 4.350 -0.001 0.000 0.264 235 E C -1.490 175.157 176.600 0.078 0.000 0.886 235 E CA -0.668 55.790 56.400 0.096 0.000 0.752 235 E CB 1.437 31.171 29.700 0.058 0.000 1.133 235 E HN 0.480 nan 8.360 nan 0.000 0.414 236 V N 4.114 124.064 119.914 0.061 0.000 2.617 236 V HA -0.059 4.060 4.120 -0.001 0.000 0.304 236 V C 1.462 177.566 176.094 0.016 0.000 1.040 236 V CA 1.222 63.537 62.300 0.026 0.000 1.149 236 V CB 0.894 32.730 31.823 0.022 0.000 0.914 236 V HN 0.949 nan 8.190 nan 0.000 0.487 237 T N 0.578 115.133 114.554 0.001 0.000 3.000 237 T HA 0.255 4.604 4.350 -0.001 0.000 0.248 237 T C 0.351 175.054 174.700 0.004 0.000 1.034 237 T CA 0.276 62.378 62.100 0.004 0.000 1.060 237 T CB 0.482 69.348 68.868 -0.004 0.000 0.983 237 T HN 0.712 nan 8.240 nan 0.000 0.482 238 E N 0.264 120.463 120.200 -0.002 0.000 2.380 238 E HA 0.491 4.840 4.350 -0.001 0.000 0.281 238 E C -1.918 174.635 176.600 -0.078 0.000 0.999 238 E CA -0.962 55.438 56.400 -0.000 0.000 0.800 238 E CB 2.576 32.318 29.700 0.070 0.000 1.228 238 E HN 0.256 nan 8.360 nan 0.000 0.436 239 V N -0.075 119.704 119.914 -0.224 0.000 3.049 239 V HA 1.050 5.169 4.120 -0.001 0.000 0.309 239 V C -0.122 175.473 176.094 -0.833 0.000 1.148 239 V CA 0.467 62.463 62.300 -0.507 0.000 0.990 239 V CB 1.253 32.924 31.823 -0.254 0.000 1.039 239 V HN 1.024 nan 8.190 nan 0.000 0.430 240 G N 1.015 108.993 108.800 -1.369 0.000 2.399 240 G HA2 0.856 4.815 3.960 -0.001 0.000 0.256 240 G HA3 0.856 4.815 3.960 -0.001 0.000 0.256 240 G C -0.747 173.340 174.900 -1.355 0.000 1.236 240 G CA 0.152 44.244 45.100 -1.679 0.000 0.914 240 G HN 2.313 nan 8.290 nan 0.000 0.482 241 A N -1.284 120.957 122.820 -0.966 0.000 2.586 241 A HA 0.778 5.097 4.320 -0.001 0.000 0.290 241 A C -1.064 176.612 177.584 0.153 0.000 1.086 241 A CA -0.409 51.580 52.037 -0.080 0.000 0.665 241 A CB 1.004 20.070 19.000 0.108 0.000 1.279 241 A HN 0.705 nan 8.150 nan 0.000 0.423 242 Q N 0.683 120.614 119.800 0.217 0.000 2.288 242 Q HA 0.440 4.779 4.340 -0.001 0.000 0.258 242 Q C 0.230 176.326 176.000 0.161 0.000 0.957 242 Q CA 0.537 56.434 55.803 0.158 0.000 0.919 242 Q CB 0.846 29.641 28.738 0.095 0.000 1.185 242 Q HN 0.789 nan 8.270 nan 0.000 0.408 243 T N -2.152 112.497 114.554 0.158 0.000 3.380 243 T HA 0.235 4.584 4.350 -0.001 0.000 0.289 243 T C -1.577 173.199 174.700 0.126 0.000 1.012 243 T CA -0.690 61.511 62.100 0.169 0.000 0.944 243 T CB 0.207 69.220 68.868 0.243 0.000 1.172 243 T HN 0.464 nan 8.240 nan 0.000 0.502 244 P HA 0.223 nan 4.420 nan 0.000 0.245 244 P C 0.123 177.456 177.300 0.056 0.000 1.206 244 P CA -0.064 63.073 63.100 0.063 0.000 0.781 244 P CB 0.331 32.053 31.700 0.036 0.000 0.994 245 K N 0.412 120.852 120.400 0.066 0.000 2.258 245 K HA 0.238 4.557 4.320 -0.001 0.000 0.264 245 K C 0.728 177.372 176.600 0.074 0.000 1.007 245 K CA -0.580 55.738 56.287 0.052 0.000 0.941 245 K CB 0.357 32.888 32.500 0.053 0.000 0.966 245 K HN -0.085 nan 8.250 nan 0.000 0.480 246 M N 2.915 122.540 119.600 0.042 0.000 2.720 246 M HA -0.013 4.466 4.480 -0.001 0.000 0.328 246 M C -0.420 175.945 176.300 0.108 0.000 1.682 246 M CA 0.923 56.254 55.300 0.052 0.000 1.381 246 M CB -0.997 31.557 32.600 -0.075 0.000 1.868 246 M HN 0.522 nan 8.290 nan 0.000 0.459 247 T N 4.563 119.205 114.554 0.146 0.000 2.771 247 T HA 0.391 4.741 4.350 -0.001 0.000 0.281 247 T C 0.267 174.932 174.700 -0.058 0.000 0.982 247 T CA -0.942 61.230 62.100 0.121 0.000 0.978 247 T CB 1.249 70.269 68.868 0.254 0.000 0.930 247 T HN 0.509 nan 8.240 nan 0.000 0.447 248 K N 2.542 122.955 120.400 0.022 0.000 2.172 248 K HA 0.595 4.914 4.320 -0.001 0.000 0.276 248 K C -1.083 175.550 176.600 0.055 0.000 1.013 248 K CA -0.585 55.645 56.287 -0.095 0.000 0.913 248 K CB 0.617 33.140 32.500 0.038 0.000 1.055 248 K HN 0.209 nan 8.250 nan 0.000 0.461 249 F N 1.101 121.026 119.950 -0.041 0.000 2.535 249 F HA 0.190 4.716 4.527 -0.001 0.000 0.367 249 F C 1.103 176.888 175.800 -0.025 0.000 1.096 249 F CA -1.578 56.413 58.000 -0.016 0.000 1.088 249 F CB 0.452 39.440 39.000 -0.020 0.000 1.387 249 F HN 0.786 nan 8.300 nan 0.000 0.494 250 D N -1.372 119.156 120.400 0.213 0.000 2.349 250 D HA 0.156 4.795 4.640 -0.001 0.000 0.214 250 D C -0.219 176.134 176.300 0.088 0.000 1.063 250 D CA 0.101 54.165 54.000 0.107 0.000 0.847 250 D CB 0.122 40.968 40.800 0.076 0.000 0.933 250 D HN 0.606 nan 8.370 nan 0.000 0.513 251 K N -1.152 119.325 120.400 0.128 0.000 2.809 251 K HA 0.426 4.745 4.320 -0.001 0.000 0.293 251 K C -2.052 174.626 176.600 0.129 0.000 1.061 251 K CA -1.023 55.319 56.287 0.091 0.000 0.837 251 K CB 0.509 33.052 32.500 0.071 0.000 1.524 251 K HN 0.001 nan 8.250 nan 0.000 0.370 252 L N 1.470 122.738 121.223 0.075 0.000 2.436 252 L HA 0.504 4.843 4.340 -0.001 0.000 0.268 252 L C -1.089 175.810 176.870 0.047 0.000 0.974 252 L CA -0.706 54.177 54.840 0.071 0.000 0.826 252 L CB 2.483 44.545 42.059 0.005 0.000 1.291 252 L HN 0.808 nan 8.230 nan 0.000 0.406 253 S N 1.065 116.797 115.700 0.053 0.000 2.600 253 S HA 0.708 5.178 4.470 -0.001 0.000 0.300 253 S C -0.092 174.530 174.600 0.037 0.000 1.087 253 S CA -0.691 57.537 58.200 0.047 0.000 0.965 253 S CB 1.953 65.185 63.200 0.054 0.000 1.089 253 S HN 0.728 nan 8.310 nan 0.000 0.496 254 A N 0.542 123.386 122.820 0.040 0.000 2.608 254 A HA 0.386 4.705 4.320 -0.001 0.000 0.246 254 A C 1.559 179.166 177.584 0.039 0.000 0.998 254 A CA 0.948 53.008 52.037 0.040 0.000 0.796 254 A CB -1.343 17.696 19.000 0.066 0.000 0.895 254 A HN 2.047 nan 8.150 nan 0.000 0.508 255 G N 2.219 111.021 108.800 0.002 0.000 2.258 255 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.233 255 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.233 255 G C 0.080 174.996 174.900 0.026 0.000 1.006 255 G CA 0.372 45.484 45.100 0.020 0.000 0.620 255 G HN 0.857 nan 8.290 nan 0.000 0.511 256 D N 0.092 120.499 120.400 0.011 0.000 2.360 256 D HA 0.545 5.184 4.640 -0.001 0.000 0.242 256 D C 0.273 176.409 176.300 -0.274 0.000 1.184 256 D CA 0.237 54.215 54.000 -0.036 0.000 0.930 256 D CB 1.789 42.605 40.800 0.026 0.000 1.161 256 D HN 0.271 nan 8.370 nan 0.000 0.447 257 V N 0.230 119.755 119.914 -0.648 0.000 2.577 257 V HA 0.761 4.880 4.120 -0.001 0.000 0.303 257 V C 0.683 176.637 176.094 -0.233 0.000 1.042 257 V CA -0.268 61.769 62.300 -0.439 0.000 0.872 257 V CB 1.590 33.085 31.823 -0.546 0.000 0.998 257 V HN 0.765 nan 8.190 nan 0.000 0.423 258 G N 3.443 112.236 108.800 -0.012 0.000 2.696 258 G HA2 0.586 4.545 3.960 -0.001 0.000 0.151 258 G HA3 0.586 4.545 3.960 -0.001 0.000 0.151 258 G C -1.609 173.375 174.900 0.139 0.000 1.197 258 G CA 0.054 45.172 45.100 0.029 0.000 1.053 258 G HN 0.953 nan 8.290 nan 0.000 0.546 259 Y N -0.967 119.287 120.300 -0.076 0.000 2.615 259 Y HA 0.874 5.423 4.550 -0.002 0.000 0.341 259 Y C -1.121 174.645 175.900 -0.224 0.000 1.089 259 Y CA -1.839 56.130 58.100 -0.219 0.000 1.049 259 Y CB 1.395 39.644 38.460 -0.353 0.000 1.296 259 Y HN 0.549 nan 8.280 nan 0.000 0.470 260 I N 1.968 122.526 120.570 -0.020 0.000 2.686 260 I HA 0.788 4.957 4.170 -0.001 0.000 0.295 260 I C -0.950 175.137 176.117 -0.050 0.000 1.114 260 I CA -1.319 59.937 61.300 -0.074 0.000 1.038 260 I CB 2.301 40.227 38.000 -0.123 0.000 1.238 260 I HN 0.959 nan 8.210 nan 0.000 0.420 261 A N 4.008 126.804 122.820 -0.039 0.000 2.401 261 A HA 0.947 5.266 4.320 -0.001 0.000 0.310 261 A C -0.255 177.271 177.584 -0.096 0.000 1.075 261 A CA -0.334 51.642 52.037 -0.103 0.000 0.746 261 A CB 1.838 20.801 19.000 -0.061 0.000 1.277 261 A HN 0.961 nan 8.150 nan 0.000 0.425 262 A N 0.516 123.259 122.820 -0.129 0.000 2.869 262 A HA 0.541 4.860 4.320 -0.001 0.000 0.197 262 A C 0.369 177.933 177.584 -0.035 0.000 0.953 262 A CA 0.573 52.571 52.037 -0.064 0.000 1.218 262 A CB -0.845 18.124 19.000 -0.052 0.000 1.249 262 A HN 1.923 nan 8.150 nan 0.000 0.512 263 S N -0.341 115.324 115.700 -0.060 0.000 3.706 263 S HA -0.164 4.306 4.470 -0.001 0.000 0.363 263 S C 0.081 174.677 174.600 -0.006 0.000 0.999 263 S CA 1.128 59.317 58.200 -0.018 0.000 1.143 263 S CB -1.906 61.319 63.200 0.041 0.000 0.902 263 S HN 0.681 nan 8.310 nan 0.000 0.476 264 I N 1.161 121.645 120.570 -0.143 0.000 2.342 264 I HA 0.165 4.335 4.170 -0.001 0.000 0.291 264 I C 1.554 177.645 176.117 -0.043 0.000 1.010 264 I CA -0.612 60.565 61.300 -0.206 0.000 1.308 264 I CB 0.946 38.658 38.000 -0.480 0.000 1.400 264 I HN 0.163 nan 8.210 nan 0.000 0.488 265 K N 3.839 124.264 120.400 0.041 0.000 2.001 265 K HA -0.169 4.150 4.320 -0.001 0.000 0.214 265 K C 0.255 176.890 176.600 0.058 0.000 1.050 265 K CA 1.512 57.834 56.287 0.060 0.000 0.934 265 K CB -0.142 32.387 32.500 0.049 0.000 0.718 265 K HN 0.786 nan 8.250 nan 0.000 0.443 266 D N -2.059 118.346 120.400 0.008 0.000 2.615 266 D HA 0.001 4.640 4.640 -0.001 0.000 0.267 266 D C 0.857 177.139 176.300 -0.030 0.000 1.236 266 D CA -0.337 53.650 54.000 -0.022 0.000 0.839 266 D CB 1.370 42.103 40.800 -0.110 0.000 1.380 266 D HN -0.084 nan 8.370 nan 0.000 0.433 267 V N -0.981 118.917 119.914 -0.027 0.000 2.828 267 V HA -0.156 3.963 4.120 -0.001 0.000 0.260 267 V C 1.811 177.895 176.094 -0.017 0.000 1.101 267 V CA 1.260 63.541 62.300 -0.033 0.000 1.123 267 V CB -1.096 30.715 31.823 -0.020 0.000 0.704 267 V HN 0.486 nan 8.190 nan 0.000 0.493 268 R N 0.274 120.765 120.500 -0.015 0.000 2.313 268 R HA 0.069 4.408 4.340 -0.001 0.000 0.199 268 R C 1.446 177.762 176.300 0.027 0.000 0.958 268 R CA 0.806 56.913 56.100 0.012 0.000 1.047 268 R CB -0.165 30.133 30.300 -0.003 0.000 0.955 268 R HN 0.571 nan 8.270 nan 0.000 0.481 269 D N 0.667 121.071 120.400 0.005 0.000 2.327 269 D HA 0.014 4.654 4.640 -0.001 0.000 0.205 269 D C 0.909 177.200 176.300 -0.014 0.000 0.989 269 D CA 0.798 54.811 54.000 0.021 0.000 0.873 269 D CB 0.483 41.294 40.800 0.018 0.000 0.955 269 D HN 0.311 nan 8.370 nan 0.000 0.515 270 I N -0.864 119.678 120.570 -0.046 0.000 2.934 270 I HA 0.357 4.526 4.170 -0.001 0.000 0.312 270 I C -0.298 175.829 176.117 0.017 0.000 1.342 270 I CA -0.763 60.501 61.300 -0.059 0.000 0.946 270 I CB 0.282 38.196 38.000 -0.143 0.000 2.034 270 I HN -0.458 nan 8.210 nan 0.000 0.604 271 R N 1.989 122.546 120.500 0.095 0.000 2.623 271 R HA 0.362 4.701 4.340 -0.001 0.000 0.271 271 R C 0.022 176.497 176.300 0.292 0.000 1.043 271 R CA -0.223 56.010 56.100 0.222 0.000 1.083 271 R CB 1.024 31.548 30.300 0.373 0.000 0.974 271 R HN 0.483 nan 8.270 nan 0.000 0.436 272 I N 1.739 122.484 120.570 0.292 0.000 2.752 272 I HA -0.116 4.054 4.170 -0.001 0.000 0.287 272 I C 1.530 177.929 176.117 0.470 0.000 1.188 272 I CA 1.481 62.952 61.300 0.285 0.000 1.427 272 I CB 0.578 38.708 38.000 0.218 0.000 1.365 272 I HN 1.002 nan 8.210 nan 0.000 0.585 273 G N 3.584 112.591 108.800 0.345 0.000 2.217 273 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.246 273 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.246 273 G C 0.157 175.368 174.900 0.518 0.000 0.990 273 G CA 0.064 45.436 45.100 0.455 0.000 0.627 273 G HN 0.630 nan 8.290 nan 0.000 0.522 274 D N 0.711 121.316 120.400 0.343 0.000 2.377 274 D HA 0.600 5.239 4.640 -0.001 0.000 0.245 274 D C 0.382 176.680 176.300 -0.002 0.000 1.196 274 D CA 0.623 54.576 54.000 -0.078 0.000 0.962 274 D CB 0.827 41.479 40.800 -0.247 0.000 1.127 274 D HN 0.078 nan 8.370 nan 0.000 0.471 275 T N 1.406 115.919 114.554 -0.068 0.000 2.829 275 T HA 0.519 4.868 4.350 -0.001 0.000 0.280 275 T C 0.048 174.733 174.700 -0.024 0.000 0.999 275 T CA -0.531 61.568 62.100 -0.002 0.000 0.983 275 T CB 0.788 69.664 68.868 0.013 0.000 0.968 275 T HN 0.189 nan 8.240 nan 0.000 0.446 276 I N 2.300 122.864 120.570 -0.010 0.000 2.354 276 I HA 0.486 4.655 4.170 -0.001 0.000 0.292 276 I C 0.486 176.573 176.117 -0.051 0.000 0.989 276 I CA -0.300 60.981 61.300 -0.031 0.000 1.188 276 I CB 1.864 39.836 38.000 -0.047 0.000 1.342 276 I HN 0.569 nan 8.210 nan 0.000 0.457 277 T N 3.843 118.363 114.554 -0.057 0.000 2.693 277 T HA 0.444 4.793 4.350 -0.001 0.000 0.278 277 T C -0.823 173.816 174.700 -0.102 0.000 0.994 277 T CA -0.492 61.551 62.100 -0.095 0.000 1.033 277 T CB 0.981 69.835 68.868 -0.023 0.000 1.342 277 T HN 0.522 nan 8.240 nan 0.000 0.538 278 H N 0.014 119.098 119.070 0.024 0.000 2.487 278 H HA 0.557 5.112 4.556 -0.001 0.000 0.333 278 H C 1.147 176.483 175.328 0.013 0.000 1.114 278 H CA -0.150 55.910 56.048 0.019 0.000 1.310 278 H CB 1.536 31.308 29.762 0.017 0.000 1.462 278 H HN 0.714 nan 8.280 nan 0.000 0.516 279 A N 3.832 126.747 122.820 0.157 0.000 1.902 279 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 279 A C 2.092 179.708 177.584 0.053 0.000 1.181 279 A CA 1.687 53.767 52.037 0.072 0.000 0.623 279 A CB -0.304 18.721 19.000 0.043 0.000 0.818 279 A HN 0.857 nan 8.150 nan 0.000 0.443 280 K N -1.109 119.320 120.400 0.048 0.000 2.007 280 K HA -0.075 4.244 4.320 -0.001 0.000 0.206 280 K C 0.523 177.140 176.600 0.029 0.000 1.047 280 K CA 1.463 57.760 56.287 0.016 0.000 0.937 280 K CB -0.253 32.233 32.500 -0.023 0.000 0.718 280 K HN 0.305 nan 8.250 nan 0.000 0.438 281 N N 2.278 121.012 118.700 0.057 0.000 2.904 281 N HA 0.250 4.990 4.740 -0.001 0.000 0.257 281 N C -2.787 172.788 175.510 0.110 0.000 1.363 281 N CA -2.423 50.667 53.050 0.067 0.000 0.856 281 N CB 1.158 39.676 38.487 0.051 0.000 1.166 281 N HN 0.070 nan 8.380 nan 0.000 0.499 282 P HA 0.075 nan 4.420 nan 0.000 0.275 282 P C 0.204 177.534 177.300 0.049 0.000 1.227 282 P CA -0.156 62.983 63.100 0.064 0.000 0.781 282 P CB 1.001 32.726 31.700 0.041 0.000 0.906 283 T N 1.039 115.616 114.554 0.040 0.000 2.855 283 T HA -0.023 4.327 4.350 -0.001 0.000 0.314 283 T C 1.487 176.201 174.700 0.024 0.000 1.077 283 T CA -0.074 62.046 62.100 0.034 0.000 1.095 283 T CB 0.078 68.964 68.868 0.029 0.000 0.987 283 T HN 0.479 nan 8.240 nan 0.000 0.546 284 K N 1.276 121.688 120.400 0.021 0.000 2.057 284 K HA -0.010 4.309 4.320 -0.001 0.000 0.207 284 K C 0.452 177.059 176.600 0.011 0.000 1.049 284 K CA 1.340 57.636 56.287 0.016 0.000 0.931 284 K CB 0.127 32.635 32.500 0.014 0.000 0.714 284 K HN 0.694 nan 8.250 nan 0.000 0.440 285 E N 0.035 120.240 120.200 0.008 0.000 2.383 285 E HA 0.324 4.674 4.350 -0.001 0.000 0.275 285 E C -2.683 173.920 176.600 0.005 0.000 0.918 285 E CA -2.391 54.013 56.400 0.006 0.000 0.764 285 E CB 2.608 32.310 29.700 0.002 0.000 1.252 285 E HN 0.109 nan 8.360 nan 0.000 0.449 286 P HA 0.121 nan 4.420 nan 0.000 0.278 286 P C -0.277 177.033 177.300 0.015 0.000 1.266 286 P CA -0.469 62.639 63.100 0.013 0.000 0.807 286 P CB 0.722 32.425 31.700 0.004 0.000 1.094 287 V N 2.490 122.422 119.914 0.031 0.000 2.673 287 V HA 0.058 4.177 4.120 -0.001 0.000 0.303 287 V C -1.737 174.394 176.094 0.061 0.000 1.046 287 V CA -0.670 61.636 62.300 0.011 0.000 1.126 287 V CB -0.564 31.307 31.823 0.079 0.000 0.934 287 V HN 0.608 nan 8.190 nan 0.000 0.487 288 P HA 0.422 nan 4.420 nan 0.000 0.274 288 P C 0.739 178.117 177.300 0.130 0.000 1.237 288 P CA 0.652 63.798 63.100 0.078 0.000 0.793 288 P CB 0.761 32.483 31.700 0.038 0.000 0.977 289 G N 0.018 108.917 108.800 0.165 0.000 2.144 289 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.218 289 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.218 289 G C -0.146 174.941 174.900 0.312 0.000 0.988 289 G CA -0.597 44.625 45.100 0.204 0.000 0.659 289 G HN 0.514 nan 8.290 nan 0.000 0.522 290 F N 2.266 122.322 119.950 0.177 0.000 2.529 290 F HA 0.606 5.131 4.527 -0.004 0.000 0.365 290 F C 0.260 176.129 175.800 0.115 0.000 1.102 290 F CA -0.056 58.067 58.000 0.205 0.000 1.271 290 F CB 0.776 39.854 39.000 0.131 0.000 1.120 290 F HN 0.157 nan 8.300 nan 0.000 0.579 291 Q N 7.654 126.828 119.800 -1.043 0.000 2.284 291 Q HA 0.313 4.652 4.340 -0.001 0.000 0.269 291 Q C -2.665 172.568 176.000 -1.278 0.000 1.026 291 Q CA -1.816 53.347 55.803 -1.066 0.000 0.831 291 Q CB 2.314 30.536 28.738 -0.859 0.000 1.322 291 Q HN 0.432 nan 8.270 nan 0.000 0.419 292 P HA 0.195 nan 4.420 nan 0.000 0.274 292 P C -0.619 176.453 177.300 -0.379 0.000 1.237 292 P CA -0.265 62.555 63.100 -0.467 0.000 0.793 292 P CB 0.650 32.229 31.700 -0.203 0.000 0.977 293 A N 2.743 125.443 122.820 -0.199 0.000 2.540 293 A HA 0.084 4.403 4.320 -0.001 0.000 0.239 293 A C 0.200 177.707 177.584 -0.129 0.000 1.061 293 A CA 0.357 52.313 52.037 -0.135 0.000 0.758 293 A CB -0.548 18.436 19.000 -0.027 0.000 0.991 293 A HN 0.461 nan 8.150 nan 0.000 0.502 294 K N 3.405 123.732 120.400 -0.122 0.000 2.575 294 K HA 0.367 4.687 4.320 -0.001 0.000 0.236 294 K C -2.936 173.625 176.600 -0.065 0.000 0.976 294 K CA -1.447 54.780 56.287 -0.101 0.000 0.985 294 K CB 1.446 33.859 32.500 -0.146 0.000 1.198 294 K HN 0.406 nan 8.250 nan 0.000 0.464 295 P HA 0.066 nan 4.420 nan 0.000 0.268 295 P C 0.207 177.486 177.300 -0.034 0.000 1.204 295 P CA 0.024 63.069 63.100 -0.092 0.000 0.768 295 P CB 0.621 32.170 31.700 -0.251 0.000 0.842 296 M N 0.966 120.552 119.600 -0.023 0.000 2.564 296 M HA 0.135 4.615 4.480 -0.001 0.000 0.254 296 M C -0.117 176.235 176.300 0.087 0.000 1.299 296 M CA 0.700 56.016 55.300 0.026 0.000 1.143 296 M CB 0.506 33.113 32.600 0.011 0.000 1.427 296 M HN 0.013 nan 8.290 nan 0.000 0.538 297 V N 0.691 120.643 119.914 0.064 0.000 2.487 297 V HA 0.398 4.517 4.120 -0.001 0.000 0.298 297 V C -1.273 174.897 176.094 0.127 0.000 1.028 297 V CA -0.790 61.594 62.300 0.140 0.000 0.860 297 V CB 1.784 33.687 31.823 0.133 0.000 0.991 297 V HN 0.168 nan 8.190 nan 0.000 0.427 298 Y N 2.108 122.495 120.300 0.144 0.000 2.567 298 Y HA 0.887 5.435 4.550 -0.003 0.000 0.333 298 Y C 0.382 176.404 175.900 0.203 0.000 1.106 298 Y CA -0.495 57.692 58.100 0.144 0.000 1.157 298 Y CB 2.301 40.804 38.460 0.071 0.000 1.277 298 Y HN 0.793 nan 8.280 nan 0.000 0.490 299 A N 0.136 123.193 122.820 0.395 0.000 2.599 299 A HA 0.631 4.950 4.320 -0.001 0.000 0.294 299 A C -1.024 176.717 177.584 0.261 0.000 1.055 299 A CA -0.303 51.920 52.037 0.311 0.000 0.683 299 A CB 0.636 19.814 19.000 0.295 0.000 1.278 299 A HN 0.928 nan 8.150 nan 0.000 0.412 300 G N 0.774 109.708 108.800 0.223 0.000 2.338 300 G HA2 0.546 4.505 3.960 -0.001 0.000 0.298 300 G HA3 0.546 4.505 3.960 -0.001 0.000 0.298 300 G C -0.461 174.507 174.900 0.115 0.000 1.140 300 G CA -0.266 44.919 45.100 0.142 0.000 0.860 300 G HN 0.503 nan 8.290 nan 0.000 0.470 301 I N 2.310 122.855 120.570 -0.041 0.000 2.362 301 I HA 0.366 4.535 4.170 -0.001 0.000 0.289 301 I C -0.942 175.092 176.117 -0.138 0.000 0.994 301 I CA -1.033 60.280 61.300 0.021 0.000 1.158 301 I CB 1.115 39.145 38.000 0.049 0.000 1.315 301 I HN 0.381 nan 8.210 nan 0.000 0.451 302 Y N 6.467 126.833 120.300 0.111 0.000 2.485 302 Y HA 0.451 5.001 4.550 -0.001 0.000 0.345 302 Y C -2.095 173.859 175.900 0.090 0.000 0.998 302 Y CA -2.354 55.810 58.100 0.107 0.000 1.059 302 Y CB 2.019 40.523 38.460 0.074 0.000 1.234 302 Y HN 0.377 nan 8.280 nan 0.000 0.461 303 P HA 0.221 nan 4.420 nan 0.000 0.271 303 P C -0.912 176.472 177.300 0.140 0.000 1.216 303 P CA 0.209 63.409 63.100 0.166 0.000 0.776 303 P CB 1.441 33.243 31.700 0.169 0.000 0.881 304 A N 2.287 125.165 122.820 0.096 0.000 2.468 304 A HA 0.490 4.809 4.320 -0.001 0.000 0.270 304 A C 0.627 178.243 177.584 0.054 0.000 1.217 304 A CA -0.488 51.592 52.037 0.071 0.000 0.908 304 A CB 0.157 19.193 19.000 0.059 0.000 1.423 304 A HN 0.596 nan 8.150 nan 0.000 0.459 305 E N -0.638 119.586 120.200 0.040 0.000 3.534 305 E HA -0.331 4.018 4.350 -0.001 0.000 0.444 305 E C 0.544 177.165 176.600 0.036 0.000 1.628 305 E CA 2.091 58.510 56.400 0.033 0.000 1.458 305 E CB -0.718 29.000 29.700 0.029 0.000 1.419 305 E HN 0.854 nan 8.360 nan 0.000 0.418 306 D N 0.225 120.646 120.400 0.034 0.000 2.327 306 D HA -0.004 4.635 4.640 -0.001 0.000 0.205 306 D C 0.411 176.737 176.300 0.044 0.000 0.989 306 D CA 0.453 54.474 54.000 0.035 0.000 0.873 306 D CB -0.253 40.564 40.800 0.030 0.000 0.955 306 D HN 0.120 nan 8.370 nan 0.000 0.515 307 T N 1.953 116.536 114.554 0.047 0.000 2.933 307 T HA 0.141 4.490 4.350 -0.001 0.000 0.306 307 T C 0.778 175.520 174.700 0.071 0.000 1.045 307 T CA 0.503 62.635 62.100 0.053 0.000 1.143 307 T CB 0.985 69.885 68.868 0.052 0.000 1.003 307 T HN 0.341 nan 8.240 nan 0.000 0.540 308 T N 0.729 115.328 114.554 0.075 0.000 2.910 308 T HA 0.360 4.710 4.350 -0.001 0.000 0.279 308 T C 1.003 175.792 174.700 0.148 0.000 0.989 308 T CA -0.878 61.288 62.100 0.109 0.000 0.968 308 T CB 0.664 69.592 68.868 0.099 0.000 1.135 308 T HN 0.502 nan 8.240 nan 0.000 0.562 309 Y N 1.093 121.423 120.300 0.049 0.000 2.114 309 Y HA -0.064 4.484 4.550 -0.002 0.000 0.284 309 Y C 2.442 178.394 175.900 0.087 0.000 1.143 309 Y CA 2.260 60.397 58.100 0.061 0.000 1.135 309 Y CB -0.633 37.838 38.460 0.019 0.000 0.980 309 Y HN 0.780 nan 8.280 nan 0.000 0.499 310 E N 0.585 120.847 120.200 0.104 0.000 2.070 310 E HA -0.231 4.118 4.350 -0.001 0.000 0.197 310 E C 2.072 178.637 176.600 -0.057 0.000 1.004 310 E CA 2.081 58.481 56.400 0.000 0.000 0.805 310 E CB -0.318 29.422 29.700 0.067 0.000 0.744 310 E HN 0.654 nan 8.360 nan 0.000 0.451 311 E N -0.261 119.929 120.200 -0.016 0.000 2.110 311 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 311 E C 1.990 178.539 176.600 -0.086 0.000 0.988 311 E CA 0.774 57.157 56.400 -0.030 0.000 0.804 311 E CB -0.121 29.586 29.700 0.011 0.000 0.745 311 E HN 0.118 nan 8.360 nan 0.000 0.458 312 L N 1.244 122.413 121.223 -0.089 0.000 2.044 312 L HA -0.103 4.236 4.340 -0.001 0.000 0.205 312 L C 2.388 179.073 176.870 -0.308 0.000 1.075 312 L CA 1.695 56.452 54.840 -0.138 0.000 0.747 312 L CB -0.367 41.676 42.059 -0.025 0.000 0.903 312 L HN -0.108 nan 8.230 nan 0.000 0.435 313 R N -0.382 119.934 120.500 -0.306 0.000 2.080 313 R HA -0.248 4.091 4.340 -0.001 0.000 0.236 313 R C 2.172 178.233 176.300 -0.398 0.000 1.137 313 R CA 2.170 58.002 56.100 -0.448 0.000 0.943 313 R CB -0.641 29.509 30.300 -0.250 0.000 0.846 313 R HN 0.576 nan 8.270 nan 0.000 0.431 314 D N -0.372 119.879 120.400 -0.248 0.000 2.133 314 D HA -0.177 4.462 4.640 -0.001 0.000 0.195 314 D C 1.713 177.830 176.300 -0.304 0.000 0.997 314 D CA 1.768 55.645 54.000 -0.205 0.000 0.840 314 D CB -0.070 40.660 40.800 -0.117 0.000 0.947 314 D HN 0.417 nan 8.370 nan 0.000 0.452 315 A N -0.145 122.452 122.820 -0.372 0.000 1.930 315 A HA -0.063 4.257 4.320 -0.001 0.000 0.217 315 A C 2.379 179.552 177.584 -0.685 0.000 1.175 315 A CA 0.999 52.657 52.037 -0.632 0.000 0.627 315 A CB -0.778 17.962 19.000 -0.432 0.000 0.815 315 A HN 0.381 nan 8.150 nan 0.000 0.443 316 L N -0.793 120.092 121.223 -0.564 0.000 2.093 316 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 316 L C 2.547 179.233 176.870 -0.306 0.000 1.085 316 L CA 1.514 56.020 54.840 -0.557 0.000 0.755 316 L CB -0.466 40.923 42.059 -1.118 0.000 0.904 316 L HN 0.460 nan 8.230 nan 0.000 0.435 317 E N -0.006 120.023 120.200 -0.285 0.000 2.110 317 E HA -0.216 4.134 4.350 -0.001 0.000 0.193 317 E C 2.149 178.674 176.600 -0.125 0.000 0.988 317 E CA 1.082 57.420 56.400 -0.103 0.000 0.804 317 E CB 0.054 29.691 29.700 -0.106 0.000 0.745 317 E HN 0.416 nan 8.360 nan 0.000 0.458 318 K N -0.026 120.246 120.400 -0.214 0.000 2.062 318 K HA -0.148 4.172 4.320 -0.001 0.000 0.205 318 K C 2.139 178.696 176.600 -0.071 0.000 1.051 318 K CA 1.096 57.287 56.287 -0.160 0.000 0.941 318 K CB -0.220 32.165 32.500 -0.192 0.000 0.719 318 K HN 0.162 nan 8.250 nan 0.000 0.440 319 Y N 1.811 121.973 120.300 -0.230 0.000 2.200 319 Y HA -0.187 4.362 4.550 -0.002 0.000 0.290 319 Y C 2.233 178.139 175.900 0.011 0.000 1.137 319 Y CA 1.266 59.359 58.100 -0.012 0.000 1.163 319 Y CB -0.360 38.074 38.460 -0.043 0.000 0.988 319 Y HN 0.033 nan 8.280 nan 0.000 0.518 320 A N 0.764 123.588 122.820 0.007 0.000 1.986 320 A HA -0.211 4.108 4.320 -0.001 0.000 0.220 320 A C 2.093 179.583 177.584 -0.157 0.000 1.171 320 A CA 1.885 53.911 52.037 -0.018 0.000 0.640 320 A CB -1.043 18.024 19.000 0.112 0.000 0.811 320 A HN 0.542 nan 8.150 nan 0.000 0.451 321 I N 0.765 121.218 120.570 -0.195 0.000 2.335 321 I HA -0.197 3.973 4.170 -0.001 0.000 0.251 321 I C 0.952 176.937 176.117 -0.219 0.000 1.129 321 I CA 1.305 62.438 61.300 -0.279 0.000 1.402 321 I CB -1.171 36.604 38.000 -0.374 0.000 1.069 321 I HN 0.412 nan 8.210 nan 0.000 0.424 322 N N 0.383 118.955 118.700 -0.213 0.000 2.235 322 N HA 0.017 4.756 4.740 -0.001 0.000 0.209 322 N C -0.002 175.389 175.510 -0.197 0.000 1.122 322 N CA 0.184 53.150 53.050 -0.140 0.000 0.845 322 N CB 0.968 39.387 38.487 -0.113 0.000 1.004 322 N HN 0.272 nan 8.380 nan 0.000 0.499 323 D N 0.308 120.574 120.400 -0.225 0.000 2.402 323 D HA 0.313 4.952 4.640 -0.001 0.000 0.252 323 D C 0.097 176.393 176.300 -0.008 0.000 1.294 323 D CA -0.480 53.458 54.000 -0.104 0.000 0.948 323 D CB 1.493 42.220 40.800 -0.123 0.000 1.202 323 D HN 0.014 nan 8.370 nan 0.000 0.561 324 A N 2.629 125.459 122.820 0.017 0.000 2.167 324 A HA 0.271 4.590 4.320 -0.001 0.000 0.214 324 A C 1.721 179.334 177.584 0.048 0.000 1.151 324 A CA 1.282 53.334 52.037 0.024 0.000 0.735 324 A CB 0.133 19.154 19.000 0.035 0.000 0.802 324 A HN 0.520 nan 8.150 nan 0.000 0.467 325 A N -0.461 122.413 122.820 0.090 0.000 1.956 325 A HA 0.339 4.659 4.320 -0.001 0.000 0.212 325 A C 1.037 178.698 177.584 0.128 0.000 1.188 325 A CA 0.003 52.101 52.037 0.102 0.000 0.675 325 A CB -0.311 18.745 19.000 0.092 0.000 0.845 325 A HN 0.492 nan 8.150 nan 0.000 0.455 326 I N 1.839 122.544 120.570 0.224 0.000 2.815 326 I HA 0.218 4.387 4.170 -0.001 0.000 0.291 326 I C -0.193 175.901 176.117 -0.040 0.000 1.209 326 I CA -0.056 61.310 61.300 0.110 0.000 1.431 326 I CB 0.993 39.130 38.000 0.229 0.000 1.351 326 I HN 0.260 nan 8.210 nan 0.000 0.585 327 V N 5.535 125.357 119.914 -0.153 0.000 3.040 327 V HA 0.772 4.891 4.120 -0.001 0.000 0.312 327 V C -1.311 174.721 176.094 -0.104 0.000 1.115 327 V CA -0.552 61.642 62.300 -0.176 0.000 0.998 327 V CB 1.706 33.471 31.823 -0.098 0.000 1.042 327 V HN 0.832 nan 8.190 nan 0.000 0.433 328 Y N 0.077 120.341 120.300 -0.061 0.000 2.662 328 Y HA 0.867 5.418 4.550 0.001 0.000 0.334 328 Y C -1.121 174.835 175.900 0.093 0.000 1.185 328 Y CA -0.821 57.269 58.100 -0.017 0.000 1.074 328 Y CB 1.115 39.490 38.460 -0.141 0.000 1.330 328 Y HN 1.074 nan 8.280 nan 0.000 0.458 329 E N 0.809 121.297 120.200 0.480 0.000 2.372 329 E HA 0.563 4.912 4.350 -0.001 0.000 0.279 329 E C -3.407 173.428 176.600 0.391 0.000 0.946 329 E CA -2.527 54.110 56.400 0.394 0.000 0.769 329 E CB 2.905 32.710 29.700 0.176 0.000 1.230 329 E HN 0.318 nan 8.360 nan 0.000 0.442 330 P HA -0.005 nan 4.420 nan 0.000 0.265 330 P C -1.035 176.213 177.300 -0.087 0.000 1.193 330 P CA 0.443 63.474 63.100 -0.114 0.000 0.765 330 P CB 0.488 32.185 31.700 -0.004 0.000 0.823 331 E N 1.662 121.750 120.200 -0.186 0.000 2.343 331 E HA 0.528 4.877 4.350 -0.001 0.000 0.278 331 E C -1.476 175.100 176.600 -0.039 0.000 0.910 331 E CA -0.770 55.584 56.400 -0.076 0.000 0.757 331 E CB 1.410 31.084 29.700 -0.043 0.000 1.218 331 E HN 0.384 nan 8.360 nan 0.000 0.435 332 S N 2.042 117.769 115.700 0.045 0.000 2.548 332 S HA 0.709 5.178 4.470 -0.001 0.000 0.286 332 S C -1.007 173.663 174.600 0.117 0.000 1.098 332 S CA -0.688 57.568 58.200 0.093 0.000 0.930 332 S CB 1.906 65.094 63.200 -0.021 0.000 1.070 332 S HN 0.327 nan 8.310 nan 0.000 0.480 333 S N 1.520 117.276 115.700 0.095 0.000 2.570 333 S HA 0.694 5.163 4.470 -0.001 0.000 0.286 333 S C -1.882 172.690 174.600 -0.048 0.000 1.099 333 S CA -2.000 56.202 58.200 0.004 0.000 0.913 333 S CB 1.457 64.610 63.200 -0.079 0.000 1.085 333 S HN 0.655 nan 8.310 nan 0.000 0.480 334 P HA -0.092 nan 4.420 nan 0.000 0.213 334 P C 1.165 178.421 177.300 -0.072 0.000 1.170 334 P CA 1.932 65.000 63.100 -0.054 0.000 0.902 334 P CB -0.142 31.531 31.700 -0.045 0.000 0.789 335 A N -0.316 122.450 122.820 -0.091 0.000 1.898 335 A HA 0.000 4.320 4.320 -0.001 0.000 0.214 335 A C 2.442 179.944 177.584 -0.136 0.000 1.183 335 A CA 0.986 52.963 52.037 -0.100 0.000 0.622 335 A CB -1.323 17.621 19.000 -0.093 0.000 0.824 335 A HN 0.127 nan 8.150 nan 0.000 0.444 336 L N -1.254 119.829 121.223 -0.233 0.000 2.492 336 L HA 0.220 4.559 4.340 -0.001 0.000 0.223 336 L C 1.697 178.457 176.870 -0.183 0.000 1.132 336 L CA 0.376 55.008 54.840 -0.348 0.000 0.850 336 L CB -0.895 40.613 42.059 -0.918 0.000 0.966 336 L HN 0.646 nan 8.230 nan 0.000 0.454 337 G N 0.703 109.444 108.800 -0.098 0.000 2.509 337 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.259 337 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.259 337 G C -0.140 174.812 174.900 0.086 0.000 1.169 337 G CA -0.247 44.843 45.100 -0.017 0.000 0.953 337 G HN 0.059 nan 8.290 nan 0.000 0.563 338 M N 1.697 121.319 119.600 0.035 0.000 2.238 338 M HA 0.589 5.068 4.480 -0.001 0.000 0.350 338 M C 0.810 177.193 176.300 0.137 0.000 1.138 338 M CA 0.497 55.758 55.300 -0.065 0.000 1.040 338 M CB 1.539 33.760 32.600 -0.631 0.000 1.639 338 M HN 1.172 nan 8.290 nan 0.000 0.451 339 G N 2.067 110.806 108.800 -0.101 0.000 2.976 339 G HA2 0.789 4.748 3.960 -0.001 0.000 0.276 339 G HA3 0.789 4.748 3.960 -0.001 0.000 0.276 339 G C -1.907 172.592 174.900 -0.669 0.000 1.207 339 G CA -0.436 44.388 45.100 -0.459 0.000 0.803 339 G HN 0.514 nan 8.290 nan 0.000 0.572 340 F N -0.576 119.139 119.950 -0.391 0.000 2.578 340 F HA 0.658 5.183 4.527 -0.003 0.000 0.311 340 F C -0.030 175.682 175.800 -0.147 0.000 1.094 340 F CA -0.836 57.054 58.000 -0.183 0.000 0.923 340 F CB 2.658 41.543 39.000 -0.190 0.000 1.230 340 F HN 0.335 nan 8.300 nan 0.000 0.450 341 R N 2.301 122.904 120.500 0.172 0.000 2.198 341 R HA 0.664 5.003 4.340 -0.001 0.000 0.339 341 R C -1.882 174.552 176.300 0.224 0.000 1.020 341 R CA -0.342 55.862 56.100 0.173 0.000 0.864 341 R CB 0.367 30.756 30.300 0.148 0.000 1.105 341 R HN 0.450 nan 8.270 nan 0.000 0.463 342 V N 3.333 123.323 119.914 0.128 0.000 2.581 342 V HA 0.731 4.850 4.120 -0.001 0.000 0.303 342 V C 0.612 176.374 176.094 -0.554 0.000 1.041 342 V CA -0.769 61.422 62.300 -0.181 0.000 0.907 342 V CB 1.948 33.553 31.823 -0.364 0.000 0.994 342 V HN 0.842 nan 8.190 nan 0.000 0.442 343 G N 2.524 110.764 108.800 -0.933 0.000 2.416 343 G HA2 0.723 4.683 3.960 -0.001 0.000 0.324 343 G HA3 0.723 4.683 3.960 -0.001 0.000 0.324 343 G C -1.313 172.881 174.900 -1.178 0.000 1.194 343 G CA -0.257 43.912 45.100 -1.551 0.000 0.922 343 G HN 0.369 nan 8.290 nan 0.000 0.467 344 F N 0.356 120.068 119.950 -0.396 0.000 2.598 344 F HA 0.430 4.957 4.527 0.001 0.000 0.327 344 F C 1.285 177.114 175.800 0.049 0.000 1.057 344 F CA -1.067 56.858 58.000 -0.124 0.000 0.957 344 F CB 1.907 40.765 39.000 -0.236 0.000 1.278 344 F HN 0.225 nan 8.300 nan 0.000 0.484 345 L N 0.900 122.463 121.223 0.568 0.000 2.478 345 L HA 0.281 4.620 4.340 -0.001 0.000 0.223 345 L C 0.872 177.793 176.870 0.085 0.000 1.140 345 L CA 0.719 55.657 54.840 0.164 0.000 0.842 345 L CB -0.705 41.323 42.059 -0.052 0.000 0.953 345 L HN 0.848 nan 8.230 nan 0.000 0.452 346 G N -1.877 107.011 108.800 0.147 0.000 2.317 346 G HA2 0.148 4.107 3.960 -0.001 0.000 0.293 346 G HA3 0.148 4.107 3.960 -0.001 0.000 0.293 346 G C -0.070 174.842 174.900 0.019 0.000 1.287 346 G CA -0.747 44.406 45.100 0.087 0.000 0.850 346 G HN -0.158 nan 8.290 nan 0.000 0.515 347 L N -0.250 120.980 121.223 0.011 0.000 2.017 347 L HA -0.003 4.337 4.340 -0.001 0.000 0.208 347 L C 2.899 179.654 176.870 -0.192 0.000 1.073 347 L CA 1.317 56.111 54.840 -0.078 0.000 0.745 347 L CB -0.408 41.653 42.059 0.003 0.000 0.894 347 L HN 0.462 nan 8.230 nan 0.000 0.432 348 L N -0.513 120.537 121.223 -0.287 0.000 2.017 348 L HA -0.288 4.052 4.340 -0.001 0.000 0.208 348 L C 2.637 179.414 176.870 -0.154 0.000 1.073 348 L CA 1.850 56.467 54.840 -0.372 0.000 0.745 348 L CB -0.767 40.745 42.059 -0.913 0.000 0.894 348 L HN 0.269 nan 8.230 nan 0.000 0.432 349 H N -1.219 117.713 119.070 -0.230 0.000 2.387 349 H HA -0.254 4.300 4.556 -0.002 0.000 0.299 349 H C 2.227 177.473 175.328 -0.137 0.000 1.099 349 H CA 1.958 58.008 56.048 0.003 0.000 1.315 349 H CB 0.115 29.908 29.762 0.052 0.000 1.380 349 H HN 0.461 nan 8.280 nan 0.000 0.513 350 M N 0.583 119.866 119.600 -0.528 0.000 2.086 350 M HA -0.180 4.299 4.480 -0.001 0.000 0.261 350 M C 2.447 178.355 176.300 -0.654 0.000 1.067 350 M CA 2.056 56.612 55.300 -1.240 0.000 1.116 350 M CB -0.123 31.759 32.600 -1.196 0.000 1.348 350 M HN 0.351 nan 8.290 nan 0.000 0.407 351 E N 0.670 120.646 120.200 -0.374 0.000 2.049 351 E HA -0.252 4.097 4.350 -0.001 0.000 0.198 351 E C 1.859 178.362 176.600 -0.162 0.000 1.007 351 E CA 2.261 58.523 56.400 -0.230 0.000 0.809 351 E CB -0.395 29.204 29.700 -0.168 0.000 0.749 351 E HN 0.685 nan 8.360 nan 0.000 0.450 352 I N 0.717 121.235 120.570 -0.086 0.000 2.151 352 I HA -0.315 3.854 4.170 -0.001 0.000 0.243 352 I C 2.518 178.608 176.117 -0.045 0.000 1.080 352 I CA 1.115 62.422 61.300 0.012 0.000 1.339 352 I CB -0.325 37.779 38.000 0.173 0.000 1.039 352 I HN 0.110 nan 8.210 nan 0.000 0.409 353 V N 0.241 120.061 119.914 -0.156 0.000 2.343 353 V HA -0.308 3.811 4.120 -0.001 0.000 0.247 353 V C 2.410 178.315 176.094 -0.314 0.000 1.051 353 V CA 1.822 63.893 62.300 -0.382 0.000 1.036 353 V CB -0.772 30.845 31.823 -0.344 0.000 0.654 353 V HN 0.465 nan 8.190 nan 0.000 0.451 354 Q N -0.148 119.502 119.800 -0.250 0.000 2.002 354 Q HA -0.241 4.098 4.340 -0.001 0.000 0.204 354 Q C 2.376 178.312 176.000 -0.106 0.000 0.988 354 Q CA 2.135 57.836 55.803 -0.171 0.000 0.843 354 Q CB -0.256 28.380 28.738 -0.170 0.000 0.908 354 Q HN 0.701 nan 8.270 nan 0.000 0.420 355 E N 0.361 120.508 120.200 -0.088 0.000 2.097 355 E HA -0.247 4.102 4.350 -0.001 0.000 0.196 355 E C 2.051 178.637 176.600 -0.024 0.000 1.000 355 E CA 1.001 57.373 56.400 -0.047 0.000 0.804 355 E CB -0.229 29.449 29.700 -0.037 0.000 0.740 355 E HN 0.213 nan 8.360 nan 0.000 0.454 356 R N 0.552 121.043 120.500 -0.015 0.000 2.148 356 R HA -0.110 4.229 4.340 -0.001 0.000 0.223 356 R C 2.173 178.531 176.300 0.098 0.000 1.088 356 R CA 0.494 56.621 56.100 0.045 0.000 0.985 356 R CB 0.009 30.400 30.300 0.151 0.000 0.880 356 R HN 0.079 nan 8.270 nan 0.000 0.451 357 L N 1.073 122.322 121.223 0.043 0.000 2.109 357 L HA -0.050 4.289 4.340 -0.001 0.000 0.207 357 L C 1.507 178.465 176.870 0.146 0.000 1.086 357 L CA 1.794 56.715 54.840 0.135 0.000 0.760 357 L CB -0.120 41.901 42.059 -0.063 0.000 0.910 357 L HN 0.184 nan 8.230 nan 0.000 0.437 358 E N -1.654 118.575 120.200 0.048 0.000 2.318 358 E HA -0.059 4.290 4.350 -0.001 0.000 0.193 358 E C 1.960 178.569 176.600 0.015 0.000 0.998 358 E CA 0.114 56.533 56.400 0.033 0.000 0.859 358 E CB 0.189 29.893 29.700 0.007 0.000 0.812 358 E HN 0.312 nan 8.360 nan 0.000 0.492 359 R N 0.591 121.088 120.500 -0.005 0.000 2.225 359 R HA -0.006 4.334 4.340 -0.001 0.000 0.194 359 R C 1.673 177.909 176.300 -0.105 0.000 0.957 359 R CA 0.576 56.653 56.100 -0.039 0.000 1.042 359 R CB 0.465 30.745 30.300 -0.033 0.000 1.004 359 R HN -0.059 nan 8.270 nan 0.000 0.509 360 E N -1.051 119.034 120.200 -0.192 0.000 2.307 360 E HA -0.021 4.328 4.350 -0.001 0.000 0.195 360 E C 0.135 176.281 176.600 -0.756 0.000 0.975 360 E CA 0.893 56.986 56.400 -0.512 0.000 0.878 360 E CB 0.303 29.572 29.700 -0.719 0.000 0.845 360 E HN 0.373 nan 8.360 nan 0.000 0.488 361 Y N -1.556 118.749 120.300 0.008 0.000 2.563 361 Y HA 0.386 4.935 4.550 -0.001 0.000 0.250 361 Y C 1.038 176.934 175.900 -0.006 0.000 1.126 361 Y CA -0.182 57.917 58.100 -0.000 0.000 1.231 361 Y CB 1.016 39.471 38.460 -0.009 0.000 1.288 361 Y HN 0.042 nan 8.280 nan 0.000 0.537 362 G N 2.101 110.946 108.800 0.074 0.000 2.393 362 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.299 362 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.299 362 G C -0.035 174.902 174.900 0.061 0.000 0.990 362 G CA 0.505 45.634 45.100 0.049 0.000 1.118 362 G HN 0.443 nan 8.290 nan 0.000 0.513 363 V N -3.251 116.705 119.914 0.071 0.000 2.713 363 V HA 0.871 4.991 4.120 -0.001 0.000 0.307 363 V C 0.068 176.183 176.094 0.036 0.000 1.052 363 V CA -1.842 60.488 62.300 0.049 0.000 0.967 363 V CB 2.093 33.937 31.823 0.035 0.000 1.019 363 V HN 0.134 nan 8.190 nan 0.000 0.459 364 K N 4.626 125.048 120.400 0.036 0.000 2.240 364 K HA 0.672 4.992 4.320 -0.001 0.000 0.271 364 K C -0.562 176.065 176.600 0.046 0.000 1.018 364 K CA -0.148 56.160 56.287 0.035 0.000 0.874 364 K CB 1.471 33.993 32.500 0.036 0.000 1.098 364 K HN 0.955 nan 8.250 nan 0.000 0.458 365 I N 0.107 120.702 120.570 0.042 0.000 2.769 365 I HA 0.546 4.715 4.170 -0.001 0.000 0.298 365 I C -0.577 175.581 176.117 0.069 0.000 1.128 365 I CA -1.254 60.084 61.300 0.063 0.000 1.031 365 I CB 2.211 40.236 38.000 0.042 0.000 1.235 365 I HN 0.472 nan 8.210 nan 0.000 0.423 366 I N 3.435 124.072 120.570 0.112 0.000 2.441 366 I HA 0.570 4.739 4.170 -0.001 0.000 0.295 366 I C -0.902 175.305 176.117 0.150 0.000 0.994 366 I CA 0.008 61.371 61.300 0.105 0.000 1.144 366 I CB 1.931 39.990 38.000 0.099 0.000 1.314 366 I HN 0.754 nan 8.210 nan 0.000 0.445 367 T N 5.083 119.701 114.554 0.107 0.000 2.807 367 T HA 0.350 4.699 4.350 -0.001 0.000 0.279 367 T C 0.099 174.870 174.700 0.119 0.000 0.993 367 T CA -0.480 61.692 62.100 0.121 0.000 0.970 367 T CB 1.459 70.358 68.868 0.052 0.000 0.950 367 T HN 0.775 nan 8.240 nan 0.000 0.441 368 T N 0.670 115.326 114.554 0.169 0.000 2.698 368 T HA 0.601 4.950 4.350 -0.001 0.000 0.295 368 T C 0.724 175.479 174.700 0.093 0.000 1.007 368 T CA -0.765 61.418 62.100 0.138 0.000 0.980 368 T CB 0.313 69.294 68.868 0.188 0.000 1.036 368 T HN 0.743 nan 8.240 nan 0.000 0.526 369 A N 2.251 125.110 122.820 0.065 0.000 2.445 369 A HA 0.524 4.844 4.320 -0.001 0.000 0.242 369 A C -1.714 175.915 177.584 0.076 0.000 1.075 369 A CA -1.343 50.715 52.037 0.036 0.000 0.777 369 A CB -0.704 18.282 19.000 -0.022 0.000 1.013 369 A HN 0.840 nan 8.150 nan 0.000 0.493 370 P HA 0.247 nan 4.420 nan 0.000 0.276 370 P C -1.217 176.151 177.300 0.114 0.000 1.252 370 P CA -0.418 62.749 63.100 0.111 0.000 0.802 370 P CB 0.972 32.718 31.700 0.078 0.000 1.035 371 N N -0.797 117.997 118.700 0.156 0.000 2.494 371 N HA 0.334 5.074 4.740 -0.001 0.000 0.270 371 N C -0.650 174.928 175.510 0.112 0.000 1.285 371 N CA -0.788 52.346 53.050 0.140 0.000 0.812 371 N CB 1.941 40.547 38.487 0.199 0.000 1.557 371 N HN 0.214 nan 8.380 nan 0.000 0.487 372 V N -1.622 118.265 119.914 -0.044 0.000 3.262 372 V HA 0.600 4.719 4.120 -0.001 0.000 0.313 372 V C 0.503 176.476 176.094 -0.201 0.000 1.070 372 V CA -0.941 61.275 62.300 -0.140 0.000 1.049 372 V CB 0.526 32.152 31.823 -0.328 0.000 1.157 372 V HN 0.607 nan 8.190 nan 0.000 0.454 373 I N 1.764 122.281 120.570 -0.087 0.000 2.352 373 I HA 0.353 4.522 4.170 -0.001 0.000 0.290 373 I C -0.816 175.305 176.117 0.006 0.000 1.036 373 I CA -0.045 61.256 61.300 0.002 0.000 1.336 373 I CB 0.480 38.552 38.000 0.120 0.000 1.407 373 I HN 0.596 nan 8.210 nan 0.000 0.497 374 Y N 5.319 125.760 120.300 0.236 0.000 2.387 374 Y HA 0.498 5.046 4.550 -0.004 0.000 0.330 374 Y C 0.285 176.313 175.900 0.213 0.000 1.133 374 Y CA -0.725 57.558 58.100 0.304 0.000 1.152 374 Y CB 1.184 39.828 38.460 0.305 0.000 1.215 374 Y HN 0.380 nan 8.280 nan 0.000 0.466 375 R N 1.759 122.493 120.500 0.391 0.000 2.229 375 R HA 0.592 4.932 4.340 -0.001 0.000 0.332 375 R C -1.559 174.830 176.300 0.149 0.000 0.989 375 R CA -0.626 55.570 56.100 0.160 0.000 0.842 375 R CB 1.111 31.445 30.300 0.057 0.000 1.119 375 R HN 0.383 nan 8.270 nan 0.000 0.456 376 V N 3.668 123.570 119.914 -0.019 0.000 2.448 376 V HA 0.256 4.376 4.120 -0.001 0.000 0.295 376 V C -0.382 175.518 176.094 -0.323 0.000 1.025 376 V CA -0.885 61.303 62.300 -0.186 0.000 0.859 376 V CB 1.737 33.359 31.823 -0.336 0.000 0.988 376 V HN 0.507 nan 8.190 nan 0.000 0.431 377 K N 5.900 125.960 120.400 -0.568 0.000 2.316 377 K HA 0.486 4.805 4.320 -0.001 0.000 0.267 377 K C -0.267 176.044 176.600 -0.481 0.000 1.025 377 K CA -0.380 55.511 56.287 -0.661 0.000 0.896 377 K CB 0.681 32.350 32.500 -1.384 0.000 1.124 377 K HN 0.724 nan 8.250 nan 0.000 0.451 378 K N 3.369 123.569 120.400 -0.334 0.000 2.156 378 K HA 0.335 4.654 4.320 -0.001 0.000 0.254 378 K C 0.116 176.543 176.600 -0.288 0.000 0.950 378 K CA -0.972 55.145 56.287 -0.283 0.000 0.849 378 K CB 1.708 34.076 32.500 -0.219 0.000 1.100 378 K HN 0.349 nan 8.250 nan 0.000 0.434 379 K N 0.664 120.837 120.400 -0.379 0.000 2.107 379 K HA -0.164 4.155 4.320 -0.001 0.000 0.211 379 K C 0.626 176.803 176.600 -0.705 0.000 1.049 379 K CA 1.902 57.816 56.287 -0.623 0.000 0.927 379 K CB -0.308 31.627 32.500 -0.941 0.000 0.714 379 K HN 0.480 nan 8.250 nan 0.000 0.452 380 F N 0.223 120.131 119.950 -0.069 0.000 2.647 380 F HA 0.162 4.687 4.527 -0.003 0.000 0.300 380 F C 0.088 175.853 175.800 -0.059 0.000 1.106 380 F CA -0.095 57.872 58.000 -0.055 0.000 1.313 380 F CB 0.623 39.594 39.000 -0.047 0.000 1.007 380 F HN -0.301 nan 8.300 nan 0.000 0.536 381 T N 0.441 115.003 114.554 0.014 0.000 2.815 381 T HA 0.147 4.496 4.350 -0.001 0.000 0.289 381 T C 0.584 175.258 174.700 -0.043 0.000 1.000 381 T CA -0.564 61.531 62.100 -0.010 0.000 0.958 381 T CB 1.587 70.429 68.868 -0.043 0.000 0.944 381 T HN -0.016 nan 8.240 nan 0.000 0.442 382 D N 1.773 122.162 120.400 -0.019 0.000 2.092 382 D HA -0.077 4.562 4.640 -0.001 0.000 0.193 382 D C 0.775 177.054 176.300 -0.035 0.000 0.994 382 D CA 1.332 55.319 54.000 -0.022 0.000 0.828 382 D CB 0.328 41.125 40.800 -0.006 0.000 0.963 382 D HN 0.484 nan 8.370 nan 0.000 0.450 383 E N 0.935 121.113 120.200 -0.037 0.000 2.283 383 E HA 0.221 4.571 4.350 -0.001 0.000 0.278 383 E C -0.059 176.501 176.600 -0.068 0.000 1.027 383 E CA -0.483 55.893 56.400 -0.041 0.000 0.843 383 E CB 1.902 31.583 29.700 -0.032 0.000 1.062 383 E HN -0.150 nan 8.360 nan 0.000 0.401 384 V N 3.677 123.551 119.914 -0.066 0.000 2.655 384 V HA -0.049 4.070 4.120 -0.001 0.000 0.300 384 V C 0.648 176.691 176.094 -0.085 0.000 1.044 384 V CA -0.045 62.198 62.300 -0.095 0.000 1.095 384 V CB 0.381 32.175 31.823 -0.049 0.000 0.952 384 V HN 0.518 nan 8.190 nan 0.000 0.485 385 I N 4.258 124.765 120.570 -0.106 0.000 2.385 385 I HA 0.339 4.509 4.170 -0.001 0.000 0.294 385 I C 0.246 176.326 176.117 -0.061 0.000 0.988 385 I CA 0.096 61.344 61.300 -0.086 0.000 1.265 385 I CB 1.237 39.172 38.000 -0.109 0.000 1.388 385 I HN 0.683 nan 8.210 nan 0.000 0.480 386 E N 6.016 126.187 120.200 -0.049 0.000 2.115 386 E HA 0.346 4.695 4.350 -0.001 0.000 0.282 386 E C -1.200 175.392 176.600 -0.014 0.000 0.987 386 E CA -0.605 55.779 56.400 -0.026 0.000 0.797 386 E CB 1.539 31.210 29.700 -0.048 0.000 1.086 386 E HN 0.394 nan 8.360 nan 0.000 0.397 387 V N 5.362 125.311 119.914 0.059 0.000 2.333 387 V HA 0.159 4.278 4.120 -0.001 0.000 0.274 387 V C 1.102 177.225 176.094 0.048 0.000 1.028 387 V CA -0.300 62.051 62.300 0.086 0.000 0.851 387 V CB 0.765 32.724 31.823 0.226 0.000 1.000 387 V HN 0.686 nan 8.190 nan 0.000 0.456 388 R N 2.615 123.041 120.500 -0.123 0.000 2.308 388 R HA 0.262 4.602 4.340 -0.001 0.000 0.202 388 R C 0.358 176.544 176.300 -0.190 0.000 0.898 388 R CA -0.218 55.656 56.100 -0.377 0.000 1.046 388 R CB 0.339 30.059 30.300 -0.967 0.000 1.026 388 R HN 0.535 nan 8.270 nan 0.000 0.512 389 N N 1.086 119.768 118.700 -0.030 0.000 2.461 389 N HA 0.269 5.009 4.740 -0.001 0.000 0.284 389 N C -2.349 173.231 175.510 0.117 0.000 1.049 389 N CA -2.610 50.474 53.050 0.056 0.000 0.889 389 N CB 2.308 40.818 38.487 0.040 0.000 1.365 389 N HN -0.314 nan 8.380 nan 0.000 0.499 390 P HA -0.167 nan 4.420 nan 0.000 0.218 390 P C 1.460 178.831 177.300 0.118 0.000 1.152 390 P CA 1.652 64.828 63.100 0.126 0.000 0.857 390 P CB 0.179 31.935 31.700 0.094 0.000 0.787 391 M N -1.176 118.482 119.600 0.097 0.000 2.144 391 M HA -0.195 4.284 4.480 -0.001 0.000 0.260 391 M C 1.110 177.457 176.300 0.079 0.000 1.067 391 M CA 1.701 57.046 55.300 0.076 0.000 1.095 391 M CB -0.730 31.912 32.600 0.069 0.000 1.365 391 M HN -0.073 nan 8.290 nan 0.000 0.406 392 D N -0.412 120.039 120.400 0.085 0.000 2.363 392 D HA 0.018 4.657 4.640 -0.001 0.000 0.220 392 D C 0.156 176.499 176.300 0.072 0.000 0.994 392 D CA 0.330 54.364 54.000 0.057 0.000 0.890 392 D CB -0.238 40.579 40.800 0.028 0.000 0.906 392 D HN 0.205 nan 8.370 nan 0.000 0.530 393 F N 1.985 121.916 119.950 -0.033 0.000 2.538 393 F HA 0.152 4.680 4.527 0.002 0.000 0.371 393 F C -1.919 173.843 175.800 -0.064 0.000 1.087 393 F CA -2.023 55.942 58.000 -0.058 0.000 1.250 393 F CB 0.624 39.567 39.000 -0.095 0.000 1.110 393 F HN -0.255 nan 8.300 nan 0.000 0.570 394 P HA -0.070 nan 4.420 nan 0.000 0.262 394 P C -0.216 177.118 177.300 0.057 0.000 1.182 394 P CA 0.430 63.465 63.100 -0.109 0.000 0.761 394 P CB 0.555 32.108 31.700 -0.245 0.000 0.795 395 D N 0.820 121.242 120.400 0.036 0.000 2.234 395 D HA -0.086 4.553 4.640 -0.001 0.000 0.205 395 D C 0.611 176.924 176.300 0.021 0.000 0.962 395 D CA 1.173 55.196 54.000 0.038 0.000 0.855 395 D CB -0.226 40.580 40.800 0.011 0.000 0.951 395 D HN 0.354 nan 8.370 nan 0.000 0.500 396 N N 1.080 119.781 118.700 0.002 0.000 2.482 396 N HA 0.153 4.892 4.740 -0.001 0.000 0.242 396 N C 0.719 176.223 175.510 -0.011 0.000 1.100 396 N CA -0.111 52.936 53.050 -0.004 0.000 0.946 396 N CB 1.164 39.648 38.487 -0.005 0.000 1.227 396 N HN -0.113 nan 8.380 nan 0.000 0.508 397 A N 3.007 125.830 122.820 0.005 0.000 2.070 397 A HA -0.066 4.253 4.320 -0.001 0.000 0.220 397 A C 1.935 179.508 177.584 -0.018 0.000 1.159 397 A CA 1.590 53.632 52.037 0.008 0.000 0.656 397 A CB -0.453 18.556 19.000 0.014 0.000 0.800 397 A HN 0.662 nan 8.150 nan 0.000 0.453 398 G N -0.789 108.000 108.800 -0.019 0.000 2.471 398 G HA2 -0.030 3.929 3.960 -0.001 0.000 0.219 398 G HA3 -0.030 3.929 3.960 -0.001 0.000 0.219 398 G C 1.266 176.134 174.900 -0.054 0.000 1.125 398 G CA 0.960 46.044 45.100 -0.026 0.000 0.775 398 G HN 0.448 nan 8.290 nan 0.000 0.548 399 L N 0.630 121.816 121.223 -0.063 0.000 2.554 399 L HA 0.398 4.737 4.340 -0.001 0.000 0.226 399 L C 0.942 177.710 176.870 -0.170 0.000 1.137 399 L CA 0.011 54.786 54.840 -0.108 0.000 0.863 399 L CB -0.027 41.995 42.059 -0.061 0.000 0.985 399 L HN 0.060 nan 8.230 nan 0.000 0.451 400 I N -0.001 120.482 120.570 -0.145 0.000 2.337 400 I HA 0.017 4.187 4.170 -0.001 0.000 0.291 400 I C 1.092 177.122 176.117 -0.145 0.000 1.046 400 I CA 0.051 61.245 61.300 -0.176 0.000 1.324 400 I CB 0.856 38.769 38.000 -0.146 0.000 1.409 400 I HN 0.184 nan 8.210 nan 0.000 0.494 401 E N 5.631 125.709 120.200 -0.204 0.000 2.112 401 E HA -0.075 4.274 4.350 -0.001 0.000 0.190 401 E C -0.820 175.798 176.600 0.031 0.000 0.979 401 E CA 1.025 57.352 56.400 -0.122 0.000 0.814 401 E CB 0.340 29.933 29.700 -0.179 0.000 0.762 401 E HN 0.668 nan 8.360 nan 0.000 0.460 402 Y N -3.586 116.686 120.300 -0.047 0.000 2.810 402 Y HA 0.468 5.012 4.550 -0.010 0.000 0.355 402 Y C -1.596 174.311 175.900 0.012 0.000 1.211 402 Y CA -1.647 56.449 58.100 -0.007 0.000 1.112 402 Y CB 0.902 39.367 38.460 0.007 0.000 1.383 402 Y HN -0.257 nan 8.280 nan 0.000 0.458 403 V N 0.967 121.128 119.914 0.411 0.000 2.851 403 V HA 0.745 4.864 4.120 -0.001 0.000 0.307 403 V C -1.592 174.762 176.094 0.433 0.000 1.129 403 V CA -0.354 62.159 62.300 0.355 0.000 0.932 403 V CB 2.116 34.097 31.823 0.263 0.000 1.024 403 V HN 0.967 nan 8.190 nan 0.000 0.426 404 E N 4.079 124.570 120.200 0.484 0.000 2.263 404 E HA 0.675 5.024 4.350 -0.001 0.000 0.264 404 E C -1.304 175.666 176.600 0.617 0.000 0.923 404 E CA -0.801 55.894 56.400 0.492 0.000 0.802 404 E CB 2.598 32.589 29.700 0.484 0.000 1.228 404 E HN 0.892 nan 8.360 nan 0.000 0.417 405 E N 0.562 121.054 120.200 0.487 0.000 2.393 405 E HA 0.483 4.832 4.350 -0.001 0.000 0.273 405 E C -2.800 173.678 176.600 -0.204 0.000 0.918 405 E CA -2.513 54.013 56.400 0.210 0.000 0.773 405 E CB 2.136 31.979 29.700 0.238 0.000 1.275 405 E HN 0.109 nan 8.360 nan 0.000 0.451 406 P HA 0.167 nan 4.420 nan 0.000 0.276 406 P C -1.235 175.950 177.300 -0.192 0.000 1.230 406 P CA -0.144 62.642 63.100 -0.523 0.000 0.776 406 P CB 0.366 31.844 31.700 -0.370 0.000 0.888 407 F N 1.759 121.580 119.950 -0.215 0.000 2.556 407 F HA 0.487 5.012 4.527 -0.004 0.000 0.327 407 F C 0.497 176.204 175.800 -0.156 0.000 1.059 407 F CA -0.451 57.450 58.000 -0.166 0.000 0.953 407 F CB 2.022 40.928 39.000 -0.157 0.000 1.227 407 F HN 0.170 nan 8.300 nan 0.000 0.478 408 V N 0.829 120.763 119.914 0.033 0.000 3.078 408 V HA 0.685 4.804 4.120 -0.001 0.000 0.311 408 V C -1.626 174.518 176.094 0.083 0.000 1.138 408 V CA -1.143 61.191 62.300 0.056 0.000 1.007 408 V CB 1.829 33.658 31.823 0.009 0.000 1.045 408 V HN 0.626 nan 8.190 nan 0.000 0.432 409 L N 3.270 124.567 121.223 0.124 0.000 2.257 409 L HA 0.726 5.065 4.340 -0.001 0.000 0.290 409 L C -0.437 176.543 176.870 0.183 0.000 1.044 409 L CA 0.027 54.939 54.840 0.120 0.000 0.810 409 L CB 1.159 43.274 42.059 0.094 0.000 1.193 409 L HN 0.640 nan 8.230 nan 0.000 0.425 410 V N 3.856 123.868 119.914 0.163 0.000 2.394 410 V HA 0.541 4.660 4.120 -0.001 0.000 0.282 410 V C 0.304 176.507 176.094 0.180 0.000 1.031 410 V CA -0.406 62.023 62.300 0.216 0.000 0.881 410 V CB 1.460 33.353 31.823 0.117 0.000 0.982 410 V HN 0.875 nan 8.190 nan 0.000 0.451 411 T N 3.520 118.195 114.554 0.201 0.000 2.824 411 T HA 0.832 5.182 4.350 -0.001 0.000 0.280 411 T C -0.638 174.152 174.700 0.150 0.000 0.995 411 T CA -0.510 61.640 62.100 0.084 0.000 1.009 411 T CB 1.358 70.339 68.868 0.187 0.000 0.955 411 T HN 0.378 nan 8.240 nan 0.000 0.452 412 I N 2.697 123.276 120.570 0.016 0.000 2.582 412 I HA 0.495 4.664 4.170 -0.001 0.000 0.292 412 I C -0.704 175.457 176.117 0.074 0.000 1.066 412 I CA -1.185 60.190 61.300 0.124 0.000 1.053 412 I CB 2.230 40.308 38.000 0.131 0.000 1.241 412 I HN 0.561 nan 8.210 nan 0.000 0.421 413 I N 4.278 124.938 120.570 0.149 0.000 2.436 413 I HA 0.499 4.668 4.170 -0.001 0.000 0.289 413 I C -0.322 175.876 176.117 0.135 0.000 1.010 413 I CA -0.269 61.122 61.300 0.152 0.000 1.098 413 I CB 2.213 40.312 38.000 0.165 0.000 1.266 413 I HN 0.530 nan 8.210 nan 0.000 0.434 414 T N 6.301 120.933 114.554 0.130 0.000 2.889 414 T HA 0.486 4.835 4.350 -0.001 0.000 0.315 414 T C -2.867 171.927 174.700 0.155 0.000 1.291 414 T CA -1.702 60.495 62.100 0.162 0.000 1.028 414 T CB 2.265 71.237 68.868 0.174 0.000 1.235 414 T HN 0.104 nan 8.240 nan 0.000 0.491 415 P HA 0.206 nan 4.420 nan 0.000 0.271 415 P C 0.492 177.830 177.300 0.064 0.000 1.216 415 P CA -0.267 62.892 63.100 0.098 0.000 0.776 415 P CB 0.450 32.197 31.700 0.079 0.000 0.881 416 K N 4.126 124.550 120.400 0.039 0.000 2.218 416 K HA -0.220 4.099 4.320 -0.001 0.000 0.205 416 K C 1.143 177.720 176.600 -0.039 0.000 1.046 416 K CA 1.519 57.838 56.287 0.053 0.000 0.933 416 K CB -0.353 32.223 32.500 0.127 0.000 0.728 416 K HN 0.421 nan 8.250 nan 0.000 0.454 417 E N 0.620 120.699 120.200 -0.202 0.000 2.204 417 E HA -0.214 4.135 4.350 -0.001 0.000 0.195 417 E C 0.897 177.275 176.600 -0.370 0.000 0.990 417 E CA 1.208 57.391 56.400 -0.361 0.000 0.821 417 E CB -0.433 28.903 29.700 -0.606 0.000 0.750 417 E HN 0.626 nan 8.360 nan 0.000 0.477 418 Y N 0.332 120.657 120.300 0.042 0.000 2.458 418 Y HA 0.163 4.712 4.550 -0.001 0.000 0.256 418 Y C 2.208 178.120 175.900 0.020 0.000 1.159 418 Y CA -0.233 57.886 58.100 0.031 0.000 1.261 418 Y CB 0.004 38.488 38.460 0.040 0.000 1.119 418 Y HN -0.086 nan 8.280 nan 0.000 0.524 419 V N 0.528 120.519 119.914 0.128 0.000 2.278 419 V HA -0.287 3.832 4.120 -0.001 0.000 0.251 419 V C 2.252 178.392 176.094 0.077 0.000 1.062 419 V CA 2.677 65.032 62.300 0.091 0.000 1.038 419 V CB -0.848 31.011 31.823 0.061 0.000 0.646 419 V HN 0.501 nan 8.190 nan 0.000 0.447 420 G N -0.336 108.505 108.800 0.068 0.000 2.459 420 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.217 420 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.217 420 G C -0.123 174.805 174.900 0.046 0.000 1.183 420 G CA 1.139 46.272 45.100 0.055 0.000 0.776 420 G HN 0.567 nan 8.290 nan 0.000 0.552 421 P HA -0.001 nan 4.420 nan 0.000 0.217 421 P C 1.915 179.208 177.300 -0.012 0.000 1.150 421 P CA 0.662 63.780 63.100 0.029 0.000 0.832 421 P CB -0.014 31.723 31.700 0.062 0.000 0.787 422 I N -1.293 119.276 120.570 -0.002 0.000 2.202 422 I HA -0.217 3.952 4.170 -0.001 0.000 0.242 422 I C 2.273 178.338 176.117 -0.087 0.000 1.091 422 I CA 1.373 62.637 61.300 -0.060 0.000 1.368 422 I CB -0.555 37.431 38.000 -0.024 0.000 1.058 422 I HN -0.124 nan 8.210 nan 0.000 0.410 423 I N 0.543 121.099 120.570 -0.023 0.000 2.151 423 I HA -0.369 3.800 4.170 -0.001 0.000 0.243 423 I C 2.617 178.711 176.117 -0.038 0.000 1.080 423 I CA 1.688 62.987 61.300 -0.001 0.000 1.339 423 I CB -0.388 37.674 38.000 0.103 0.000 1.039 423 I HN 0.335 nan 8.210 nan 0.000 0.409 424 Q N -0.080 119.710 119.800 -0.017 0.000 2.170 424 Q HA -0.230 4.109 4.340 -0.001 0.000 0.203 424 Q C 2.218 178.188 176.000 -0.049 0.000 0.976 424 Q CA 1.333 57.124 55.803 -0.019 0.000 0.858 424 Q CB -0.201 28.532 28.738 -0.008 0.000 0.907 424 Q HN 0.435 nan 8.270 nan 0.000 0.433 425 L N -0.064 121.113 121.223 -0.077 0.000 2.027 425 L HA -0.132 4.208 4.340 -0.001 0.000 0.206 425 L C 2.092 178.920 176.870 -0.071 0.000 1.074 425 L CA 1.690 56.481 54.840 -0.081 0.000 0.745 425 L CB -0.705 41.275 42.059 -0.132 0.000 0.898 425 L HN 0.212 nan 8.230 nan 0.000 0.433 426 C N 0.401 119.602 119.300 -0.165 0.000 2.413 426 C HA -0.189 4.270 4.460 -0.001 0.000 0.276 426 C C 2.810 177.692 174.990 -0.181 0.000 1.248 426 C CA 1.175 60.013 59.018 -0.301 0.000 1.742 426 C CB -1.234 25.915 27.740 -0.985 0.000 2.017 426 C HN 0.770 nan 8.230 nan 0.000 0.481 427 Q N 1.009 120.752 119.800 -0.094 0.000 2.230 427 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 427 Q C 1.903 177.897 176.000 -0.010 0.000 0.963 427 Q CA 1.351 57.157 55.803 0.005 0.000 0.866 427 Q CB -0.561 28.211 28.738 0.056 0.000 0.931 427 Q HN 0.759 nan 8.270 nan 0.000 0.452 428 E N 2.010 122.195 120.200 -0.025 0.000 2.153 428 E HA -0.153 4.196 4.350 -0.001 0.000 0.194 428 E C 0.748 177.338 176.600 -0.017 0.000 0.988 428 E CA 0.808 57.195 56.400 -0.022 0.000 0.811 428 E CB 0.162 29.843 29.700 -0.031 0.000 0.746 428 E HN 0.314 nan 8.360 nan 0.000 0.466 429 K N 0.571 120.958 120.400 -0.021 0.000 2.708 429 K HA 0.167 4.487 4.320 -0.001 0.000 0.219 429 K C -0.406 176.168 176.600 -0.043 0.000 1.068 429 K CA -0.153 56.122 56.287 -0.021 0.000 1.212 429 K CB 0.179 32.668 32.500 -0.019 0.000 0.978 429 K HN 0.110 nan 8.250 nan 0.000 0.475 430 R N -0.695 119.791 120.500 -0.023 0.000 3.641 430 R HA -0.144 4.195 4.340 -0.001 0.000 0.286 430 R C 0.286 176.620 176.300 0.056 0.000 1.153 430 R CA 0.471 56.569 56.100 -0.003 0.000 0.775 430 R CB -2.215 28.069 30.300 -0.027 0.000 1.215 430 R HN 0.419 nan 8.270 nan 0.000 0.474 431 G N 0.479 109.318 108.800 0.064 0.000 2.395 431 G HA2 0.574 4.534 3.960 -0.001 0.000 0.283 431 G HA3 0.574 4.534 3.960 -0.001 0.000 0.283 431 G C 0.028 175.118 174.900 0.317 0.000 1.178 431 G CA -0.650 44.562 45.100 0.187 0.000 0.837 431 G HN 0.173 nan 8.290 nan 0.000 0.518 432 I N 1.364 122.108 120.570 0.290 0.000 2.354 432 I HA 0.178 4.347 4.170 -0.001 0.000 0.286 432 I C 0.435 176.474 176.117 -0.130 0.000 1.007 432 I CA -0.464 60.900 61.300 0.106 0.000 1.167 432 I CB 1.700 39.725 38.000 0.041 0.000 1.320 432 I HN 0.474 nan 8.210 nan 0.000 0.458 433 Q N 5.972 125.520 119.800 -0.419 0.000 2.311 433 Q HA 0.088 4.428 4.340 -0.001 0.000 0.272 433 Q C 0.264 176.003 176.000 -0.435 0.000 1.012 433 Q CA 0.196 55.414 55.803 -0.976 0.000 0.891 433 Q CB 0.884 29.158 28.738 -0.774 0.000 1.201 433 Q HN 0.475 nan 8.270 nan 0.000 0.391 434 K N 2.230 122.401 120.400 -0.382 0.000 2.425 434 K HA 0.201 4.520 4.320 -0.001 0.000 0.201 434 K C -0.387 176.133 176.600 -0.133 0.000 1.128 434 K CA 0.141 56.316 56.287 -0.187 0.000 1.000 434 K CB 0.466 32.894 32.500 -0.121 0.000 0.961 434 K HN 0.641 nan 8.250 nan 0.000 0.555 435 N N -0.308 118.294 118.700 -0.162 0.000 3.043 435 N HA 0.292 5.031 4.740 -0.001 0.000 0.243 435 N C -1.975 173.492 175.510 -0.073 0.000 1.347 435 N CA -0.434 52.578 53.050 -0.063 0.000 0.896 435 N CB 1.435 39.944 38.487 0.036 0.000 1.501 435 N HN -0.101 nan 8.380 nan 0.000 0.504 436 M N 2.016 121.613 119.600 -0.005 0.000 2.284 436 M HA 0.500 4.979 4.480 -0.001 0.000 0.281 436 M C -1.791 174.519 176.300 0.016 0.000 1.083 436 M CA -0.224 55.063 55.300 -0.022 0.000 0.965 436 M CB 1.643 34.202 32.600 -0.068 0.000 1.717 436 M HN 0.783 nan 8.290 nan 0.000 0.479 437 T N 0.368 114.939 114.554 0.029 0.000 2.843 437 T HA 0.587 4.936 4.350 -0.001 0.000 0.302 437 T C -1.636 172.985 174.700 -0.132 0.000 1.232 437 T CA -0.579 61.533 62.100 0.019 0.000 1.009 437 T CB 1.279 70.222 68.868 0.125 0.000 1.254 437 T HN 0.529 nan 8.240 nan 0.000 0.504 438 Y N 1.311 121.669 120.300 0.097 0.000 2.335 438 Y HA 0.472 5.022 4.550 -0.001 0.000 0.339 438 Y C 1.311 177.243 175.900 0.054 0.000 0.987 438 Y CA -1.086 57.059 58.100 0.076 0.000 1.140 438 Y CB 1.303 39.790 38.460 0.045 0.000 1.173 438 Y HN 0.507 nan 8.280 nan 0.000 0.486 439 L N 2.324 123.644 121.223 0.162 0.000 2.395 439 L HA 0.025 4.365 4.340 -0.001 0.000 0.218 439 L C -0.342 176.576 176.870 0.080 0.000 1.130 439 L CA 0.751 55.645 54.840 0.090 0.000 0.826 439 L CB -0.352 41.751 42.059 0.073 0.000 0.941 439 L HN 0.764 nan 8.230 nan 0.000 0.451 440 D N -4.340 116.133 120.400 0.122 0.000 2.804 440 D HA 0.087 4.726 4.640 -0.001 0.000 0.309 440 D C -2.436 173.923 176.300 0.098 0.000 1.311 440 D CA -0.996 53.050 54.000 0.077 0.000 0.765 440 D CB 0.308 41.130 40.800 0.037 0.000 1.293 440 D HN -0.361 nan 8.370 nan 0.000 0.434 441 P HA -0.112 nan 4.420 nan 0.000 0.223 441 P C -0.133 177.182 177.300 0.025 0.000 1.144 441 P CA 1.047 64.136 63.100 -0.018 0.000 0.783 441 P CB 0.097 31.771 31.700 -0.043 0.000 0.771 442 N N -1.353 117.383 118.700 0.060 0.000 2.170 442 N HA 0.079 4.818 4.740 -0.001 0.000 0.222 442 N C -0.223 175.344 175.510 0.095 0.000 1.218 442 N CA 0.258 53.343 53.050 0.059 0.000 0.889 442 N CB 1.029 39.515 38.487 -0.002 0.000 1.083 442 N HN 0.056 nan 8.380 nan 0.000 0.520 443 T N 0.959 115.601 114.554 0.147 0.000 2.841 443 T HA 0.436 4.785 4.350 -0.001 0.000 0.285 443 T C -0.148 174.635 174.700 0.139 0.000 0.991 443 T CA -0.364 61.812 62.100 0.126 0.000 0.966 443 T CB 2.698 71.620 68.868 0.090 0.000 0.962 443 T HN -0.310 nan 8.240 nan 0.000 0.438 444 V N 3.631 123.585 119.914 0.066 0.000 2.547 444 V HA 0.506 4.625 4.120 -0.001 0.000 0.299 444 V C -0.996 175.131 176.094 0.054 0.000 1.040 444 V CA -0.943 61.316 62.300 -0.068 0.000 0.913 444 V CB 1.526 33.253 31.823 -0.161 0.000 0.992 444 V HN 0.850 nan 8.190 nan 0.000 0.449 445 Y N 5.072 125.318 120.300 -0.091 0.000 2.352 445 Y HA 0.783 5.332 4.550 -0.002 0.000 0.339 445 Y C -0.992 174.906 175.900 -0.002 0.000 0.992 445 Y CA -0.742 57.356 58.100 -0.005 0.000 1.100 445 Y CB 1.363 39.831 38.460 0.014 0.000 1.192 445 Y HN 0.526 nan 8.280 nan 0.000 0.458 446 L N 5.427 126.313 121.223 -0.561 0.000 2.371 446 L HA 0.586 4.925 4.340 -0.001 0.000 0.262 446 L C -1.106 175.475 176.870 -0.483 0.000 1.006 446 L CA -0.903 53.719 54.840 -0.364 0.000 0.818 446 L CB 2.575 44.639 42.059 0.007 0.000 1.354 446 L HN 0.600 nan 8.230 nan 0.000 0.415 447 E N 1.299 121.334 120.200 -0.276 0.000 2.256 447 E HA 0.521 4.870 4.350 -0.001 0.000 0.268 447 E C -1.915 174.596 176.600 -0.149 0.000 0.877 447 E CA -0.658 55.651 56.400 -0.151 0.000 0.757 447 E CB 2.734 32.374 29.700 -0.100 0.000 1.183 447 E HN 0.317 nan 8.360 nan 0.000 0.418 448 Y N 0.668 120.944 120.300 -0.039 0.000 2.492 448 Y HA 0.214 4.763 4.550 -0.002 0.000 0.346 448 Y C -0.301 175.598 175.900 -0.002 0.000 0.997 448 Y CA -0.800 57.288 58.100 -0.021 0.000 1.025 448 Y CB 2.067 40.510 38.460 -0.029 0.000 1.263 448 Y HN 0.371 nan 8.280 nan 0.000 0.454 449 E N 4.550 124.844 120.200 0.156 0.000 2.146 449 E HA 0.553 4.902 4.350 -0.001 0.000 0.282 449 E C -1.037 175.704 176.600 0.235 0.000 0.989 449 E CA -0.401 56.099 56.400 0.167 0.000 0.799 449 E CB 1.387 31.155 29.700 0.114 0.000 1.088 449 E HN 0.532 nan 8.360 nan 0.000 0.397 450 M N 2.889 122.573 119.600 0.141 0.000 2.550 450 M HA 0.390 4.869 4.480 -0.001 0.000 0.292 450 M C -2.663 173.355 176.300 -0.470 0.000 1.221 450 M CA -2.364 52.890 55.300 -0.077 0.000 0.873 450 M CB 2.550 35.013 32.600 -0.228 0.000 1.727 450 M HN 0.121 nan 8.290 nan 0.000 0.459 451 P HA 0.078 nan 4.420 nan 0.000 0.276 451 P C 0.221 177.165 177.300 -0.593 0.000 1.230 451 P CA -0.385 62.031 63.100 -1.139 0.000 0.776 451 P CB 0.627 31.851 31.700 -0.793 0.000 0.888 452 L N 3.999 124.925 121.223 -0.496 0.000 2.131 452 L HA -0.178 4.161 4.340 -0.001 0.000 0.210 452 L C 2.051 178.751 176.870 -0.284 0.000 1.092 452 L CA 2.280 56.895 54.840 -0.375 0.000 0.759 452 L CB -1.363 40.538 42.059 -0.263 0.000 0.903 452 L HN 0.389 nan 8.230 nan 0.000 0.435 453 S N -1.542 114.010 115.700 -0.246 0.000 2.419 453 S HA -0.171 4.298 4.470 -0.001 0.000 0.235 453 S C 1.742 176.291 174.600 -0.086 0.000 1.019 453 S CA 1.213 59.335 58.200 -0.129 0.000 0.982 453 S CB -0.554 62.616 63.200 -0.050 0.000 0.789 453 S HN 0.590 nan 8.310 nan 0.000 0.490 454 E N 0.816 120.932 120.200 -0.140 0.000 2.170 454 E HA 0.123 4.472 4.350 -0.001 0.000 0.191 454 E C 2.000 178.525 176.600 -0.126 0.000 0.981 454 E CA 0.368 56.724 56.400 -0.074 0.000 0.830 454 E CB -0.160 29.469 29.700 -0.118 0.000 0.775 454 E HN 0.492 nan 8.360 nan 0.000 0.470 455 I N 1.523 121.923 120.570 -0.284 0.000 2.439 455 I HA -0.139 4.030 4.170 -0.001 0.000 0.251 455 I C 2.410 178.473 176.117 -0.091 0.000 1.139 455 I CA 0.780 61.854 61.300 -0.377 0.000 1.438 455 I CB -0.801 36.829 38.000 -0.616 0.000 1.085 455 I HN 0.097 nan 8.210 nan 0.000 0.427 456 I N -0.601 119.933 120.570 -0.060 0.000 3.564 456 I HA 0.090 4.260 4.170 -0.001 0.000 0.294 456 I C 0.638 176.797 176.117 0.069 0.000 1.289 456 I CA 0.156 61.472 61.300 0.028 0.000 1.325 456 I CB -0.157 37.849 38.000 0.010 0.000 1.039 456 I HN -0.043 nan 8.210 nan 0.000 0.474 457 V N 1.292 121.262 119.914 0.093 0.000 2.409 457 V HA 0.423 4.543 4.120 -0.001 0.000 0.290 457 V C 0.108 176.280 176.094 0.131 0.000 1.017 457 V CA -0.020 62.353 62.300 0.122 0.000 0.841 457 V CB 0.786 32.723 31.823 0.189 0.000 1.003 457 V HN 0.655 nan 8.190 nan 0.000 0.426 458 D N 2.754 123.217 120.400 0.105 0.000 2.997 458 D HA -0.384 4.255 4.640 -0.001 0.000 0.226 458 D C 0.268 176.621 176.300 0.089 0.000 1.189 458 D CA 2.168 56.214 54.000 0.077 0.000 0.834 458 D CB -2.212 38.597 40.800 0.015 0.000 1.105 458 D HN 0.798 nan 8.370 nan 0.000 0.415 459 F N 0.225 120.167 119.950 -0.013 0.000 2.187 459 F HA -0.090 4.437 4.527 0.001 0.000 0.295 459 F C 2.559 178.313 175.800 -0.076 0.000 1.091 459 F CA 1.573 59.520 58.000 -0.089 0.000 1.308 459 F CB -0.244 38.663 39.000 -0.155 0.000 1.030 459 F HN 0.217 nan 8.300 nan 0.000 0.487 460 H N 0.397 119.504 119.070 0.061 0.000 2.319 460 H HA -0.172 4.383 4.556 -0.001 0.000 0.299 460 H C 1.476 176.776 175.328 -0.047 0.000 1.092 460 H CA 2.301 58.405 56.048 0.092 0.000 1.302 460 H CB -0.425 29.512 29.762 0.290 0.000 1.373 460 H HN 0.268 nan 8.280 nan 0.000 0.497 461 D N 0.474 120.925 120.400 0.086 0.000 2.097 461 D HA -0.099 4.540 4.640 -0.001 0.000 0.197 461 D C 2.332 178.536 176.300 -0.160 0.000 0.984 461 D CA 0.780 54.775 54.000 -0.008 0.000 0.826 461 D CB -0.120 40.709 40.800 0.047 0.000 0.973 461 D HN 0.188 nan 8.370 nan 0.000 0.460 462 K N 0.700 120.985 120.400 -0.191 0.000 2.020 462 K HA -0.099 4.220 4.320 -0.001 0.000 0.212 462 K C 1.990 178.390 176.600 -0.333 0.000 1.050 462 K CA 0.438 56.582 56.287 -0.239 0.000 0.929 462 K CB -0.471 31.883 32.500 -0.244 0.000 0.714 462 K HN 0.073 nan 8.250 nan 0.000 0.443 463 I N 0.652 120.910 120.570 -0.521 0.000 2.286 463 I HA -0.253 3.916 4.170 -0.001 0.000 0.248 463 I C 1.609 177.506 176.117 -0.367 0.000 1.115 463 I CA 1.483 62.458 61.300 -0.541 0.000 1.392 463 I CB -0.296 37.186 38.000 -0.864 0.000 1.065 463 I HN 0.087 nan 8.210 nan 0.000 0.418 464 K N 0.928 121.117 120.400 -0.352 0.000 2.007 464 K HA -0.087 4.232 4.320 -0.001 0.000 0.206 464 K C 2.303 178.746 176.600 -0.261 0.000 1.047 464 K CA 1.714 57.826 56.287 -0.292 0.000 0.937 464 K CB -0.498 31.831 32.500 -0.286 0.000 0.718 464 K HN 0.434 nan 8.250 nan 0.000 0.438 465 S N 1.208 116.776 115.700 -0.219 0.000 2.368 465 S HA -0.163 4.307 4.470 -0.001 0.000 0.225 465 S C 2.038 176.508 174.600 -0.216 0.000 1.030 465 S CA 1.408 59.495 58.200 -0.187 0.000 0.999 465 S CB -0.923 62.196 63.200 -0.134 0.000 0.844 465 S HN 0.471 nan 8.310 nan 0.000 0.459 466 I N 1.136 121.568 120.570 -0.229 0.000 2.916 466 I HA 0.041 4.211 4.170 -0.001 0.000 0.267 466 I C 1.730 177.577 176.117 -0.449 0.000 1.263 466 I CA 1.236 62.400 61.300 -0.227 0.000 1.471 466 I CB -0.484 37.420 38.000 -0.161 0.000 1.089 466 I HN 0.449 nan 8.210 nan 0.000 0.468 467 S N 0.370 115.739 115.700 -0.551 0.000 2.593 467 S HA 0.326 4.795 4.470 -0.001 0.000 0.236 467 S C 0.875 175.050 174.600 -0.709 0.000 0.991 467 S CA -0.652 56.981 58.200 -0.945 0.000 0.963 467 S CB -0.027 62.906 63.200 -0.445 0.000 0.865 467 S HN 0.544 nan 8.310 nan 0.000 0.488 468 R N 0.418 120.606 120.500 -0.521 0.000 3.863 468 R HA -0.188 4.151 4.340 -0.001 0.000 0.313 468 R C 1.112 176.978 176.300 -0.723 0.000 1.202 468 R CA 0.595 56.403 56.100 -0.487 0.000 0.852 468 R CB -2.513 27.585 30.300 -0.337 0.000 1.292 468 R HN 1.286 nan 8.270 nan 0.000 0.519 469 G N -1.001 107.505 108.800 -0.490 0.000 2.159 469 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.256 469 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.256 469 G C 0.401 175.116 174.900 -0.310 0.000 0.977 469 G CA 0.442 45.315 45.100 -0.377 0.000 0.652 469 G HN 0.320 nan 8.290 nan 0.000 0.531 470 F N 1.101 120.999 119.950 -0.088 0.000 2.569 470 F HA 0.573 5.099 4.527 -0.001 0.000 0.295 470 F C 1.981 177.783 175.800 0.003 0.000 1.115 470 F CA 0.168 58.160 58.000 -0.014 0.000 1.450 470 F CB -0.096 38.934 39.000 0.049 0.000 1.107 470 F HN 0.403 nan 8.300 nan 0.000 0.563 471 A N 0.336 123.227 122.820 0.119 0.000 2.331 471 A HA 0.585 4.904 4.320 -0.001 0.000 0.283 471 A C 0.269 177.924 177.584 0.119 0.000 1.142 471 A CA -0.126 51.977 52.037 0.110 0.000 0.812 471 A CB 0.115 19.145 19.000 0.050 0.000 1.074 471 A HN 0.195 nan 8.150 nan 0.000 0.497 472 S N 0.751 116.545 115.700 0.158 0.000 2.600 472 S HA 0.880 5.349 4.470 -0.001 0.000 0.300 472 S C -0.734 174.043 174.600 0.294 0.000 1.087 472 S CA -0.559 57.763 58.200 0.204 0.000 0.965 472 S CB 1.271 64.574 63.200 0.171 0.000 1.089 472 S HN 1.477 nan 8.310 nan 0.000 0.496 473 Y N -1.094 119.313 120.300 0.180 0.000 2.625 473 Y HA 0.868 5.417 4.550 -0.002 0.000 0.338 473 Y C -1.388 174.617 175.900 0.176 0.000 1.123 473 Y CA -0.907 57.310 58.100 0.195 0.000 1.046 473 Y CB 1.229 39.850 38.460 0.268 0.000 1.299 473 Y HN 0.751 nan 8.280 nan 0.000 0.464 474 D N 0.040 120.586 120.400 0.243 0.000 2.583 474 D HA 0.614 5.253 4.640 -0.001 0.000 0.248 474 D C -1.851 174.601 176.300 0.254 0.000 1.209 474 D CA -0.353 53.679 54.000 0.053 0.000 0.848 474 D CB 2.424 43.231 40.800 0.012 0.000 1.431 474 D HN 0.678 nan 8.370 nan 0.000 0.436 475 Y N -1.152 119.226 120.300 0.130 0.000 2.656 475 Y HA 0.642 5.191 4.550 -0.003 0.000 0.334 475 Y C -1.799 174.166 175.900 0.109 0.000 1.179 475 Y CA -1.106 57.070 58.100 0.127 0.000 1.050 475 Y CB 0.999 39.535 38.460 0.127 0.000 1.308 475 Y HN 0.379 nan 8.280 nan 0.000 0.456 476 E N 1.882 122.295 120.200 0.355 0.000 2.308 476 E HA 0.397 4.746 4.350 -0.001 0.000 0.275 476 E C -1.861 174.927 176.600 0.312 0.000 0.890 476 E CA -0.966 55.601 56.400 0.279 0.000 0.754 476 E CB 2.379 32.181 29.700 0.169 0.000 1.207 476 E HN 0.614 nan 8.360 nan 0.000 0.426 477 F N 4.527 124.586 119.950 0.182 0.000 2.608 477 F HA 0.106 4.629 4.527 -0.007 0.000 0.380 477 F C 0.705 176.569 175.800 0.107 0.000 1.083 477 F CA 0.138 58.215 58.000 0.128 0.000 1.266 477 F CB 0.566 39.633 39.000 0.110 0.000 1.076 477 F HN 0.606 nan 8.300 nan 0.000 0.574 478 I N 2.982 123.177 120.570 -0.625 0.000 4.147 478 I HA 0.635 4.804 4.170 -0.001 0.000 0.329 478 I C 0.506 176.185 176.117 -0.730 0.000 1.424 478 I CA 0.247 61.249 61.300 -0.496 0.000 1.127 478 I CB -0.185 37.699 38.000 -0.192 0.000 1.128 478 I HN 0.841 nan 8.210 nan 0.000 0.417 479 G N 1.032 108.871 108.800 -1.601 0.000 2.462 479 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.685 479 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.685 479 G C -1.521 173.270 174.900 -0.182 0.000 1.295 479 G CA -0.907 43.732 45.100 -0.769 0.000 0.941 479 G HN 0.126 nan 8.290 nan 0.000 0.554 480 Y N 0.710 121.069 120.300 0.098 0.000 2.310 480 Y HA 0.741 5.301 4.550 0.017 0.000 0.326 480 Y C 1.355 177.312 175.900 0.095 0.000 1.151 480 Y CA -0.002 58.215 58.100 0.197 0.000 1.195 480 Y CB 1.482 40.075 38.460 0.222 0.000 1.210 480 Y HN 0.560 nan 8.280 nan 0.000 0.483 481 R N 3.639 124.283 120.500 0.240 0.000 2.673 481 R HA 0.381 4.720 4.340 -0.001 0.000 0.281 481 R C -2.976 173.430 176.300 0.177 0.000 0.991 481 R CA -2.204 53.933 56.100 0.061 0.000 0.896 481 R CB 2.064 32.182 30.300 -0.303 0.000 1.201 481 R HN 0.365 nan 8.270 nan 0.000 0.457 482 P HA 0.112 nan 4.420 nan 0.000 0.276 482 P C -0.888 176.505 177.300 0.155 0.000 1.230 482 P CA -0.059 63.108 63.100 0.113 0.000 0.776 482 P CB 1.334 33.005 31.700 -0.048 0.000 0.888 483 S N 1.090 116.917 115.700 0.212 0.000 2.618 483 S HA 0.239 4.708 4.470 -0.001 0.000 0.277 483 S C -0.853 173.809 174.600 0.103 0.000 1.138 483 S CA -0.558 57.770 58.200 0.214 0.000 0.844 483 S CB 1.239 64.641 63.200 0.337 0.000 1.127 483 S HN 0.418 nan 8.310 nan 0.000 0.474 484 D N 2.293 122.674 120.400 -0.031 0.000 2.558 484 D HA 0.291 4.930 4.640 -0.001 0.000 0.221 484 D C -0.738 175.317 176.300 -0.408 0.000 1.143 484 D CA -0.146 53.726 54.000 -0.213 0.000 1.010 484 D CB -0.476 40.184 40.800 -0.235 0.000 1.068 484 D HN 0.137 nan 8.370 nan 0.000 0.511 485 L N 3.303 124.422 121.223 -0.173 0.000 2.344 485 L HA 0.597 4.937 4.340 -0.001 0.000 0.272 485 L C 0.646 177.394 176.870 -0.203 0.000 1.035 485 L CA -0.995 53.722 54.840 -0.205 0.000 0.807 485 L CB 1.091 43.043 42.059 -0.178 0.000 1.237 485 L HN 0.319 nan 8.230 nan 0.000 0.442 486 I N -1.278 119.101 120.570 -0.318 0.000 3.095 486 I HA 0.533 4.702 4.170 -0.001 0.000 0.310 486 I C -0.729 175.053 176.117 -0.559 0.000 1.196 486 I CA -1.082 60.019 61.300 -0.331 0.000 0.985 486 I CB 2.670 40.552 38.000 -0.197 0.000 1.250 486 I HN 0.480 nan 8.210 nan 0.000 0.446 487 K N 3.705 123.779 120.400 -0.543 0.000 2.211 487 K HA 0.640 4.959 4.320 -0.001 0.000 0.275 487 K C -1.596 174.732 176.600 -0.454 0.000 1.024 487 K CA -0.564 55.373 56.287 -0.584 0.000 0.887 487 K CB 1.188 33.434 32.500 -0.422 0.000 1.084 487 K HN 0.660 nan 8.250 nan 0.000 0.463 488 L N 3.663 124.496 121.223 -0.650 0.000 2.329 488 L HA 0.422 4.761 4.340 -0.001 0.000 0.279 488 L C 0.087 176.626 176.870 -0.551 0.000 1.014 488 L CA -0.903 53.550 54.840 -0.646 0.000 0.814 488 L CB 2.015 43.483 42.059 -0.985 0.000 1.257 488 L HN 0.802 nan 8.230 nan 0.000 0.424 489 T N -0.354 114.022 114.554 -0.298 0.000 2.888 489 T HA 0.688 5.037 4.350 -0.001 0.000 0.284 489 T C -0.430 174.217 174.700 -0.087 0.000 1.017 489 T CA -0.738 61.263 62.100 -0.164 0.000 1.022 489 T CB 2.074 70.878 68.868 -0.106 0.000 1.013 489 T HN 0.170 nan 8.240 nan 0.000 0.465 490 V N 3.210 123.114 119.914 -0.016 0.000 2.435 490 V HA 0.496 4.615 4.120 -0.001 0.000 0.290 490 V C -0.260 175.825 176.094 -0.016 0.000 1.030 490 V CA -0.860 61.451 62.300 0.019 0.000 0.881 490 V CB 1.185 33.059 31.823 0.084 0.000 0.983 490 V HN 0.800 nan 8.190 nan 0.000 0.445 491 L N 5.909 127.108 121.223 -0.040 0.000 2.341 491 L HA 0.622 4.961 4.340 -0.001 0.000 0.278 491 L C -0.685 176.142 176.870 -0.070 0.000 1.005 491 L CA -0.371 54.431 54.840 -0.064 0.000 0.818 491 L CB 1.944 43.946 42.059 -0.095 0.000 1.259 491 L HN 0.485 nan 8.230 nan 0.000 0.418 492 I N 3.444 123.984 120.570 -0.050 0.000 2.405 492 I HA 0.251 4.420 4.170 -0.001 0.000 0.280 492 I C -0.218 175.882 176.117 -0.027 0.000 1.027 492 I CA -0.332 60.949 61.300 -0.031 0.000 1.161 492 I CB 0.666 38.656 38.000 -0.017 0.000 1.300 492 I HN 0.755 nan 8.210 nan 0.000 0.463 493 N N 5.860 124.549 118.700 -0.018 0.000 2.771 493 N HA -0.171 4.569 4.740 -0.001 0.000 0.249 493 N C -0.102 175.397 175.510 -0.017 0.000 1.069 493 N CA -0.024 53.035 53.050 0.014 0.000 0.688 493 N CB -0.303 38.193 38.487 0.014 0.000 0.928 493 N HN 0.572 nan 8.380 nan 0.000 0.551 494 K N -2.680 117.688 120.400 -0.054 0.000 3.426 494 K HA -0.210 4.109 4.320 -0.001 0.000 0.315 494 K C -0.596 175.978 176.600 -0.044 0.000 1.293 494 K CA 1.468 57.726 56.287 -0.049 0.000 0.955 494 K CB -1.294 31.196 32.500 -0.017 0.000 1.238 494 K HN 0.610 nan 8.250 nan 0.000 0.441 495 K N 1.493 121.866 120.400 -0.045 0.000 2.425 495 K HA 0.267 4.587 4.320 -0.001 0.000 0.259 495 K C -2.454 174.121 176.600 -0.041 0.000 0.978 495 K CA -1.824 54.439 56.287 -0.041 0.000 0.883 495 K CB 2.299 34.775 32.500 -0.041 0.000 1.110 495 K HN -0.120 nan 8.250 nan 0.000 0.436 496 P HA -0.022 nan 4.420 nan 0.000 0.271 496 P C -0.320 176.962 177.300 -0.030 0.000 1.220 496 P CA -0.335 62.745 63.100 -0.034 0.000 0.768 496 P CB 1.150 32.830 31.700 -0.034 0.000 0.848 497 V N 2.996 122.896 119.914 -0.024 0.000 2.293 497 V HA 0.182 4.301 4.120 -0.001 0.000 0.275 497 V C 0.883 176.972 176.094 -0.008 0.000 1.021 497 V CA -0.392 61.892 62.300 -0.026 0.000 0.815 497 V CB 0.299 32.101 31.823 -0.035 0.000 1.025 497 V HN 0.332 nan 8.190 nan 0.000 0.448 498 D N 5.267 125.664 120.400 -0.005 0.000 2.203 498 D HA -0.208 4.431 4.640 -0.001 0.000 0.199 498 D C 2.001 178.328 176.300 0.045 0.000 0.997 498 D CA 1.836 55.846 54.000 0.017 0.000 0.863 498 D CB -0.103 40.710 40.800 0.021 0.000 0.928 498 D HN 0.801 nan 8.370 nan 0.000 0.458 499 A N 0.216 123.057 122.820 0.035 0.000 2.178 499 A HA -0.050 4.269 4.320 -0.001 0.000 0.218 499 A C 2.169 179.804 177.584 0.084 0.000 1.157 499 A CA 0.647 52.725 52.037 0.068 0.000 0.689 499 A CB -0.464 18.520 19.000 -0.026 0.000 0.787 499 A HN 0.251 nan 8.150 nan 0.000 0.465 500 L N 0.062 121.331 121.223 0.076 0.000 2.616 500 L HA 0.080 4.420 4.340 -0.001 0.000 0.229 500 L C 0.949 177.960 176.870 0.234 0.000 1.110 500 L CA 0.148 55.067 54.840 0.131 0.000 0.884 500 L CB -0.001 42.117 42.059 0.098 0.000 1.115 500 L HN 0.416 nan 8.230 nan 0.000 0.481 501 S N 1.207 116.985 115.700 0.130 0.000 2.572 501 S HA 0.378 4.847 4.470 -0.001 0.000 0.279 501 S C -0.377 174.308 174.600 0.142 0.000 1.341 501 S CA -0.494 57.731 58.200 0.041 0.000 1.043 501 S CB 0.513 63.687 63.200 -0.043 0.000 0.887 501 S HN 0.203 nan 8.310 nan 0.000 0.516 502 F N -0.861 119.019 119.950 -0.117 0.000 2.662 502 F HA 0.744 5.270 4.527 -0.002 0.000 0.312 502 F C -1.352 174.270 175.800 -0.296 0.000 1.113 502 F CA -1.852 56.051 58.000 -0.162 0.000 0.951 502 F CB 0.773 39.684 39.000 -0.148 0.000 1.344 502 F HN 0.321 nan 8.300 nan 0.000 0.462 503 I N 3.077 123.536 120.570 -0.184 0.000 2.377 503 I HA 0.713 4.883 4.170 -0.001 0.000 0.293 503 I C -0.390 175.565 176.117 -0.269 0.000 0.987 503 I CA -1.009 59.996 61.300 -0.491 0.000 1.185 503 I CB 1.005 38.485 38.000 -0.867 0.000 1.341 503 I HN 0.712 nan 8.210 nan 0.000 0.455 504 V N 5.607 125.340 119.914 -0.301 0.000 3.114 504 V HA 0.424 4.543 4.120 -0.001 0.000 0.308 504 V C -0.662 175.384 176.094 -0.079 0.000 1.168 504 V CA -0.645 61.556 62.300 -0.165 0.000 1.015 504 V CB 2.419 34.166 31.823 -0.126 0.000 1.050 504 V HN 0.842 nan 8.190 nan 0.000 0.433 505 H N 3.128 122.187 119.070 -0.018 0.000 2.732 505 H HA 0.355 4.911 4.556 -0.001 0.000 0.351 505 H C 1.098 176.442 175.328 0.028 0.000 1.090 505 H CA 0.662 56.724 56.048 0.024 0.000 1.431 505 H CB 2.066 31.870 29.762 0.070 0.000 1.447 505 H HN 0.926 nan 8.280 nan 0.000 0.582 506 A N 4.458 127.144 122.820 -0.223 0.000 1.948 506 A HA -0.223 4.097 4.320 -0.001 0.000 0.220 506 A C 1.855 179.549 177.584 0.184 0.000 1.177 506 A CA 1.932 53.953 52.037 -0.028 0.000 0.636 506 A CB -0.181 18.756 19.000 -0.105 0.000 0.815 506 A HN 0.807 nan 8.150 nan 0.000 0.449 507 D N -0.914 119.772 120.400 0.477 0.000 2.312 507 D HA -0.053 4.586 4.640 -0.001 0.000 0.211 507 D C 1.833 178.254 176.300 0.202 0.000 0.964 507 D CA 0.750 54.918 54.000 0.281 0.000 0.877 507 D CB -0.202 40.712 40.800 0.190 0.000 0.924 507 D HN 0.517 nan 8.370 nan 0.000 0.515 508 R N 0.234 120.891 120.500 0.262 0.000 2.334 508 R HA 0.316 4.655 4.340 -0.001 0.000 0.212 508 R C 1.956 178.441 176.300 0.308 0.000 0.897 508 R CA 0.254 56.510 56.100 0.260 0.000 1.056 508 R CB 0.308 30.818 30.300 0.350 0.000 1.046 508 R HN -0.001 nan 8.270 nan 0.000 0.513 509 A N 1.771 124.730 122.820 0.232 0.000 1.884 509 A HA -0.328 3.991 4.320 -0.001 0.000 0.219 509 A C 2.170 179.872 177.584 0.197 0.000 1.197 509 A CA 1.882 54.035 52.037 0.193 0.000 0.637 509 A CB -0.476 18.567 19.000 0.073 0.000 0.827 509 A HN 0.190 nan 8.150 nan 0.000 0.450 510 Q N -0.153 119.727 119.800 0.133 0.000 2.077 510 Q HA -0.195 4.145 4.340 -0.001 0.000 0.206 510 Q C 2.031 178.097 176.000 0.109 0.000 0.989 510 Q CA 2.449 58.313 55.803 0.102 0.000 0.853 510 Q CB -0.284 28.496 28.738 0.070 0.000 0.907 510 Q HN 0.706 nan 8.270 nan 0.000 0.418 511 K N -1.063 119.396 120.400 0.099 0.000 2.002 511 K HA -0.129 4.190 4.320 -0.001 0.000 0.209 511 K C 2.087 178.706 176.600 0.032 0.000 1.048 511 K CA 1.446 57.751 56.287 0.029 0.000 0.930 511 K CB -0.358 32.121 32.500 -0.034 0.000 0.714 511 K HN 0.203 nan 8.250 nan 0.000 0.438 512 F N 1.178 121.182 119.950 0.089 0.000 2.161 512 F HA -0.261 4.266 4.527 0.000 0.000 0.300 512 F C 2.464 178.357 175.800 0.154 0.000 1.089 512 F CA 1.237 59.302 58.000 0.109 0.000 1.282 512 F CB -0.258 38.871 39.000 0.215 0.000 1.010 512 F HN 0.085 nan 8.300 nan 0.000 0.485 513 A N 0.009 123.056 122.820 0.377 0.000 1.865 513 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 513 A C 2.144 179.833 177.584 0.175 0.000 1.191 513 A CA 1.910 54.118 52.037 0.286 0.000 0.623 513 A CB -0.618 18.486 19.000 0.174 0.000 0.826 513 A HN 0.208 nan 8.150 nan 0.000 0.444 514 R N -0.594 119.973 120.500 0.112 0.000 2.080 514 R HA -0.098 4.242 4.340 -0.001 0.000 0.236 514 R C 2.423 178.747 176.300 0.040 0.000 1.137 514 R CA 1.806 57.942 56.100 0.061 0.000 0.943 514 R CB -0.685 29.634 30.300 0.032 0.000 0.846 514 R HN 0.665 nan 8.270 nan 0.000 0.431 515 R N 0.184 120.690 120.500 0.009 0.000 2.097 515 R HA -0.159 4.180 4.340 -0.001 0.000 0.236 515 R C 1.935 178.237 176.300 0.004 0.000 1.135 515 R CA 2.243 58.323 56.100 -0.033 0.000 0.934 515 R CB -0.568 29.653 30.300 -0.131 0.000 0.846 515 R HN 0.117 nan 8.270 nan 0.000 0.431 516 V N 1.246 121.186 119.914 0.043 0.000 2.332 516 V HA -0.276 3.843 4.120 -0.001 0.000 0.248 516 V C 2.581 178.709 176.094 0.058 0.000 1.055 516 V CA 1.997 64.320 62.300 0.038 0.000 1.038 516 V CB -0.903 30.955 31.823 0.059 0.000 0.651 516 V HN 0.609 nan 8.190 nan 0.000 0.450 517 A N -0.237 122.631 122.820 0.080 0.000 1.858 517 A HA -0.250 4.069 4.320 -0.001 0.000 0.216 517 A C 2.169 179.781 177.584 0.048 0.000 1.190 517 A CA 1.912 53.990 52.037 0.069 0.000 0.617 517 A CB -0.558 18.487 19.000 0.075 0.000 0.827 517 A HN 0.607 nan 8.150 nan 0.000 0.443 518 E N -0.696 119.526 120.200 0.036 0.000 2.204 518 E HA -0.182 4.167 4.350 -0.001 0.000 0.195 518 E C 2.012 178.621 176.600 0.014 0.000 0.990 518 E CA 1.257 57.671 56.400 0.023 0.000 0.821 518 E CB -0.064 29.644 29.700 0.012 0.000 0.750 518 E HN 0.668 nan 8.360 nan 0.000 0.477 519 K N 0.528 120.934 120.400 0.010 0.000 2.076 519 K HA -0.097 4.223 4.320 -0.001 0.000 0.204 519 K C 2.025 178.631 176.600 0.009 0.000 1.051 519 K CA 0.375 56.663 56.287 0.002 0.000 0.949 519 K CB 0.088 32.583 32.500 -0.009 0.000 0.726 519 K HN 0.001 nan 8.250 nan 0.000 0.443 520 L N 2.128 123.361 121.223 0.018 0.000 2.093 520 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 520 L C 2.318 179.202 176.870 0.023 0.000 1.085 520 L CA 1.614 56.466 54.840 0.021 0.000 0.755 520 L CB -0.506 41.572 42.059 0.030 0.000 0.904 520 L HN 0.218 nan 8.230 nan 0.000 0.435 521 R N -0.427 120.090 120.500 0.029 0.000 2.091 521 R HA -0.165 4.174 4.340 -0.001 0.000 0.238 521 R C 1.584 177.897 176.300 0.022 0.000 1.136 521 R CA 1.959 58.078 56.100 0.031 0.000 0.959 521 R CB -0.885 29.436 30.300 0.034 0.000 0.856 521 R HN 0.406 nan 8.270 nan 0.000 0.437 522 E N 0.058 120.268 120.200 0.016 0.000 2.489 522 E HA 0.024 4.373 4.350 -0.001 0.000 0.193 522 E C 0.527 177.133 176.600 0.009 0.000 1.057 522 E CA 0.731 57.138 56.400 0.011 0.000 0.866 522 E CB 0.563 30.267 29.700 0.007 0.000 0.916 522 E HN 0.415 nan 8.360 nan 0.000 0.500 523 T N 0.828 115.389 114.554 0.011 0.000 3.014 523 T HA 0.146 4.495 4.350 -0.001 0.000 0.250 523 T C 0.813 175.519 174.700 0.010 0.000 1.060 523 T CA 0.018 62.123 62.100 0.009 0.000 1.040 523 T CB 0.154 69.026 68.868 0.007 0.000 0.971 523 T HN 0.174 nan 8.240 nan 0.000 0.497 524 I N 0.917 121.496 120.570 0.014 0.000 2.389 524 I HA 0.574 4.743 4.170 -0.001 0.000 0.288 524 I C -2.781 173.347 176.117 0.019 0.000 0.999 524 I CA -2.860 58.449 61.300 0.015 0.000 1.129 524 I CB 1.829 39.840 38.000 0.018 0.000 1.288 524 I HN -0.220 nan 8.210 nan 0.000 0.444 525 P HA 0.246 nan 4.420 nan 0.000 0.272 525 P C -0.543 176.772 177.300 0.026 0.000 1.240 525 P CA -0.314 62.797 63.100 0.020 0.000 0.791 525 P CB 0.885 32.595 31.700 0.017 0.000 0.978 526 R N 0.347 120.862 120.500 0.026 0.000 2.738 526 R HA 0.258 4.597 4.340 -0.001 0.000 0.275 526 R C 0.573 176.899 176.300 0.043 0.000 1.121 526 R CA -0.018 56.102 56.100 0.033 0.000 1.207 526 R CB 0.217 30.531 30.300 0.024 0.000 1.141 526 R HN 0.658 nan 8.270 nan 0.000 0.571 527 Q N -0.960 118.874 119.800 0.057 0.000 2.702 527 Q HA 0.145 4.484 4.340 -0.001 0.000 0.289 527 Q C 0.047 176.100 176.000 0.087 0.000 0.923 527 Q CA -0.814 55.038 55.803 0.082 0.000 0.787 527 Q CB 0.525 29.330 28.738 0.112 0.000 1.476 527 Q HN 0.445 nan 8.270 nan 0.000 0.402 528 L N -0.192 121.086 121.223 0.091 0.000 2.137 528 L HA -0.083 4.256 4.340 -0.001 0.000 0.213 528 L C 0.173 176.963 176.870 -0.133 0.000 1.085 528 L CA 1.475 56.299 54.840 -0.027 0.000 0.760 528 L CB -0.230 41.795 42.059 -0.057 0.000 0.893 528 L HN 0.486 nan 8.230 nan 0.000 0.434 529 F N -0.683 119.270 119.950 0.005 0.000 2.397 529 F HA 0.236 4.762 4.527 -0.001 0.000 0.331 529 F C 0.812 176.618 175.800 0.010 0.000 1.090 529 F CA -0.995 57.010 58.000 0.007 0.000 1.065 529 F CB 0.612 39.618 39.000 0.010 0.000 1.184 529 F HN -0.151 nan 8.300 nan 0.000 0.499 530 E N 1.505 121.808 120.200 0.172 0.000 2.376 530 E HA 0.232 4.581 4.350 -0.001 0.000 0.266 530 E C -1.287 175.394 176.600 0.135 0.000 1.009 530 E CA -0.225 56.239 56.400 0.106 0.000 0.902 530 E CB 0.855 30.591 29.700 0.059 0.000 0.972 530 E HN 0.394 nan 8.360 nan 0.000 0.439 531 V N 5.966 125.945 119.914 0.108 0.000 2.318 531 V HA 0.111 4.231 4.120 -0.001 0.000 0.271 531 V C -0.058 176.126 176.094 0.150 0.000 1.030 531 V CA -0.431 61.937 62.300 0.113 0.000 0.844 531 V CB 0.705 32.577 31.823 0.082 0.000 1.015 531 V HN 0.641 nan 8.190 nan 0.000 0.460 532 H N 5.740 124.831 119.070 0.035 0.000 2.552 532 H HA 0.562 5.118 4.556 -0.001 0.000 0.311 532 H C -0.737 174.605 175.328 0.023 0.000 1.071 532 H CA -0.825 55.240 56.048 0.028 0.000 1.307 532 H CB 0.940 30.718 29.762 0.027 0.000 1.416 532 H HN 0.552 nan 8.280 nan 0.000 0.464 533 I N 5.274 125.930 120.570 0.144 0.000 2.354 533 I HA 0.194 4.363 4.170 -0.001 0.000 0.292 533 I C -0.519 175.546 176.117 -0.087 0.000 0.989 533 I CA -0.413 60.889 61.300 0.003 0.000 1.188 533 I CB 1.689 39.722 38.000 0.056 0.000 1.342 533 I HN 0.554 nan 8.210 nan 0.000 0.457 534 Q N 4.984 124.695 119.800 -0.148 0.000 2.347 534 Q HA 0.578 4.917 4.340 -0.001 0.000 0.271 534 Q C -1.401 174.570 176.000 -0.048 0.000 1.064 534 Q CA -0.838 54.885 55.803 -0.133 0.000 0.800 534 Q CB 3.577 32.168 28.738 -0.244 0.000 1.304 534 Q HN 0.380 nan 8.270 nan 0.000 0.438 535 V N 1.677 121.586 119.914 -0.007 0.000 2.357 535 V HA 0.706 4.825 4.120 -0.001 0.000 0.284 535 V C -0.513 175.565 176.094 -0.028 0.000 1.018 535 V CA -0.432 61.875 62.300 0.012 0.000 0.841 535 V CB 1.152 33.026 31.823 0.084 0.000 0.991 535 V HN 0.840 nan 8.190 nan 0.000 0.437 536 A N 4.735 127.517 122.820 -0.065 0.000 2.337 536 A HA 0.826 5.146 4.320 -0.001 0.000 0.331 536 A C -0.332 177.190 177.584 -0.103 0.000 1.137 536 A CA -0.808 51.187 52.037 -0.070 0.000 0.807 536 A CB 1.347 20.309 19.000 -0.065 0.000 1.250 536 A HN 0.737 nan 8.150 nan 0.000 0.468 537 K N 1.614 121.966 120.400 -0.081 0.000 2.473 537 K HA 0.473 4.793 4.320 -0.001 0.000 0.246 537 K C 0.371 176.931 176.600 -0.066 0.000 1.011 537 K CA 0.257 56.489 56.287 -0.092 0.000 0.984 537 K CB 0.363 32.820 32.500 -0.072 0.000 1.250 537 K HN 1.838 nan 8.250 nan 0.000 0.454 538 G N 3.145 111.903 108.800 -0.069 0.000 2.370 538 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.293 538 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.293 538 G C 0.779 175.658 174.900 -0.035 0.000 0.992 538 G CA 0.514 45.587 45.100 -0.045 0.000 1.247 538 G HN 1.364 nan 8.290 nan 0.000 0.505 539 G N -0.449 108.328 108.800 -0.038 0.000 2.284 539 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.261 539 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.261 539 G C 0.594 175.478 174.900 -0.027 0.000 0.997 539 G CA 1.454 46.536 45.100 -0.030 0.000 0.621 539 G HN 1.427 nan 8.290 nan 0.000 0.534 540 K N 1.079 121.462 120.400 -0.028 0.000 2.234 540 K HA 0.548 4.868 4.320 -0.001 0.000 0.277 540 K C 0.297 176.884 176.600 -0.023 0.000 1.038 540 K CA -0.631 55.644 56.287 -0.020 0.000 0.888 540 K CB 1.103 33.594 32.500 -0.016 0.000 1.091 540 K HN 0.029 nan 8.250 nan 0.000 0.467 541 V N 7.294 127.198 119.914 -0.015 0.000 2.470 541 V HA 0.052 4.171 4.120 -0.001 0.000 0.276 541 V C 1.075 177.171 176.094 0.003 0.000 1.040 541 V CA 0.041 62.334 62.300 -0.013 0.000 1.008 541 V CB 0.504 32.322 31.823 -0.008 0.000 0.990 541 V HN 0.796 nan 8.190 nan 0.000 0.477 542 I N 1.773 122.347 120.570 0.006 0.000 4.081 542 I HA 0.794 4.963 4.170 -0.001 0.000 0.333 542 I C 0.436 176.575 176.117 0.038 0.000 1.413 542 I CA -0.099 61.214 61.300 0.021 0.000 1.110 542 I CB 0.571 38.582 38.000 0.018 0.000 1.082 542 I HN 0.525 nan 8.210 nan 0.000 0.402 543 A N 0.559 123.403 122.820 0.041 0.000 2.530 543 A HA 0.699 5.018 4.320 -0.001 0.000 0.297 543 A C -0.974 176.645 177.584 0.059 0.000 1.059 543 A CA -0.291 51.780 52.037 0.056 0.000 0.782 543 A CB 1.447 20.490 19.000 0.072 0.000 1.301 543 A HN 0.145 nan 8.150 nan 0.000 0.394 544 S N 0.710 116.461 115.700 0.085 0.000 2.548 544 S HA 0.841 5.310 4.470 -0.001 0.000 0.286 544 S C -1.164 173.520 174.600 0.140 0.000 1.098 544 S CA -0.226 58.059 58.200 0.143 0.000 0.930 544 S CB 1.807 65.150 63.200 0.238 0.000 1.070 544 S HN 0.948 nan 8.310 nan 0.000 0.480 545 E N 1.299 121.612 120.200 0.187 0.000 2.347 545 E HA 0.449 4.798 4.350 -0.001 0.000 0.285 545 E C -1.622 175.082 176.600 0.173 0.000 0.925 545 E CA -0.468 56.011 56.400 0.131 0.000 0.779 545 E CB 1.155 30.908 29.700 0.088 0.000 1.233 545 E HN 0.698 nan 8.360 nan 0.000 0.414 546 R N 4.093 124.648 120.500 0.091 0.000 2.575 546 R HA 0.629 4.968 4.340 -0.001 0.000 0.293 546 R C -0.282 176.040 176.300 0.036 0.000 0.983 546 R CA -0.942 55.198 56.100 0.065 0.000 0.887 546 R CB 1.050 31.326 30.300 -0.041 0.000 1.184 546 R HN 0.493 nan 8.270 nan 0.000 0.445 547 I N -0.051 120.546 120.570 0.046 0.000 2.330 547 I HA 0.387 4.556 4.170 -0.001 0.000 0.286 547 I C -0.211 175.923 176.117 0.028 0.000 1.025 547 I CA -1.309 60.010 61.300 0.033 0.000 1.197 547 I CB 1.097 39.119 38.000 0.037 0.000 1.358 547 I HN 0.243 nan 8.210 nan 0.000 0.467 548 K N 6.582 126.990 120.400 0.012 0.000 2.542 548 K HA 0.111 4.431 4.320 -0.001 0.000 0.276 548 K C -1.999 174.607 176.600 0.010 0.000 0.963 548 K CA -1.207 55.083 56.287 0.005 0.000 0.975 548 K CB -0.152 32.344 32.500 -0.007 0.000 0.901 548 K HN 0.512 nan 8.250 nan 0.000 0.506 549 P HA -0.153 nan 4.420 nan 0.000 0.271 549 P C 0.263 177.560 177.300 -0.006 0.000 1.228 549 P CA -0.348 62.748 63.100 -0.007 0.000 0.797 549 P CB 0.454 32.120 31.700 -0.056 0.000 0.914 550 L N 2.935 124.156 121.223 -0.003 0.000 2.652 550 L HA -0.000 4.339 4.340 -0.001 0.000 0.284 550 L C 1.089 177.952 176.870 -0.012 0.000 1.204 550 L CA 0.825 55.666 54.840 0.001 0.000 1.105 550 L CB -2.041 40.023 42.059 0.009 0.000 1.393 550 L HN 0.572 nan 8.230 nan 0.000 0.452 551 R N 0.000 120.494 120.500 -0.010 0.000 2.786 551 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 551 R CA 0.000 56.092 56.100 -0.013 0.000 0.921 551 R CB 0.000 30.295 30.300 -0.009 0.000 0.687 551 R HN 0.000 nan 8.270 nan 0.000 0.535