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 3c67_1_A DATA FIRST_RESID 2 DATA SEQUENCE ADNYKNVINR TGAPQYMKDY DYDDHQRFNP FFDLGAWHGH LLPDGPNTMG DATA SEQUENCE GFPGVALLTE EYINFMASNF DRLTVWQDGK KVDFTLEAYS IPGALVQKLT DATA SEQUENCE AKDVQVEMTL RFATPRTSLL ETKITSNKPL DLVWDGELLE KLEAKEGKPL DATA SEQUENCE SDKTIAGEYP DYQRKISATR DGLKVTFGKV RATWDLLTSG ESEYQVHKSL DATA SEQUENCE PVQTEINGNR FTSKAHINGS TTLYTTYSHL LTAQEVSKEQ MQIRDILARP DATA SEQUENCE AFYLTASQQR WEEYLKKGLT NPDATPEQTR VAVKAIETLN GNWRSPGGAV DATA SEQUENCE KFNTVTPSVT GRWFSGNQTW PWDTWKQAFA MAHFNPDIAK ENIRAVFSWQ DATA SEQUENCE IQPGDSVRPQ DVGFVPDLIA WNLSPERGGD GGNWNERNTK PSLAAWSVME DATA SEQUENCE VYNVTQDKTW VAEMYPKLVA YHDWWLRNRD HNGNGVPEYG ATRDKAHNTE DATA SEQUENCE SGEMLFTVKK GDKEETQSGL NNYARVVEKG QYDSLEIPAQ VAASWESGRD DATA SEQUENCE DAAVFGFIDK EQLDKYVANG GKRSDWTVKF AENRSQDGTL LGYSLLQESV DATA SEQUENCE DQASYMYSDN HYLAEMATIL GKPEEAKRYR QLAQQLADYI NTcMFDPTTQ DATA SEQUENCE FYYDVRIEDK PLANGcAGKP IVERGKGPEG WSPLFNGAAT QANADAVVKV DATA SEQUENCE MLDPKEFNTF VPLGTAALTN PAFGADIYWR GRVWVDQFWF GLKGMERYGY DATA SEQUENCE RDDALKLADT FFRHAKGLTA DGPIQENYNP LTGAQQGAPN FSWSAAHLYM DATA SEQUENCE LYNDFFRK 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.676 177.584 0.153 0.000 1.274 2 A CA 0.000 52.192 52.037 0.258 0.000 0.836 2 A CB 0.000 19.119 19.000 0.199 0.000 0.831 3 D N 1.336 121.769 120.400 0.055 0.000 2.350 3 D HA -0.079 4.563 4.640 0.003 0.000 0.216 3 D C 0.708 176.925 176.300 -0.139 0.000 0.968 3 D CA 0.769 54.753 54.000 -0.028 0.000 0.894 3 D CB -0.080 40.703 40.800 -0.029 0.000 0.909 3 D HN 0.486 nan 8.370 nan 0.000 0.520 4 N N 0.053 118.609 118.700 -0.239 0.000 2.461 4 N HA -0.084 4.658 4.740 0.003 0.000 0.188 4 N C -0.270 174.822 175.510 -0.698 0.000 1.134 4 N CA 0.330 53.080 53.050 -0.501 0.000 0.878 4 N CB 0.239 38.318 38.487 -0.679 0.000 0.972 4 N HN 0.300 nan 8.380 nan 0.000 0.456 5 Y N 0.945 121.239 120.300 -0.010 0.000 2.658 5 Y HA 0.343 4.895 4.550 0.004 0.000 0.362 5 Y C -0.058 175.833 175.900 -0.016 0.000 1.017 5 Y CA -0.745 57.353 58.100 -0.003 0.000 1.134 5 Y CB 0.301 38.773 38.460 0.020 0.000 1.144 5 Y HN -0.365 nan 8.280 nan 0.000 0.655 6 K N 1.910 122.326 120.400 0.027 0.000 2.205 6 K HA 0.200 4.522 4.320 0.003 0.000 0.279 6 K C 0.082 176.719 176.600 0.062 0.000 1.027 6 K CA -0.544 55.748 56.287 0.009 0.000 0.932 6 K CB 0.540 32.935 32.500 -0.176 0.000 1.032 6 K HN 0.476 nan 8.250 nan 0.000 0.466 7 N N 1.055 119.816 118.700 0.101 0.000 2.725 7 N HA -0.174 4.568 4.740 0.003 0.000 0.251 7 N C 0.721 176.284 175.510 0.087 0.000 1.031 7 N CA 0.391 53.499 53.050 0.096 0.000 0.720 7 N CB -1.560 36.984 38.487 0.094 0.000 0.930 7 N HN 0.319 nan 8.380 nan 0.000 0.543 8 V N -0.506 119.464 119.914 0.093 0.000 2.407 8 V HA -0.094 4.028 4.120 0.003 0.000 0.248 8 V C 1.381 177.525 176.094 0.083 0.000 1.055 8 V CA 1.535 63.891 62.300 0.093 0.000 1.049 8 V CB -0.045 31.831 31.823 0.089 0.000 0.662 8 V HN 0.402 nan 8.190 nan 0.000 0.455 9 I N 0.272 120.894 120.570 0.087 0.000 2.498 9 I HA 0.295 4.467 4.170 0.003 0.000 0.290 9 I C -0.185 175.995 176.117 0.104 0.000 1.032 9 I CA -0.605 60.751 61.300 0.094 0.000 1.073 9 I CB 1.655 39.720 38.000 0.108 0.000 1.251 9 I HN 0.006 nan 8.210 nan 0.000 0.426 10 N N 5.977 124.740 118.700 0.104 0.000 2.423 10 N HA 0.046 4.788 4.740 0.003 0.000 0.275 10 N C 0.200 175.800 175.510 0.150 0.000 1.283 10 N CA 0.555 53.675 53.050 0.116 0.000 0.932 10 N CB 0.427 38.977 38.487 0.107 0.000 1.185 10 N HN 0.512 nan 8.380 nan 0.000 0.483 11 R N 1.254 121.843 120.500 0.149 0.000 2.552 11 R HA 0.079 4.421 4.340 0.003 0.000 0.314 11 R C 0.193 176.594 176.300 0.168 0.000 1.041 11 R CA -0.200 56.008 56.100 0.180 0.000 1.076 11 R CB 0.159 30.559 30.300 0.167 0.000 1.290 11 R HN 0.555 nan 8.270 nan 0.000 0.563 12 T N -1.811 112.833 114.554 0.149 0.000 2.913 12 T HA 0.723 5.076 4.350 0.003 0.000 0.287 12 T C 0.486 175.238 174.700 0.086 0.000 1.008 12 T CA -0.495 61.664 62.100 0.099 0.000 1.067 12 T CB 2.175 71.091 68.868 0.079 0.000 0.996 12 T HN 0.233 nan 8.240 nan 0.000 0.513 13 G N -0.706 108.043 108.800 -0.085 0.000 2.361 13 G HA2 0.597 4.559 3.960 0.003 0.000 0.299 13 G HA3 0.597 4.559 3.960 0.003 0.000 0.299 13 G C -1.315 173.248 174.900 -0.562 0.000 1.544 13 G CA -0.431 44.413 45.100 -0.426 0.000 0.860 13 G HN 1.294 nan 8.290 nan 0.000 0.610 14 A N 1.495 123.885 122.820 -0.718 0.000 3.127 14 A HA 0.787 5.109 4.320 0.003 0.000 0.319 14 A C -2.661 174.589 177.584 -0.556 0.000 1.104 14 A CA -1.216 50.529 52.037 -0.486 0.000 0.802 14 A CB 0.941 19.797 19.000 -0.240 0.000 1.193 14 A HN 0.422 nan 8.150 nan 0.000 0.479 15 P HA 0.103 nan 4.420 nan 0.000 0.266 15 P C 0.212 177.345 177.300 -0.278 0.000 1.195 15 P CA 0.388 63.142 63.100 -0.576 0.000 0.768 15 P CB 0.719 31.733 31.700 -1.143 0.000 0.838 16 Q N 0.893 120.616 119.800 -0.127 0.000 2.189 16 Q HA 0.190 4.532 4.340 0.003 0.000 0.223 16 Q C -0.478 175.190 176.000 -0.554 0.000 0.828 16 Q CA 0.365 55.974 55.803 -0.323 0.000 0.967 16 Q CB 0.507 29.011 28.738 -0.389 0.000 1.139 16 Q HN 0.569 nan 8.270 nan 0.000 0.497 17 Y N -0.922 119.376 120.300 -0.002 0.000 2.553 17 Y HA 0.291 4.843 4.550 0.003 0.000 0.347 17 Y C 1.092 177.046 175.900 0.090 0.000 1.019 17 Y CA -0.735 57.377 58.100 0.021 0.000 1.032 17 Y CB 1.493 39.941 38.460 -0.018 0.000 1.284 17 Y HN -0.188 nan 8.280 nan 0.000 0.466 18 M N 0.853 120.593 119.600 0.233 0.000 2.175 18 M HA -0.035 4.447 4.480 0.003 0.000 0.264 18 M C -0.205 176.201 176.300 0.177 0.000 1.063 18 M CA 1.966 57.397 55.300 0.218 0.000 1.119 18 M CB 0.114 32.808 32.600 0.157 0.000 1.377 18 M HN 0.528 nan 8.290 nan 0.000 0.415 19 K N 1.432 121.823 120.400 -0.016 0.000 2.432 19 K HA 0.127 4.449 4.320 0.003 0.000 0.226 19 K C -1.152 175.187 176.600 -0.435 0.000 1.057 19 K CA -0.238 55.749 56.287 -0.500 0.000 1.034 19 K CB 0.459 32.405 32.500 -0.924 0.000 1.561 19 K HN 0.006 nan 8.250 nan 0.000 0.492 20 D N 2.636 123.068 120.400 0.053 0.000 2.564 20 D HA 0.053 4.695 4.640 0.003 0.000 0.226 20 D C -0.632 175.764 176.300 0.160 0.000 1.149 20 D CA -0.265 53.825 54.000 0.150 0.000 0.994 20 D CB 0.181 41.226 40.800 0.408 0.000 1.029 20 D HN 0.229 nan 8.370 nan 0.000 0.517 21 Y N 1.199 121.467 120.300 -0.054 0.000 2.316 21 Y HA 0.181 4.733 4.550 0.003 0.000 0.324 21 Y C 1.167 176.939 175.900 -0.213 0.000 1.267 21 Y CA -1.424 56.605 58.100 -0.119 0.000 1.311 21 Y CB 0.440 38.813 38.460 -0.145 0.000 1.267 21 Y HN 0.263 nan 8.280 nan 0.000 0.516 22 D N -1.072 119.305 120.400 -0.038 0.000 2.511 22 D HA 0.038 4.680 4.640 0.003 0.000 0.276 22 D C 0.404 176.595 176.300 -0.181 0.000 1.220 22 D CA -0.299 53.580 54.000 -0.202 0.000 1.077 22 D CB -0.040 40.687 40.800 -0.122 0.000 1.126 22 D HN 0.411 nan 8.370 nan 0.000 0.583 23 Y N -0.821 119.452 120.300 -0.045 0.000 2.483 23 Y HA -0.032 4.520 4.550 0.003 0.000 0.291 23 Y C 1.067 176.912 175.900 -0.092 0.000 1.143 23 Y CA 1.037 59.103 58.100 -0.056 0.000 1.289 23 Y CB -0.192 38.241 38.460 -0.046 0.000 0.983 23 Y HN 0.321 nan 8.280 nan 0.000 0.556 24 D N -0.484 119.912 120.400 -0.006 0.000 2.463 24 D HA 0.042 4.684 4.640 0.003 0.000 0.224 24 D C -0.205 175.748 176.300 -0.578 0.000 1.174 24 D CA 0.286 54.185 54.000 -0.170 0.000 0.829 24 D CB -0.002 40.778 40.800 -0.032 0.000 0.993 24 D HN 0.226 nan 8.370 nan 0.000 0.497 25 D N 0.587 120.682 120.400 -0.508 0.000 3.090 25 D HA -0.156 4.486 4.640 0.003 0.000 0.215 25 D C 0.018 175.401 176.300 -1.528 0.000 1.140 25 D CA 0.834 54.268 54.000 -0.944 0.000 0.937 25 D CB -1.290 39.036 40.800 -0.790 0.000 1.108 25 D HN 0.489 nan 8.370 nan 0.000 0.420 26 H N 0.504 119.215 119.070 -0.598 0.000 2.479 26 H HA 0.266 4.824 4.556 0.003 0.000 0.335 26 H C 1.115 176.358 175.328 -0.142 0.000 1.142 26 H CA -0.252 55.543 56.048 -0.422 0.000 1.234 26 H CB 0.833 30.465 29.762 -0.216 0.000 1.503 26 H HN -0.062 nan 8.280 nan 0.000 0.510 27 Q N 2.101 121.998 119.800 0.161 0.000 2.263 27 Q HA -0.037 4.305 4.340 0.003 0.000 0.289 27 Q C 1.196 177.311 176.000 0.192 0.000 1.061 27 Q CA 0.154 56.164 55.803 0.345 0.000 0.927 27 Q CB 0.778 29.718 28.738 0.338 0.000 1.154 27 Q HN 0.673 nan 8.270 nan 0.000 0.378 28 R N 1.345 121.856 120.500 0.019 0.000 2.325 28 R HA 0.141 4.483 4.340 0.003 0.000 0.214 28 R C -0.524 175.466 176.300 -0.518 0.000 0.961 28 R CA 0.320 56.238 56.100 -0.302 0.000 1.086 28 R CB 0.088 30.086 30.300 -0.503 0.000 1.037 28 R HN 0.162 nan 8.270 nan 0.000 0.493 29 F N 0.234 120.330 119.950 0.244 0.000 2.593 29 F HA 0.398 4.927 4.527 0.003 0.000 0.320 29 F C -0.009 175.951 175.800 0.268 0.000 1.060 29 F CA -1.514 56.623 58.000 0.228 0.000 0.940 29 F CB 1.506 40.641 39.000 0.225 0.000 1.268 29 F HN -0.103 nan 8.300 nan 0.000 0.475 30 N N 2.369 121.325 118.700 0.426 0.000 2.898 30 N HA 0.297 5.039 4.740 0.003 0.000 0.245 30 N C -2.932 172.790 175.510 0.353 0.000 1.185 30 N CA -1.334 51.920 53.050 0.339 0.000 0.879 30 N CB 0.922 39.557 38.487 0.247 0.000 1.157 30 N HN 0.126 nan 8.380 nan 0.000 0.503 31 P HA 0.064 nan 4.420 nan 0.000 0.269 31 P C -0.345 177.115 177.300 0.267 0.000 1.215 31 P CA -0.223 63.035 63.100 0.264 0.000 0.780 31 P CB 0.424 32.195 31.700 0.118 0.000 0.898 32 F N 3.486 123.439 119.950 0.006 0.000 2.424 32 F HA 0.520 5.049 4.527 0.004 0.000 0.356 32 F C -1.219 174.516 175.800 -0.108 0.000 1.110 32 F CA -0.662 57.375 58.000 0.061 0.000 1.161 32 F CB -0.243 38.824 39.000 0.111 0.000 1.115 32 F HN 0.116 nan 8.300 nan 0.000 0.507 33 F N 4.441 124.072 119.950 -0.532 0.000 2.563 33 F HA 0.467 4.996 4.527 0.003 0.000 0.316 33 F C -0.433 174.609 175.800 -1.264 0.000 1.076 33 F CA -0.723 56.705 58.000 -0.954 0.000 0.921 33 F CB 1.944 40.613 39.000 -0.550 0.000 1.209 33 F HN 0.432 nan 8.300 nan 0.000 0.462 34 D N 0.750 120.130 120.400 -1.699 0.000 2.599 34 D HA 0.447 5.089 4.640 0.003 0.000 0.252 34 D C -0.214 175.495 176.300 -0.985 0.000 1.232 34 D CA -0.366 53.057 54.000 -0.962 0.000 0.819 34 D CB 1.667 42.212 40.800 -0.425 0.000 1.401 34 D HN 0.341 nan 8.370 nan 0.000 0.429 35 L N 1.764 122.496 121.223 -0.819 0.000 4.429 35 L HA -0.121 4.221 4.340 0.003 0.000 0.422 35 L C 1.215 177.332 176.870 -1.256 0.000 1.149 35 L CA 1.977 56.281 54.840 -0.893 0.000 0.972 35 L CB -1.581 40.385 42.059 -0.155 0.000 2.059 35 L HN 1.029 nan 8.230 nan 0.000 0.870 36 G N -2.322 105.413 108.800 -1.776 0.000 2.153 36 G HA2 -0.018 3.944 3.960 0.003 0.000 0.252 36 G HA3 -0.018 3.944 3.960 0.003 0.000 0.252 36 G C 0.703 175.280 174.900 -0.538 0.000 0.994 36 G CA 0.667 44.999 45.100 -1.279 0.000 0.698 36 G HN 1.627 nan 8.290 nan 0.000 0.521 37 A N -1.175 121.367 122.820 -0.463 0.000 2.366 37 A HA 0.536 4.858 4.320 0.003 0.000 0.250 37 A C 0.516 178.087 177.584 -0.022 0.000 1.099 37 A CA 0.693 52.699 52.037 -0.052 0.000 0.794 37 A CB 0.329 19.308 19.000 -0.034 0.000 1.056 37 A HN 0.801 nan 8.150 nan 0.000 0.499 38 W N 0.656 122.082 121.300 0.210 0.000 3.015 38 W HA 0.272 4.935 4.660 0.005 0.000 0.429 38 W C 0.492 177.337 176.519 0.543 0.000 0.976 38 W CA 0.285 57.818 57.345 0.313 0.000 2.086 38 W CB 0.089 29.698 29.460 0.248 0.000 1.125 38 W HN 0.794 nan 8.180 nan 0.000 0.721 39 H N -2.005 117.374 119.070 0.514 0.000 3.046 39 H HA 0.807 5.365 4.556 0.003 0.000 0.361 39 H C -0.574 174.640 175.328 -0.190 0.000 1.235 39 H CA -0.953 55.251 56.048 0.260 0.000 1.146 39 H CB 1.425 31.344 29.762 0.260 0.000 1.859 39 H HN -0.059 nan 8.280 nan 0.000 0.548 40 G N 0.798 109.131 108.800 -0.779 0.000 2.642 40 G HA2 0.475 4.437 3.960 0.003 0.000 0.293 40 G HA3 0.475 4.437 3.960 0.003 0.000 0.293 40 G C -1.596 172.822 174.900 -0.803 0.000 1.341 40 G CA -0.654 43.596 45.100 -1.417 0.000 0.916 40 G HN 0.708 nan 8.290 nan 0.000 0.474 41 H N -0.563 118.422 119.070 -0.140 0.000 2.797 41 H HA 0.594 5.153 4.556 0.004 0.000 0.372 41 H C -0.655 174.763 175.328 0.150 0.000 1.168 41 H CA -0.382 55.708 56.048 0.069 0.000 1.163 41 H CB 2.306 32.130 29.762 0.104 0.000 1.778 41 H HN 0.228 nan 8.280 nan 0.000 0.551 42 L N 1.257 122.667 121.223 0.312 0.000 2.286 42 L HA 0.433 4.775 4.340 0.003 0.000 0.265 42 L C -0.119 176.925 176.870 0.290 0.000 1.012 42 L CA -0.968 54.015 54.840 0.240 0.000 0.818 42 L CB 1.810 43.929 42.059 0.102 0.000 1.337 42 L HN 0.186 nan 8.230 nan 0.000 0.438 43 L N 2.248 123.597 121.223 0.210 0.000 2.379 43 L HA 0.425 4.767 4.340 0.003 0.000 0.269 43 L C -2.095 174.791 176.870 0.027 0.000 1.084 43 L CA -1.748 53.199 54.840 0.178 0.000 0.802 43 L CB 1.241 43.378 42.059 0.131 0.000 1.175 43 L HN 0.300 nan 8.230 nan 0.000 0.448 44 P HA -0.000 nan 4.420 nan 0.000 0.269 44 P C -0.899 176.362 177.300 -0.065 0.000 1.209 44 P CA -0.148 62.884 63.100 -0.114 0.000 0.776 44 P CB 0.752 32.336 31.700 -0.194 0.000 0.876 45 D N 0.810 121.171 120.400 -0.064 0.000 2.363 45 D HA 0.288 4.930 4.640 0.003 0.000 0.214 45 D C 0.858 177.139 176.300 -0.031 0.000 1.093 45 D CA -0.406 53.574 54.000 -0.034 0.000 0.837 45 D CB 0.191 40.972 40.800 -0.033 0.000 0.948 45 D HN 0.597 nan 8.370 nan 0.000 0.507 46 G N 0.116 108.887 108.800 -0.048 0.000 2.350 46 G HA2 -0.002 3.960 3.960 0.003 0.000 0.282 46 G HA3 -0.002 3.960 3.960 0.003 0.000 0.282 46 G C -2.374 172.494 174.900 -0.053 0.000 1.314 46 G CA -0.412 44.663 45.100 -0.041 0.000 0.915 46 G HN -0.174 nan 8.290 nan 0.000 0.499 47 P HA -0.118 nan 4.420 nan 0.000 0.217 47 P C 1.495 178.762 177.300 -0.056 0.000 1.151 47 P CA 1.897 64.969 63.100 -0.048 0.000 0.849 47 P CB -0.175 31.499 31.700 -0.043 0.000 0.787 48 N N -1.710 116.957 118.700 -0.055 0.000 2.289 48 N HA -0.098 4.644 4.740 0.003 0.000 0.184 48 N C 1.136 176.604 175.510 -0.070 0.000 1.016 48 N CA 1.614 54.629 53.050 -0.058 0.000 0.872 48 N CB -0.256 38.198 38.487 -0.055 0.000 0.973 48 N HN 0.324 nan 8.380 nan 0.000 0.433 49 T N -2.767 111.739 114.554 -0.080 0.000 3.004 49 T HA 0.192 4.544 4.350 0.003 0.000 0.266 49 T C 0.541 175.167 174.700 -0.123 0.000 0.986 49 T CA -0.455 61.587 62.100 -0.096 0.000 0.902 49 T CB 0.087 68.892 68.868 -0.104 0.000 1.118 49 T HN 0.028 nan 8.240 nan 0.000 0.522 50 M N 2.209 121.739 119.600 -0.117 0.000 2.248 50 M HA 0.351 4.833 4.480 0.003 0.000 0.343 50 M C 1.311 177.516 176.300 -0.159 0.000 1.243 50 M CA 2.213 57.426 55.300 -0.145 0.000 1.025 50 M CB -0.129 32.413 32.600 -0.097 0.000 1.759 50 M HN 0.600 nan 8.290 nan 0.000 0.452 51 G N 2.570 111.231 108.800 -0.232 0.000 2.195 51 G HA2 -0.099 3.863 3.960 0.003 0.000 0.224 51 G HA3 -0.099 3.863 3.960 0.003 0.000 0.224 51 G C -0.057 174.732 174.900 -0.184 0.000 0.990 51 G CA -0.183 44.790 45.100 -0.211 0.000 0.639 51 G HN 1.370 nan 8.290 nan 0.000 0.514 52 G N -1.211 107.432 108.800 -0.261 0.000 2.660 52 G HA2 0.628 4.590 3.960 0.003 0.000 0.290 52 G HA3 0.628 4.590 3.960 0.003 0.000 0.290 52 G C -1.355 173.309 174.900 -0.393 0.000 1.432 52 G CA -0.880 44.104 45.100 -0.193 0.000 0.807 52 G HN 0.471 nan 8.290 nan 0.000 0.485 53 F N 2.541 122.514 119.950 0.037 0.000 2.293 53 F HA 0.385 4.914 4.527 0.003 0.000 0.370 53 F C -1.458 174.372 175.800 0.050 0.000 1.090 53 F CA -1.755 56.260 58.000 0.026 0.000 1.133 53 F CB 1.792 40.793 39.000 0.003 0.000 1.360 53 F HN 0.144 nan 8.300 nan 0.000 0.489 54 P HA 0.171 nan 4.420 nan 0.000 0.274 54 P C 0.279 177.605 177.300 0.042 0.000 1.260 54 P CA -0.046 63.079 63.100 0.042 0.000 0.793 54 P CB 0.843 32.502 31.700 -0.068 0.000 1.048 55 G N -0.757 108.016 108.800 -0.046 0.000 2.370 55 G HA2 -0.162 3.800 3.960 0.003 0.000 0.295 55 G HA3 -0.162 3.800 3.960 0.003 0.000 0.295 55 G C -0.096 174.911 174.900 0.179 0.000 1.045 55 G CA -0.312 44.754 45.100 -0.055 0.000 1.199 55 G HN 0.459 nan 8.290 nan 0.000 0.513 56 V N 0.881 120.846 119.914 0.085 0.000 2.425 56 V HA 0.403 4.525 4.120 0.003 0.000 0.276 56 V C 1.145 177.241 176.094 0.003 0.000 1.017 56 V CA 0.663 62.930 62.300 -0.055 0.000 1.062 56 V CB 0.643 32.232 31.823 -0.389 0.000 0.997 56 V HN 1.342 nan 8.190 nan 0.000 0.476 57 A N 7.652 130.449 122.820 -0.038 0.000 2.260 57 A HA 0.730 5.052 4.320 0.003 0.000 0.308 57 A C -0.477 177.041 177.584 -0.109 0.000 1.254 57 A CA -0.504 51.458 52.037 -0.126 0.000 0.874 57 A CB 0.274 19.203 19.000 -0.119 0.000 1.153 57 A HN 0.801 nan 8.150 nan 0.000 0.527 58 L N 3.393 124.505 121.223 -0.185 0.000 2.282 58 L HA 0.371 4.713 4.340 0.003 0.000 0.288 58 L C -0.477 176.382 176.870 -0.018 0.000 1.033 58 L CA -0.411 54.296 54.840 -0.221 0.000 0.807 58 L CB 1.468 43.196 42.059 -0.552 0.000 1.209 58 L HN 0.581 nan 8.230 nan 0.000 0.423 59 L N 3.598 124.958 121.223 0.228 0.000 2.328 59 L HA 0.184 4.526 4.340 0.003 0.000 0.280 59 L C 0.580 177.652 176.870 0.337 0.000 1.111 59 L CA -0.356 54.637 54.840 0.255 0.000 0.909 59 L CB 0.436 42.642 42.059 0.245 0.000 1.277 59 L HN 0.657 nan 8.230 nan 0.000 0.433 60 T N -0.986 113.642 114.554 0.122 0.000 3.781 60 T HA 0.216 4.568 4.350 0.003 0.000 0.286 60 T C 0.739 175.380 174.700 -0.099 0.000 1.277 60 T CA -0.448 61.650 62.100 -0.003 0.000 1.136 60 T CB 0.168 68.978 68.868 -0.098 0.000 1.202 60 T HN 0.748 nan 8.240 nan 0.000 0.884 61 E N 1.359 121.424 120.200 -0.224 0.000 4.876 61 E HA -0.334 4.018 4.350 0.003 0.000 0.174 61 E C 0.828 177.463 176.600 0.059 0.000 1.304 61 E CA 2.286 58.431 56.400 -0.425 0.000 2.277 61 E CB -1.024 28.175 29.700 -0.835 0.000 1.860 61 E HN 0.829 nan 8.360 nan 0.000 0.382 62 E N -1.510 118.629 120.200 -0.101 0.000 2.743 62 E HA 0.214 4.566 4.350 0.003 0.000 0.222 62 E C -0.953 175.205 176.600 -0.736 0.000 0.959 62 E CA -0.057 56.148 56.400 -0.325 0.000 1.198 62 E CB 0.904 30.348 29.700 -0.427 0.000 1.100 62 E HN 0.160 nan 8.360 nan 0.000 0.518 63 Y N -0.087 120.237 120.300 0.040 0.000 2.588 63 Y HA 0.386 4.936 4.550 0.001 0.000 0.343 63 Y C -0.626 175.245 175.900 -0.048 0.000 1.065 63 Y CA -1.264 56.826 58.100 -0.017 0.000 1.038 63 Y CB 1.361 39.790 38.460 -0.051 0.000 1.297 63 Y HN -0.094 nan 8.280 nan 0.000 0.467 64 I N 3.418 124.042 120.570 0.089 0.000 2.354 64 I HA 0.438 4.610 4.170 0.003 0.000 0.292 64 I C -1.392 174.680 176.117 -0.074 0.000 0.989 64 I CA -0.462 60.821 61.300 -0.029 0.000 1.188 64 I CB 0.426 38.380 38.000 -0.075 0.000 1.342 64 I HN 0.730 nan 8.210 nan 0.000 0.457 65 N N 7.001 125.611 118.700 -0.150 0.000 2.310 65 N HA 0.343 5.085 4.740 0.003 0.000 0.292 65 N C -1.138 174.251 175.510 -0.201 0.000 1.049 65 N CA -0.325 52.637 53.050 -0.147 0.000 0.849 65 N CB 1.832 40.260 38.487 -0.099 0.000 1.532 65 N HN 0.269 nan 8.380 nan 0.000 0.479 66 F N 1.434 121.400 119.950 0.027 0.000 2.418 66 F HA 0.225 4.755 4.527 0.004 0.000 0.341 66 F C 1.903 177.672 175.800 -0.052 0.000 1.120 66 F CA -0.162 57.832 58.000 -0.009 0.000 1.232 66 F CB 1.027 40.048 39.000 0.035 0.000 1.175 66 F HN 0.452 nan 8.300 nan 0.000 0.569 67 M N 1.844 121.488 119.600 0.073 0.000 2.657 67 M HA 0.474 4.956 4.480 0.003 0.000 0.262 67 M C -0.148 176.124 176.300 -0.048 0.000 1.213 67 M CA 0.690 55.957 55.300 -0.056 0.000 1.182 67 M CB 0.517 32.943 32.600 -0.289 0.000 1.303 67 M HN 0.616 nan 8.290 nan 0.000 0.501 68 A N -1.162 121.632 122.820 -0.042 0.000 2.586 68 A HA 0.524 4.846 4.320 0.003 0.000 0.290 68 A C -0.120 177.455 177.584 -0.015 0.000 1.086 68 A CA -0.296 51.738 52.037 -0.004 0.000 0.665 68 A CB 0.869 19.895 19.000 0.045 0.000 1.279 68 A HN 0.147 nan 8.150 nan 0.000 0.423 69 S N -0.162 115.525 115.700 -0.021 0.000 2.338 69 S HA 0.151 4.623 4.470 0.003 0.000 0.197 69 S C 0.630 175.227 174.600 -0.004 0.000 0.990 69 S CA 0.516 58.665 58.200 -0.086 0.000 0.920 69 S CB -0.373 62.755 63.200 -0.120 0.000 0.903 69 S HN 0.716 nan 8.310 nan 0.000 0.542 70 N N 0.241 118.953 118.700 0.020 0.000 2.444 70 N HA 0.397 5.139 4.740 0.003 0.000 0.271 70 N C -1.661 173.953 175.510 0.173 0.000 1.069 70 N CA -0.004 53.074 53.050 0.046 0.000 0.965 70 N CB 0.691 39.163 38.487 -0.025 0.000 1.092 70 N HN 0.260 nan 8.380 nan 0.000 0.476 71 F N 2.146 122.123 119.950 0.045 0.000 2.787 71 F HA 0.149 4.678 4.527 0.004 0.000 0.340 71 F C -0.545 175.406 175.800 0.252 0.000 1.232 71 F CA -0.578 57.518 58.000 0.160 0.000 1.051 71 F CB 0.908 39.996 39.000 0.147 0.000 1.330 71 F HN 0.479 nan 8.300 nan 0.000 0.522 72 D N 2.886 123.350 120.400 0.107 0.000 2.873 72 D HA -0.225 4.417 4.640 0.003 0.000 0.228 72 D C -0.203 176.326 176.300 0.381 0.000 1.122 72 D CA 0.671 54.895 54.000 0.373 0.000 0.758 72 D CB -0.409 40.655 40.800 0.441 0.000 1.094 72 D HN 0.698 nan 8.370 nan 0.000 0.434 73 R N 0.553 121.164 120.500 0.185 0.000 2.340 73 R HA 0.442 4.784 4.340 0.003 0.000 0.300 73 R C -0.449 175.903 176.300 0.088 0.000 1.069 73 R CA -0.608 55.558 56.100 0.111 0.000 0.984 73 R CB 0.533 30.832 30.300 -0.002 0.000 1.003 73 R HN 0.251 nan 8.270 nan 0.000 0.459 74 L N 4.341 125.571 121.223 0.012 0.000 2.292 74 L HA 0.389 4.731 4.340 0.003 0.000 0.284 74 L C -0.763 176.000 176.870 -0.179 0.000 1.065 74 L CA 0.262 54.961 54.840 -0.234 0.000 0.806 74 L CB 1.701 43.609 42.059 -0.251 0.000 1.175 74 L HN 0.829 nan 8.230 nan 0.000 0.431 75 T N 2.205 116.654 114.554 -0.174 0.000 2.876 75 T HA 0.739 5.091 4.350 0.003 0.000 0.289 75 T C -0.728 173.937 174.700 -0.058 0.000 1.014 75 T CA -0.776 61.280 62.100 -0.074 0.000 0.986 75 T CB 1.460 70.347 68.868 0.032 0.000 1.021 75 T HN 0.360 nan 8.240 nan 0.000 0.458 76 V N 2.566 122.423 119.914 -0.096 0.000 2.459 76 V HA 0.631 4.753 4.120 0.003 0.000 0.295 76 V C -1.103 174.845 176.094 -0.243 0.000 1.029 76 V CA -0.841 61.439 62.300 -0.034 0.000 0.874 76 V CB 1.099 32.998 31.823 0.128 0.000 0.985 76 V HN 0.946 nan 8.190 nan 0.000 0.438 77 W N 2.905 124.144 121.300 -0.102 0.000 2.736 77 W HA 0.750 5.412 4.660 0.003 0.000 0.335 77 W C -0.442 176.028 176.519 -0.081 0.000 1.059 77 W CA -0.783 56.505 57.345 -0.095 0.000 1.226 77 W CB 1.714 31.126 29.460 -0.080 0.000 1.416 77 W HN 0.548 nan 8.180 nan 0.000 0.505 78 Q N 0.609 120.487 119.800 0.130 0.000 2.290 78 Q HA 0.430 4.772 4.340 0.003 0.000 0.269 78 Q C -0.530 175.517 176.000 0.079 0.000 1.016 78 Q CA -0.802 55.041 55.803 0.066 0.000 0.754 78 Q CB 1.764 30.497 28.738 -0.008 0.000 1.247 78 Q HN 0.539 nan 8.270 nan 0.000 0.451 79 D N 2.651 123.101 120.400 0.083 0.000 2.837 79 D HA -0.210 4.432 4.640 0.003 0.000 0.230 79 D C 0.876 177.226 176.300 0.083 0.000 1.152 79 D CA 2.504 56.544 54.000 0.066 0.000 0.736 79 D CB -1.103 39.720 40.800 0.038 0.000 1.084 79 D HN 1.502 nan 8.370 nan 0.000 0.429 80 G N -0.572 108.309 108.800 0.135 0.000 2.199 80 G HA2 -0.376 3.586 3.960 0.003 0.000 0.254 80 G HA3 -0.376 3.586 3.960 0.003 0.000 0.254 80 G C 0.305 175.393 174.900 0.315 0.000 0.982 80 G CA 0.614 45.813 45.100 0.166 0.000 0.632 80 G HN 0.735 nan 8.290 nan 0.000 0.529 81 K N 0.852 121.393 120.400 0.234 0.000 2.206 81 K HA 0.519 4.841 4.320 0.003 0.000 0.264 81 K C 0.287 176.852 176.600 -0.059 0.000 0.967 81 K CA -0.819 55.536 56.287 0.114 0.000 0.844 81 K CB 0.774 33.272 32.500 -0.004 0.000 1.099 81 K HN 0.132 nan 8.250 nan 0.000 0.441 82 K N 3.310 123.433 120.400 -0.463 0.000 2.350 82 K HA 0.085 4.407 4.320 0.003 0.000 0.279 82 K C -0.669 175.537 176.600 -0.657 0.000 1.027 82 K CA -0.496 55.142 56.287 -1.083 0.000 0.969 82 K CB 0.830 32.466 32.500 -1.440 0.000 0.954 82 K HN 0.346 nan 8.250 nan 0.000 0.474 83 V N 3.992 123.495 119.914 -0.686 0.000 2.572 83 V HA -0.035 4.087 4.120 0.003 0.000 0.291 83 V C 0.046 175.612 176.094 -0.881 0.000 1.039 83 V CA -0.142 61.720 62.300 -0.731 0.000 1.055 83 V CB 1.059 32.360 31.823 -0.869 0.000 0.969 83 V HN 0.807 nan 8.190 nan 0.000 0.482 84 D N 4.066 124.055 120.400 -0.683 0.000 2.347 84 D HA 0.437 5.079 4.640 0.003 0.000 0.235 84 D C -0.752 175.246 176.300 -0.503 0.000 1.149 84 D CA -0.084 53.621 54.000 -0.492 0.000 0.850 84 D CB 0.347 40.973 40.800 -0.290 0.000 1.061 84 D HN 0.225 nan 8.370 nan 0.000 0.487 85 F N 1.289 121.156 119.950 -0.139 0.000 2.483 85 F HA 0.443 4.972 4.527 0.003 0.000 0.329 85 F C 1.017 176.761 175.800 -0.093 0.000 1.064 85 F CA -0.882 57.050 58.000 -0.113 0.000 0.986 85 F CB 1.666 40.593 39.000 -0.122 0.000 1.218 85 F HN 0.142 nan 8.300 nan 0.000 0.484 86 T N 0.376 115.019 114.554 0.149 0.000 2.929 86 T HA 0.692 5.044 4.350 0.003 0.000 0.284 86 T C -1.036 173.687 174.700 0.038 0.000 1.014 86 T CA -0.754 61.380 62.100 0.057 0.000 1.051 86 T CB 1.730 70.617 68.868 0.033 0.000 1.028 86 T HN 0.503 nan 8.240 nan 0.000 0.485 87 L N 0.942 122.169 121.223 0.006 0.000 2.334 87 L HA 0.712 5.054 4.340 0.003 0.000 0.276 87 L C -0.450 176.414 176.870 -0.010 0.000 1.014 87 L CA -0.556 54.269 54.840 -0.024 0.000 0.815 87 L CB 1.603 43.636 42.059 -0.044 0.000 1.268 87 L HN 0.981 nan 8.230 nan 0.000 0.428 88 E N 4.072 124.263 120.200 -0.016 0.000 2.265 88 E HA 0.753 5.105 4.350 0.003 0.000 0.262 88 E C -1.987 174.620 176.600 0.013 0.000 0.889 88 E CA -0.701 55.720 56.400 0.035 0.000 0.789 88 E CB 1.567 31.306 29.700 0.066 0.000 1.221 88 E HN 0.884 nan 8.360 nan 0.000 0.414 89 A N 3.939 126.788 122.820 0.048 0.000 2.455 89 A HA 0.727 5.049 4.320 0.003 0.000 0.300 89 A C -1.820 175.825 177.584 0.102 0.000 1.040 89 A CA -0.643 51.381 52.037 -0.022 0.000 0.697 89 A CB 0.787 19.755 19.000 -0.054 0.000 1.265 89 A HN 0.656 nan 8.150 nan 0.000 0.407 90 Y N -0.602 119.720 120.300 0.036 0.000 2.656 90 Y HA 0.780 5.332 4.550 0.003 0.000 0.334 90 Y C -0.284 175.617 175.900 0.002 0.000 1.179 90 Y CA -0.713 57.399 58.100 0.020 0.000 1.050 90 Y CB 0.701 39.164 38.460 0.005 0.000 1.308 90 Y HN 0.997 nan 8.280 nan 0.000 0.456 91 S N 2.550 118.371 115.700 0.201 0.000 2.578 91 S HA 0.924 5.396 4.470 0.003 0.000 0.301 91 S C -0.636 174.030 174.600 0.109 0.000 1.091 91 S CA -0.462 57.755 58.200 0.027 0.000 1.032 91 S CB 1.588 64.769 63.200 -0.032 0.000 1.064 91 S HN 1.172 nan 8.310 nan 0.000 0.508 92 I N -3.083 117.454 120.570 -0.055 0.000 3.095 92 I HA 0.629 4.801 4.170 0.003 0.000 0.310 92 I C -3.266 172.707 176.117 -0.240 0.000 1.196 92 I CA -3.396 57.888 61.300 -0.027 0.000 0.985 92 I CB 1.770 39.803 38.000 0.056 0.000 1.250 92 I HN 0.278 nan 8.210 nan 0.000 0.446 93 P HA 0.168 nan 4.420 nan 0.000 0.261 93 P C 0.677 177.333 177.300 -1.074 0.000 1.203 93 P CA 1.166 63.996 63.100 -0.449 0.000 0.767 93 P CB 0.408 32.138 31.700 0.050 0.000 0.785 94 G N 2.201 109.949 108.800 -1.753 0.000 2.175 94 G HA2 0.020 3.982 3.960 0.003 0.000 0.244 94 G HA3 0.020 3.982 3.960 0.003 0.000 0.244 94 G C 0.129 174.662 174.900 -0.611 0.000 0.982 94 G CA -0.073 44.019 45.100 -1.680 0.000 0.641 94 G HN 0.898 nan 8.290 nan 0.000 0.527 95 A N -0.934 121.362 122.820 -0.873 0.000 2.608 95 A HA 0.787 5.109 4.320 0.003 0.000 0.292 95 A C -1.100 176.077 177.584 -0.679 0.000 1.066 95 A CA -0.523 51.131 52.037 -0.639 0.000 0.676 95 A CB 0.964 19.819 19.000 -0.241 0.000 1.277 95 A HN 0.889 nan 8.150 nan 0.000 0.413 96 L N 0.832 121.751 121.223 -0.506 0.000 2.346 96 L HA 0.810 5.152 4.340 0.003 0.000 0.274 96 L C -0.943 175.769 176.870 -0.264 0.000 1.007 96 L CA -1.068 53.554 54.840 -0.364 0.000 0.818 96 L CB 1.946 43.789 42.059 -0.361 0.000 1.284 96 L HN 0.511 nan 8.230 nan 0.000 0.424 97 V N 2.050 121.817 119.914 -0.245 0.000 2.888 97 V HA 0.516 4.638 4.120 0.003 0.000 0.309 97 V C -0.962 174.981 176.094 -0.251 0.000 1.114 97 V CA -0.610 61.519 62.300 -0.285 0.000 0.940 97 V CB 2.155 33.566 31.823 -0.687 0.000 1.021 97 V HN 0.894 nan 8.190 nan 0.000 0.426 98 Q N 2.591 122.332 119.800 -0.099 0.000 2.309 98 Q HA 0.710 5.052 4.340 0.003 0.000 0.273 98 Q C -1.902 174.011 176.000 -0.146 0.000 1.040 98 Q CA -1.082 54.620 55.803 -0.169 0.000 0.834 98 Q CB 2.925 31.493 28.738 -0.284 0.000 1.345 98 Q HN 0.645 nan 8.270 nan 0.000 0.414 99 K N 3.035 123.357 120.400 -0.129 0.000 2.397 99 K HA 0.548 4.870 4.320 0.003 0.000 0.253 99 K C -1.059 175.445 176.600 -0.160 0.000 0.932 99 K CA -0.623 55.591 56.287 -0.122 0.000 0.795 99 K CB 2.015 34.487 32.500 -0.047 0.000 1.159 99 K HN 0.540 nan 8.250 nan 0.000 0.424 100 L N 2.387 123.446 121.223 -0.273 0.000 2.296 100 L HA 0.466 4.808 4.340 0.003 0.000 0.286 100 L C -0.364 176.378 176.870 -0.213 0.000 1.023 100 L CA -0.707 53.907 54.840 -0.377 0.000 0.812 100 L CB 1.766 43.240 42.059 -0.975 0.000 1.223 100 L HN 0.589 nan 8.230 nan 0.000 0.421 101 T N 2.141 116.734 114.554 0.066 0.000 2.824 101 T HA 0.771 5.123 4.350 0.003 0.000 0.282 101 T C -0.294 174.575 174.700 0.282 0.000 0.993 101 T CA -0.506 61.689 62.100 0.159 0.000 0.967 101 T CB 2.093 71.001 68.868 0.066 0.000 0.960 101 T HN 0.721 nan 8.240 nan 0.000 0.441 102 A N 2.119 125.085 122.820 0.243 0.000 2.532 102 A HA 0.779 5.101 4.320 0.003 0.000 0.290 102 A C 1.037 178.641 177.584 0.034 0.000 1.143 102 A CA -0.735 51.345 52.037 0.072 0.000 0.728 102 A CB 1.430 20.384 19.000 -0.077 0.000 1.317 102 A HN 0.654 nan 8.150 nan 0.000 0.414 103 K N 0.217 120.606 120.400 -0.018 0.000 1.991 103 K HA -0.122 4.200 4.320 0.003 0.000 0.212 103 K C 0.504 177.102 176.600 -0.003 0.000 1.049 103 K CA 2.726 59.005 56.287 -0.013 0.000 0.932 103 K CB -0.002 32.480 32.500 -0.031 0.000 0.717 103 K HN 0.671 nan 8.250 nan 0.000 0.441 104 D N -0.581 119.811 120.400 -0.013 0.000 2.369 104 D HA 0.104 4.746 4.640 0.003 0.000 0.211 104 D C -0.603 175.707 176.300 0.017 0.000 1.077 104 D CA 0.098 54.096 54.000 -0.003 0.000 0.842 104 D CB 0.946 41.735 40.800 -0.017 0.000 0.947 104 D HN -0.058 nan 8.370 nan 0.000 0.509 105 V N 1.048 120.993 119.914 0.051 0.000 2.733 105 V HA 0.306 4.428 4.120 0.003 0.000 0.306 105 V C -0.964 175.256 176.094 0.209 0.000 1.084 105 V CA -0.786 61.586 62.300 0.120 0.000 0.905 105 V CB 2.370 34.283 31.823 0.150 0.000 1.010 105 V HN -0.165 nan 8.190 nan 0.000 0.424 106 Q N 2.529 122.394 119.800 0.108 0.000 2.359 106 Q HA 0.819 5.161 4.340 0.003 0.000 0.274 106 Q C -1.331 174.616 176.000 -0.088 0.000 1.074 106 Q CA -0.571 55.246 55.803 0.023 0.000 0.810 106 Q CB 2.978 31.722 28.738 0.010 0.000 1.342 106 Q HN 0.534 nan 8.270 nan 0.000 0.427 107 V N 1.072 120.849 119.914 -0.228 0.000 2.577 107 V HA 0.486 4.609 4.120 0.003 0.000 0.303 107 V C -0.934 175.049 176.094 -0.184 0.000 1.042 107 V CA -0.727 61.431 62.300 -0.237 0.000 0.872 107 V CB 1.934 33.520 31.823 -0.396 0.000 0.998 107 V HN 0.758 nan 8.190 nan 0.000 0.423 108 E N 4.995 125.128 120.200 -0.111 0.000 2.165 108 E HA 0.629 4.981 4.350 0.003 0.000 0.266 108 E C -1.334 175.237 176.600 -0.049 0.000 0.889 108 E CA -0.626 55.730 56.400 -0.073 0.000 0.756 108 E CB 1.476 31.154 29.700 -0.037 0.000 1.131 108 E HN 0.666 nan 8.360 nan 0.000 0.411 109 M N 2.714 122.301 119.600 -0.022 0.000 2.311 109 M HA 0.347 4.829 4.480 0.003 0.000 0.325 109 M C -0.938 175.422 176.300 0.099 0.000 1.061 109 M CA -0.505 54.836 55.300 0.067 0.000 0.957 109 M CB 2.386 35.080 32.600 0.157 0.000 1.646 109 M HN 0.339 nan 8.290 nan 0.000 0.434 110 T N 3.648 118.234 114.554 0.054 0.000 2.841 110 T HA 0.609 4.961 4.350 0.003 0.000 0.285 110 T C -1.419 173.237 174.700 -0.073 0.000 0.991 110 T CA -0.549 61.544 62.100 -0.011 0.000 0.966 110 T CB 1.537 70.411 68.868 0.011 0.000 0.962 110 T HN 0.448 nan 8.240 nan 0.000 0.438 111 L N 4.268 125.356 121.223 -0.225 0.000 2.349 111 L HA 0.711 5.053 4.340 0.003 0.000 0.278 111 L C -0.516 176.305 176.870 -0.081 0.000 0.996 111 L CA -0.206 54.464 54.840 -0.283 0.000 0.825 111 L CB 0.896 42.509 42.059 -0.743 0.000 1.243 111 L HN 0.571 nan 8.230 nan 0.000 0.412 112 R N 3.248 123.765 120.500 0.028 0.000 2.836 112 R HA 0.562 4.904 4.340 0.003 0.000 0.269 112 R C -1.386 175.005 176.300 0.150 0.000 1.010 112 R CA -0.788 55.456 56.100 0.240 0.000 0.930 112 R CB 1.744 32.182 30.300 0.229 0.000 1.218 112 R HN 0.351 nan 8.270 nan 0.000 0.473 113 F N 0.040 120.133 119.950 0.238 0.000 2.375 113 F HA 0.361 4.889 4.527 0.003 0.000 0.333 113 F C 1.000 176.919 175.800 0.200 0.000 1.104 113 F CA 0.148 58.240 58.000 0.152 0.000 1.149 113 F CB 1.694 40.715 39.000 0.035 0.000 1.190 113 F HN 0.684 nan 8.300 nan 0.000 0.533 114 A N 0.977 123.970 122.820 0.289 0.000 2.026 114 A HA 0.291 4.613 4.320 0.003 0.000 0.201 114 A C 0.661 178.434 177.584 0.315 0.000 1.318 114 A CA 0.963 53.175 52.037 0.292 0.000 0.857 114 A CB -0.124 18.880 19.000 0.006 0.000 0.939 114 A HN 0.697 nan 8.150 nan 0.000 0.476 115 T N -5.255 109.454 114.554 0.259 0.000 2.778 115 T HA 0.526 4.878 4.350 0.003 0.000 0.293 115 T C -2.929 171.911 174.700 0.234 0.000 1.144 115 T CA -1.279 60.960 62.100 0.231 0.000 1.010 115 T CB 1.245 70.213 68.868 0.166 0.000 1.325 115 T HN -0.166 nan 8.240 nan 0.000 0.515 116 P HA 0.245 nan 4.420 nan 0.000 0.239 116 P C 0.695 178.162 177.300 0.278 0.000 1.184 116 P CA 0.263 63.468 63.100 0.175 0.000 0.760 116 P CB 0.134 31.942 31.700 0.179 0.000 0.884 117 R N -2.797 117.883 120.500 0.300 0.000 2.526 117 R HA 0.279 4.621 4.340 0.003 0.000 0.346 117 R C -0.198 176.373 176.300 0.452 0.000 0.926 117 R CA 0.340 56.663 56.100 0.372 0.000 1.147 117 R CB 0.518 30.953 30.300 0.225 0.000 1.629 117 R HN 0.042 nan 8.270 nan 0.000 0.516 118 T N 0.950 115.750 114.554 0.410 0.000 2.916 118 T HA 0.348 4.700 4.350 0.003 0.000 0.298 118 T C -0.470 174.359 174.700 0.215 0.000 1.031 118 T CA -0.537 61.760 62.100 0.328 0.000 0.993 118 T CB 2.494 71.423 68.868 0.103 0.000 1.045 118 T HN 0.078 nan 8.240 nan 0.000 0.454 119 S N 2.265 118.035 115.700 0.117 0.000 2.593 119 S HA 0.834 5.306 4.470 0.003 0.000 0.297 119 S C -0.864 173.654 174.600 -0.137 0.000 1.112 119 S CA -0.955 57.083 58.200 -0.270 0.000 1.043 119 S CB 1.503 64.412 63.200 -0.485 0.000 1.054 119 S HN 0.583 nan 8.310 nan 0.000 0.516 120 L N 2.298 123.428 121.223 -0.154 0.000 2.333 120 L HA 0.765 5.108 4.340 0.003 0.000 0.280 120 L C -1.394 175.415 176.870 -0.102 0.000 1.004 120 L CA -0.895 53.873 54.840 -0.119 0.000 0.820 120 L CB 1.586 43.622 42.059 -0.039 0.000 1.247 120 L HN 0.818 nan 8.230 nan 0.000 0.416 121 L N 4.409 125.549 121.223 -0.138 0.000 2.313 121 L HA 0.559 4.901 4.340 0.003 0.000 0.283 121 L C -0.608 176.246 176.870 -0.026 0.000 1.013 121 L CA -0.024 54.765 54.840 -0.085 0.000 0.816 121 L CB 1.552 43.552 42.059 -0.099 0.000 1.236 121 L HN 0.801 nan 8.230 nan 0.000 0.419 122 E N 2.993 123.190 120.200 -0.006 0.000 2.134 122 E HA 0.382 4.734 4.350 0.003 0.000 0.278 122 E C -1.204 175.303 176.600 -0.155 0.000 0.959 122 E CA -0.425 55.880 56.400 -0.158 0.000 0.783 122 E CB 0.975 30.697 29.700 0.037 0.000 1.095 122 E HN 0.702 nan 8.360 nan 0.000 0.399 123 T N 5.540 119.944 114.554 -0.251 0.000 2.893 123 T HA 0.182 4.534 4.350 0.003 0.000 0.324 123 T C -0.454 174.160 174.700 -0.143 0.000 1.082 123 T CA -0.538 61.497 62.100 -0.109 0.000 0.983 123 T CB 0.509 69.382 68.868 0.007 0.000 1.005 123 T HN 0.315 nan 8.240 nan 0.000 0.475 124 K N 5.154 125.490 120.400 -0.107 0.000 2.264 124 K HA 0.455 4.777 4.320 0.003 0.000 0.277 124 K C -0.760 175.803 176.600 -0.062 0.000 1.067 124 K CA -0.512 55.726 56.287 -0.081 0.000 0.900 124 K CB 0.347 32.816 32.500 -0.053 0.000 1.124 124 K HN 0.548 nan 8.250 nan 0.000 0.469 125 I N 3.780 124.322 120.570 -0.046 0.000 2.339 125 I HA 0.171 4.343 4.170 0.003 0.000 0.290 125 I C -0.298 175.808 176.117 -0.017 0.000 0.994 125 I CA -0.701 60.576 61.300 -0.038 0.000 1.191 125 I CB 2.042 40.026 38.000 -0.027 0.000 1.343 125 I HN 0.504 nan 8.210 nan 0.000 0.458 126 T N 4.388 118.935 114.554 -0.011 0.000 2.770 126 T HA 0.450 4.802 4.350 0.003 0.000 0.283 126 T C -0.385 174.323 174.700 0.013 0.000 0.988 126 T CA -0.523 61.579 62.100 0.003 0.000 0.957 126 T CB 1.211 70.081 68.868 0.004 0.000 0.930 126 T HN 0.584 nan 8.240 nan 0.000 0.443 127 S N 2.081 117.787 115.700 0.010 0.000 2.533 127 S HA 0.310 4.782 4.470 0.003 0.000 0.271 127 S C 0.670 175.273 174.600 0.005 0.000 1.143 127 S CA -0.865 57.341 58.200 0.010 0.000 0.891 127 S CB 0.925 64.128 63.200 0.004 0.000 1.105 127 S HN 0.726 nan 8.310 nan 0.000 0.468 128 N N 3.175 121.878 118.700 0.005 0.000 2.463 128 N HA 0.109 4.851 4.740 0.003 0.000 0.181 128 N C -0.089 175.424 175.510 0.004 0.000 1.078 128 N CA 0.254 53.307 53.050 0.005 0.000 0.902 128 N CB -0.013 38.476 38.487 0.003 0.000 0.970 128 N HN 0.530 nan 8.380 nan 0.000 0.451 129 K N -0.229 120.171 120.400 0.000 0.000 2.509 129 K HA 0.483 4.805 4.320 0.003 0.000 0.266 129 K C -2.968 173.625 176.600 -0.013 0.000 0.987 129 K CA -2.022 54.266 56.287 0.002 0.000 0.868 129 K CB 2.111 34.614 32.500 0.004 0.000 1.421 129 K HN -0.187 nan 8.250 nan 0.000 0.444 130 P HA 0.103 nan 4.420 nan 0.000 0.268 130 P C -1.024 176.209 177.300 -0.112 0.000 1.208 130 P CA 0.198 63.255 63.100 -0.072 0.000 0.777 130 P CB 0.473 32.195 31.700 0.037 0.000 0.875 131 L N 1.298 122.371 121.223 -0.249 0.000 2.415 131 L HA 0.482 4.824 4.340 0.003 0.000 0.256 131 L C -0.577 176.160 176.870 -0.222 0.000 1.010 131 L CA -0.816 53.933 54.840 -0.152 0.000 0.826 131 L CB 2.241 44.254 42.059 -0.077 0.000 1.405 131 L HN 0.174 nan 8.230 nan 0.000 0.410 132 D N 2.530 122.912 120.400 -0.030 0.000 2.344 132 D HA 0.522 5.164 4.640 0.003 0.000 0.239 132 D C -0.799 175.514 176.300 0.022 0.000 1.064 132 D CA -0.225 53.786 54.000 0.018 0.000 0.829 132 D CB 2.363 43.211 40.800 0.079 0.000 1.129 132 D HN 0.213 nan 8.370 nan 0.000 0.506 133 L N 1.423 122.597 121.223 -0.082 0.000 2.322 133 L HA 0.586 4.928 4.340 0.003 0.000 0.279 133 L C -0.218 176.457 176.870 -0.326 0.000 1.036 133 L CA -0.984 53.675 54.840 -0.302 0.000 0.807 133 L CB 1.776 43.488 42.059 -0.578 0.000 1.226 133 L HN -0.030 nan 8.230 nan 0.000 0.433 134 V N 1.219 120.899 119.914 -0.390 0.000 2.569 134 V HA 0.398 4.520 4.120 0.003 0.000 0.301 134 V C -0.991 174.956 176.094 -0.246 0.000 1.044 134 V CA -0.585 61.606 62.300 -0.181 0.000 0.874 134 V CB 2.137 33.941 31.823 -0.032 0.000 1.002 134 V HN 0.613 nan 8.190 nan 0.000 0.424 135 W N 4.254 125.594 121.300 0.067 0.000 2.475 135 W HA 0.547 5.209 4.660 0.004 0.000 0.317 135 W C -0.424 176.035 176.519 -0.099 0.000 1.046 135 W CA -0.456 56.921 57.345 0.053 0.000 1.215 135 W CB 2.142 31.697 29.460 0.157 0.000 1.335 135 W HN 0.725 nan 8.180 nan 0.000 0.471 136 D N 1.097 121.426 120.400 -0.118 0.000 2.477 136 D HA 0.771 5.413 4.640 0.003 0.000 0.234 136 D C -0.426 175.303 176.300 -0.952 0.000 1.048 136 D CA -0.525 53.109 54.000 -0.611 0.000 0.959 136 D CB 2.755 43.364 40.800 -0.317 0.000 1.408 136 D HN 0.416 nan 8.370 nan 0.000 0.496 137 G N -0.563 107.423 108.800 -1.357 0.000 2.632 137 G HA2 0.473 4.435 3.960 0.003 0.000 0.292 137 G HA3 0.473 4.435 3.960 0.003 0.000 0.292 137 G C -1.894 172.814 174.900 -0.320 0.000 1.465 137 G CA -0.781 43.827 45.100 -0.819 0.000 0.824 137 G HN 0.633 nan 8.290 nan 0.000 0.509 138 E N 0.468 120.721 120.200 0.087 0.000 2.335 138 E HA 0.419 4.771 4.350 0.003 0.000 0.280 138 E C -0.823 175.912 176.600 0.226 0.000 0.918 138 E CA -0.716 55.766 56.400 0.138 0.000 0.765 138 E CB 1.878 31.589 29.700 0.019 0.000 1.218 138 E HN 0.463 nan 8.360 nan 0.000 0.425 139 L N 4.119 125.462 121.223 0.200 0.000 2.417 139 L HA 0.306 4.648 4.340 0.003 0.000 0.268 139 L C 0.532 177.441 176.870 0.065 0.000 1.158 139 L CA -0.532 54.381 54.840 0.123 0.000 0.819 139 L CB 0.305 42.419 42.059 0.092 0.000 1.112 139 L HN 0.510 nan 8.230 nan 0.000 0.458 140 L N 1.769 123.019 121.223 0.045 0.000 2.482 140 L HA 0.003 4.345 4.340 0.003 0.000 0.273 140 L C 1.215 178.104 176.870 0.031 0.000 1.228 140 L CA 0.542 55.392 54.840 0.016 0.000 0.827 140 L CB 0.469 42.544 42.059 0.026 0.000 1.099 140 L HN 0.769 nan 8.230 nan 0.000 0.494 141 E N 0.644 120.841 120.200 -0.005 0.000 2.354 141 E HA 0.088 4.441 4.350 0.003 0.000 0.203 141 E C -0.009 176.606 176.600 0.024 0.000 0.841 141 E CA -0.142 56.267 56.400 0.015 0.000 1.046 141 E CB 0.594 30.290 29.700 -0.007 0.000 1.040 141 E HN 0.479 nan 8.360 nan 0.000 0.504 142 K N 1.482 121.864 120.400 -0.030 0.000 2.298 142 K HA 0.090 4.412 4.320 0.003 0.000 0.280 142 K C 0.779 177.475 176.600 0.160 0.000 1.032 142 K CA -0.347 55.961 56.287 0.035 0.000 0.958 142 K CB 1.775 34.209 32.500 -0.110 0.000 0.978 142 K HN 0.049 nan 8.250 nan 0.000 0.472 143 L N 2.699 124.030 121.223 0.180 0.000 1.993 143 L HA -0.070 4.272 4.340 0.003 0.000 0.206 143 L C 0.349 177.288 176.870 0.115 0.000 1.074 143 L CA 1.646 56.571 54.840 0.140 0.000 0.746 143 L CB -0.011 42.079 42.059 0.052 0.000 0.896 143 L HN 0.803 nan 8.230 nan 0.000 0.435 144 E N -0.901 119.331 120.200 0.053 0.000 2.356 144 E HA 0.678 5.031 4.350 0.003 0.000 0.275 144 E C -1.431 174.883 176.600 -0.476 0.000 0.904 144 E CA -0.756 55.525 56.400 -0.199 0.000 0.757 144 E CB 1.933 31.515 29.700 -0.196 0.000 1.232 144 E HN 0.199 nan 8.360 nan 0.000 0.442 145 A N 1.971 124.394 122.820 -0.662 0.000 2.594 145 A HA 0.630 4.952 4.320 0.003 0.000 0.295 145 A C -1.556 175.801 177.584 -0.379 0.000 1.071 145 A CA -0.918 50.681 52.037 -0.729 0.000 0.685 145 A CB 2.116 20.215 19.000 -1.501 0.000 1.285 145 A HN 0.563 nan 8.150 nan 0.000 0.405 146 K N 1.419 121.668 120.400 -0.252 0.000 2.483 146 K HA 0.445 4.767 4.320 0.003 0.000 0.256 146 K C -0.655 175.802 176.600 -0.240 0.000 0.961 146 K CA -0.254 55.937 56.287 -0.161 0.000 0.873 146 K CB 0.540 33.015 32.500 -0.042 0.000 1.107 146 K HN 0.588 nan 8.250 nan 0.000 0.432 147 E N 2.827 122.825 120.200 -0.337 0.000 2.269 147 E HA -0.241 4.111 4.350 0.003 0.000 0.223 147 E C 0.551 177.034 176.600 -0.194 0.000 1.244 147 E CA 1.495 57.665 56.400 -0.384 0.000 0.713 147 E CB -1.566 27.682 29.700 -0.754 0.000 1.178 147 E HN 1.172 nan 8.360 nan 0.000 0.370 148 G N -0.792 107.923 108.800 -0.142 0.000 2.225 148 G HA2 -0.327 3.635 3.960 0.003 0.000 0.254 148 G HA3 -0.327 3.635 3.960 0.003 0.000 0.254 148 G C 0.203 175.071 174.900 -0.053 0.000 0.988 148 G CA 0.594 45.671 45.100 -0.039 0.000 0.625 148 G HN 0.138 nan 8.290 nan 0.000 0.527 149 K N 1.980 122.313 120.400 -0.112 0.000 2.281 149 K HA 0.398 4.720 4.320 0.003 0.000 0.272 149 K C -2.347 174.149 176.600 -0.173 0.000 1.048 149 K CA -2.146 54.092 56.287 -0.083 0.000 0.898 149 K CB 1.841 34.324 32.500 -0.029 0.000 1.128 149 K HN 0.236 nan 8.250 nan 0.000 0.460 150 P HA -0.014 nan 4.420 nan 0.000 0.262 150 P C 0.532 177.759 177.300 -0.122 0.000 1.182 150 P CA 0.126 63.106 63.100 -0.201 0.000 0.761 150 P CB 0.689 32.397 31.700 0.014 0.000 0.795 151 L N 1.732 122.867 121.223 -0.147 0.000 2.395 151 L HA -0.006 4.336 4.340 0.003 0.000 0.218 151 L C 1.306 178.150 176.870 -0.044 0.000 1.130 151 L CA 0.847 55.639 54.840 -0.080 0.000 0.826 151 L CB -0.323 41.686 42.059 -0.083 0.000 0.941 151 L HN 0.590 nan 8.230 nan 0.000 0.451 152 S N -2.538 113.142 115.700 -0.033 0.000 2.656 152 S HA 0.131 4.603 4.470 0.003 0.000 0.265 152 S C -0.677 173.934 174.600 0.017 0.000 1.132 152 S CA -0.398 57.796 58.200 -0.009 0.000 0.819 152 S CB 1.004 64.195 63.200 -0.016 0.000 1.119 152 S HN 0.126 nan 8.310 nan 0.000 0.476 153 D N -0.370 120.041 120.400 0.019 0.000 2.340 153 D HA 0.199 4.841 4.640 0.003 0.000 0.217 153 D C 0.070 176.387 176.300 0.028 0.000 1.081 153 D CA -0.304 53.715 54.000 0.033 0.000 0.842 153 D CB -0.141 40.673 40.800 0.023 0.000 0.934 153 D HN 0.499 nan 8.370 nan 0.000 0.511 154 K N 0.636 121.044 120.400 0.014 0.000 2.414 154 K HA 0.215 4.537 4.320 0.003 0.000 0.272 154 K C 0.551 177.163 176.600 0.021 0.000 0.993 154 K CA 0.328 56.614 56.287 -0.002 0.000 0.964 154 K CB 0.534 33.013 32.500 -0.035 0.000 0.925 154 K HN 0.274 nan 8.250 nan 0.000 0.487 155 T N -1.482 113.079 114.554 0.012 0.000 2.952 155 T HA 0.349 4.701 4.350 0.003 0.000 0.286 155 T C 1.465 176.193 174.700 0.047 0.000 1.024 155 T CA -0.908 61.215 62.100 0.039 0.000 1.029 155 T CB 0.798 69.689 68.868 0.038 0.000 1.094 155 T HN 0.445 nan 8.240 nan 0.000 0.515 156 I N 1.012 121.648 120.570 0.110 0.000 2.179 156 I HA -0.107 4.065 4.170 0.003 0.000 0.242 156 I C 3.024 179.278 176.117 0.228 0.000 1.088 156 I CA 1.673 63.099 61.300 0.210 0.000 1.357 156 I CB -0.767 37.403 38.000 0.283 0.000 1.051 156 I HN 0.877 nan 8.210 nan 0.000 0.409 157 A N 0.921 123.849 122.820 0.180 0.000 1.933 157 A HA -0.123 4.199 4.320 0.003 0.000 0.218 157 A C 2.428 180.068 177.584 0.094 0.000 1.175 157 A CA 1.915 54.051 52.037 0.164 0.000 0.628 157 A CB -1.418 17.649 19.000 0.112 0.000 0.814 157 A HN 0.479 nan 8.150 nan 0.000 0.444 158 G N -0.578 108.246 108.800 0.039 0.000 2.402 158 G HA2 -0.216 3.746 3.960 0.003 0.000 0.216 158 G HA3 -0.216 3.746 3.960 0.003 0.000 0.216 158 G C 1.477 176.333 174.900 -0.074 0.000 1.162 158 G CA 1.284 46.381 45.100 -0.006 0.000 0.777 158 G HN 0.576 nan 8.290 nan 0.000 0.539 159 E N -0.349 119.745 120.200 -0.177 0.000 2.107 159 E HA -0.023 4.329 4.350 0.003 0.000 0.191 159 E C -0.096 176.143 176.600 -0.601 0.000 0.982 159 E CA 0.500 56.623 56.400 -0.461 0.000 0.809 159 E CB -0.103 29.163 29.700 -0.723 0.000 0.756 159 E HN 0.483 nan 8.360 nan 0.000 0.459 160 Y N -0.891 119.432 120.300 0.039 0.000 2.787 160 Y HA 0.336 4.887 4.550 0.002 0.000 0.352 160 Y C -2.054 173.906 175.900 0.099 0.000 1.027 160 Y CA -2.778 55.346 58.100 0.039 0.000 1.219 160 Y CB 1.339 39.784 38.460 -0.025 0.000 1.110 160 Y HN 0.046 nan 8.280 nan 0.000 0.614 161 P HA -0.146 nan 4.420 nan 0.000 0.218 161 P C 0.792 178.187 177.300 0.159 0.000 1.146 161 P CA 1.630 64.811 63.100 0.136 0.000 0.813 161 P CB 0.474 32.224 31.700 0.083 0.000 0.778 162 D N -2.842 117.668 120.400 0.182 0.000 2.349 162 D HA -0.068 4.574 4.640 0.003 0.000 0.215 162 D C 1.542 177.992 176.300 0.249 0.000 1.016 162 D CA 0.293 54.395 54.000 0.170 0.000 0.870 162 D CB -0.425 40.453 40.800 0.130 0.000 0.917 162 D HN 0.136 nan 8.370 nan 0.000 0.524 163 Y N 1.900 122.279 120.300 0.133 0.000 2.207 163 Y HA -0.181 4.371 4.550 0.003 0.000 0.287 163 Y C 0.656 176.642 175.900 0.143 0.000 1.156 163 Y CA 1.037 59.221 58.100 0.139 0.000 1.182 163 Y CB -0.367 38.192 38.460 0.165 0.000 0.979 163 Y HN 0.039 nan 8.280 nan 0.000 0.521 164 Q N 1.236 121.149 119.800 0.187 0.000 2.417 164 Q HA -0.289 4.053 4.340 0.003 0.000 0.350 164 Q C -0.262 175.691 176.000 -0.079 0.000 1.364 164 Q CA 0.496 56.329 55.803 0.050 0.000 1.024 164 Q CB -1.313 27.458 28.738 0.056 0.000 1.235 164 Q HN 0.450 nan 8.270 nan 0.000 0.388 165 R N 1.483 121.874 120.500 -0.182 0.000 2.522 165 R HA 0.212 4.554 4.340 0.003 0.000 0.284 165 R C 0.226 176.391 176.300 -0.225 0.000 1.032 165 R CA 0.440 56.343 56.100 -0.330 0.000 1.049 165 R CB 0.571 30.680 30.300 -0.319 0.000 0.956 165 R HN 0.148 nan 8.270 nan 0.000 0.422 166 K N 3.994 124.220 120.400 -0.289 0.000 2.535 166 K HA 0.257 4.579 4.320 0.003 0.000 0.250 166 K C -1.066 175.435 176.600 -0.165 0.000 0.948 166 K CA -0.662 55.523 56.287 -0.170 0.000 0.796 166 K CB 1.077 33.500 32.500 -0.129 0.000 1.216 166 K HN 0.347 nan 8.250 nan 0.000 0.432 167 I N 2.657 123.183 120.570 -0.074 0.000 2.353 167 I HA 0.326 4.498 4.170 0.003 0.000 0.293 167 I C -0.122 175.965 176.117 -0.051 0.000 0.992 167 I CA -0.437 60.842 61.300 -0.036 0.000 1.268 167 I CB 1.218 39.258 38.000 0.066 0.000 1.387 167 I HN 0.531 nan 8.210 nan 0.000 0.478 168 S N 3.574 119.227 115.700 -0.078 0.000 2.541 168 S HA 0.749 5.221 4.470 0.003 0.000 0.280 168 S C -0.137 174.399 174.600 -0.107 0.000 1.112 168 S CA -0.666 57.488 58.200 -0.077 0.000 0.925 168 S CB 2.242 65.398 63.200 -0.074 0.000 1.067 168 S HN 0.766 nan 8.310 nan 0.000 0.479 169 A N 2.090 124.855 122.820 -0.092 0.000 2.371 169 A HA 0.727 5.049 4.320 0.003 0.000 0.257 169 A C 0.540 178.057 177.584 -0.111 0.000 1.089 169 A CA -0.262 51.708 52.037 -0.112 0.000 0.794 169 A CB 0.002 18.958 19.000 -0.075 0.000 1.029 169 A HN 0.866 nan 8.150 nan 0.000 0.488 170 T N -1.727 112.744 114.554 -0.139 0.000 2.907 170 T HA 0.492 4.844 4.350 0.003 0.000 0.290 170 T C 0.984 175.616 174.700 -0.113 0.000 1.066 170 T CA -0.308 61.714 62.100 -0.130 0.000 1.012 170 T CB 1.277 70.032 68.868 -0.190 0.000 1.184 170 T HN 0.784 nan 8.240 nan 0.000 0.522 171 R N 0.633 121.083 120.500 -0.085 0.000 2.152 171 R HA -0.048 4.294 4.340 0.003 0.000 0.232 171 R C 0.374 176.630 176.300 -0.073 0.000 1.117 171 R CA 1.856 57.919 56.100 -0.062 0.000 0.981 171 R CB -0.650 29.629 30.300 -0.036 0.000 0.870 171 R HN 0.720 nan 8.270 nan 0.000 0.451 172 D N -0.888 119.448 120.400 -0.106 0.000 2.623 172 D HA 0.297 4.939 4.640 0.003 0.000 0.252 172 D C 0.567 176.745 176.300 -0.203 0.000 1.294 172 D CA 0.078 54.011 54.000 -0.113 0.000 0.824 172 D CB 0.868 41.645 40.800 -0.038 0.000 1.070 172 D HN 0.370 nan 8.370 nan 0.000 0.487 173 G N 0.192 108.851 108.800 -0.235 0.000 2.374 173 G HA2 0.320 4.282 3.960 0.003 0.000 0.067 173 G HA3 0.320 4.282 3.960 0.003 0.000 0.067 173 G C -1.366 173.355 174.900 -0.300 0.000 1.023 173 G CA -0.164 44.760 45.100 -0.294 0.000 1.131 173 G HN 0.595 nan 8.290 nan 0.000 0.436 174 L N -1.968 119.052 121.223 -0.339 0.000 2.801 174 L HA 0.972 5.314 4.340 0.003 0.000 0.264 174 L C -1.339 175.390 176.870 -0.235 0.000 1.086 174 L CA -0.977 53.684 54.840 -0.299 0.000 0.920 174 L CB 2.080 43.884 42.059 -0.426 0.000 1.529 174 L HN 1.085 nan 8.230 nan 0.000 0.399 175 K N -0.163 120.144 120.400 -0.155 0.000 2.551 175 K HA 0.806 5.128 4.320 0.003 0.000 0.269 175 K C -2.005 174.557 176.600 -0.064 0.000 0.949 175 K CA -0.933 55.302 56.287 -0.086 0.000 0.849 175 K CB 2.510 34.952 32.500 -0.097 0.000 1.411 175 K HN 0.428 nan 8.250 nan 0.000 0.432 176 V N 1.745 121.625 119.914 -0.057 0.000 2.448 176 V HA 0.481 4.603 4.120 0.003 0.000 0.295 176 V C -0.321 175.462 176.094 -0.517 0.000 1.025 176 V CA -0.491 61.651 62.300 -0.262 0.000 0.859 176 V CB 1.428 33.100 31.823 -0.252 0.000 0.988 176 V HN 0.999 nan 8.190 nan 0.000 0.431 177 T N 1.365 115.568 114.554 -0.585 0.000 2.925 177 T HA 0.839 5.191 4.350 0.003 0.000 0.285 177 T C -0.924 173.299 174.700 -0.795 0.000 1.021 177 T CA -0.509 61.292 62.100 -0.499 0.000 1.042 177 T CB 1.537 70.288 68.868 -0.195 0.000 1.037 177 T HN 0.199 nan 8.240 nan 0.000 0.481 178 F N -0.064 119.871 119.950 -0.025 0.000 2.556 178 F HA 0.665 5.193 4.527 0.002 0.000 0.314 178 F C 0.938 176.767 175.800 0.047 0.000 1.106 178 F CA -0.966 57.009 58.000 -0.042 0.000 0.911 178 F CB 1.878 40.892 39.000 0.024 0.000 1.190 178 F HN 1.009 nan 8.300 nan 0.000 0.448 179 G N 0.899 109.847 108.800 0.246 0.000 2.616 179 G HA2 0.269 4.231 3.960 0.003 0.000 0.268 179 G HA3 0.269 4.231 3.960 0.003 0.000 0.268 179 G C -0.977 174.051 174.900 0.213 0.000 1.213 179 G CA -0.769 44.445 45.100 0.190 0.000 0.926 179 G HN 0.641 nan 8.290 nan 0.000 0.523 180 K N -0.373 120.106 120.400 0.132 0.000 2.312 180 K HA 0.409 4.731 4.320 0.003 0.000 0.287 180 K C -1.006 175.632 176.600 0.064 0.000 1.062 180 K CA -0.324 56.015 56.287 0.086 0.000 0.934 180 K CB 0.635 33.169 32.500 0.057 0.000 1.027 180 K HN 0.111 nan 8.250 nan 0.000 0.478 181 V N 5.886 125.806 119.914 0.011 0.000 2.483 181 V HA 0.358 4.480 4.120 0.003 0.000 0.297 181 V C -0.288 175.753 176.094 -0.089 0.000 1.027 181 V CA -0.956 61.311 62.300 -0.054 0.000 0.855 181 V CB 1.611 33.308 31.823 -0.209 0.000 0.995 181 V HN 0.718 nan 8.190 nan 0.000 0.424 182 R N 3.313 123.779 120.500 -0.056 0.000 3.472 182 R HA 0.465 4.807 4.340 0.003 0.000 0.322 182 R C 0.272 176.527 176.300 -0.075 0.000 1.330 182 R CA -0.311 55.749 56.100 -0.066 0.000 1.387 182 R CB 0.971 31.245 30.300 -0.044 0.000 1.446 182 R HN 0.702 nan 8.270 nan 0.000 0.628 183 A N 0.847 123.608 122.820 -0.097 0.000 2.807 183 A HA 0.210 4.532 4.320 0.003 0.000 0.307 183 A C 1.168 178.684 177.584 -0.113 0.000 1.532 183 A CA -0.243 51.754 52.037 -0.068 0.000 1.215 183 A CB -0.164 18.809 19.000 -0.046 0.000 1.127 183 A HN 0.388 nan 8.150 nan 0.000 0.543 184 T N 1.201 115.622 114.554 -0.222 0.000 2.684 184 T HA -0.276 4.076 4.350 0.003 0.000 0.267 184 T C 0.862 175.386 174.700 -0.293 0.000 1.032 184 T CA 2.412 64.251 62.100 -0.433 0.000 1.155 184 T CB -0.314 67.990 68.868 -0.940 0.000 0.857 184 T HN 0.882 nan 8.240 nan 0.000 0.457 185 W N 0.454 121.830 121.300 0.127 0.000 3.132 185 W HA 0.348 5.014 4.660 0.009 0.000 0.364 185 W C 1.342 177.497 176.519 -0.606 0.000 1.129 185 W CA -0.759 56.636 57.345 0.084 0.000 1.815 185 W CB 0.640 30.258 29.460 0.264 0.000 1.099 185 W HN 0.204 nan 8.180 nan 0.000 0.605 186 D N -0.971 119.130 120.400 -0.499 0.000 2.412 186 D HA 0.125 4.767 4.640 0.003 0.000 0.298 186 D C -0.465 175.524 176.300 -0.518 0.000 1.136 186 D CA 0.276 53.920 54.000 -0.593 0.000 0.988 186 D CB 0.861 41.596 40.800 -0.108 0.000 1.712 186 D HN -0.124 nan 8.370 nan 0.000 0.503 187 L N 1.598 122.604 121.223 -0.361 0.000 2.543 187 L HA 0.438 4.780 4.340 0.003 0.000 0.265 187 L C -2.203 174.514 176.870 -0.256 0.000 0.945 187 L CA -0.385 54.231 54.840 -0.373 0.000 0.869 187 L CB 1.902 43.452 42.059 -0.849 0.000 1.294 187 L HN -0.150 nan 8.230 nan 0.000 0.405 188 L N 4.747 125.880 121.223 -0.150 0.000 2.372 188 L HA 0.804 5.146 4.340 0.003 0.000 0.274 188 L C -0.512 176.233 176.870 -0.209 0.000 0.988 188 L CA -0.367 54.382 54.840 -0.152 0.000 0.833 188 L CB 2.206 44.205 42.059 -0.100 0.000 1.236 188 L HN 0.775 nan 8.230 nan 0.000 0.410 189 T N -2.449 112.007 114.554 -0.163 0.000 2.909 189 T HA 0.278 4.630 4.350 0.003 0.000 0.299 189 T C 0.710 175.375 174.700 -0.058 0.000 1.073 189 T CA -0.162 61.869 62.100 -0.115 0.000 0.999 189 T CB 1.881 70.745 68.868 -0.008 0.000 1.098 189 T HN 0.491 nan 8.240 nan 0.000 0.477 190 S N 0.577 116.254 115.700 -0.039 0.000 2.470 190 S HA 0.380 4.852 4.470 0.003 0.000 0.225 190 S C 1.948 176.575 174.600 0.044 0.000 1.006 190 S CA 0.733 58.939 58.200 0.011 0.000 0.934 190 S CB -0.692 62.525 63.200 0.029 0.000 0.778 190 S HN 2.284 nan 8.310 nan 0.000 0.517 191 G N 1.137 109.982 108.800 0.075 0.000 2.194 191 G HA2 -0.221 3.741 3.960 0.003 0.000 0.236 191 G HA3 -0.221 3.741 3.960 0.003 0.000 0.236 191 G C 0.408 175.363 174.900 0.092 0.000 0.987 191 G CA 0.268 45.424 45.100 0.093 0.000 0.635 191 G HN 0.601 nan 8.290 nan 0.000 0.520 192 E N 0.355 120.606 120.200 0.086 0.000 2.562 192 E HA 0.261 4.613 4.350 0.003 0.000 0.214 192 E C 1.037 177.699 176.600 0.104 0.000 0.979 192 E CA 0.429 56.876 56.400 0.078 0.000 1.002 192 E CB 0.810 30.542 29.700 0.054 0.000 1.048 192 E HN 0.595 nan 8.360 nan 0.000 0.488 193 S N 1.168 116.959 115.700 0.152 0.000 2.592 193 S HA 0.299 4.771 4.470 0.003 0.000 0.271 193 S C -0.007 174.822 174.600 0.383 0.000 1.326 193 S CA -0.442 57.883 58.200 0.208 0.000 1.024 193 S CB 1.334 64.641 63.200 0.178 0.000 0.921 193 S HN 0.086 nan 8.310 nan 0.000 0.527 194 E N 0.130 120.561 120.200 0.386 0.000 2.430 194 E HA 0.310 4.662 4.350 0.003 0.000 0.279 194 E C -2.107 174.797 176.600 0.507 0.000 1.003 194 E CA -0.701 55.927 56.400 0.381 0.000 0.801 194 E CB 1.555 31.347 29.700 0.153 0.000 1.313 194 E HN 0.685 nan 8.360 nan 0.000 0.459 195 Y N 1.646 122.107 120.300 0.268 0.000 2.338 195 Y HA 0.261 4.812 4.550 0.003 0.000 0.328 195 Y C -1.054 174.905 175.900 0.098 0.000 0.965 195 Y CA -0.335 57.877 58.100 0.186 0.000 1.208 195 Y CB 1.156 39.690 38.460 0.122 0.000 1.132 195 Y HN 0.355 nan 8.280 nan 0.000 0.469 196 Q N 4.428 124.077 119.800 -0.251 0.000 2.266 196 Q HA 0.706 5.048 4.340 0.003 0.000 0.261 196 Q C -1.343 174.531 176.000 -0.209 0.000 0.985 196 Q CA -1.308 54.395 55.803 -0.166 0.000 0.873 196 Q CB 2.972 31.730 28.738 0.033 0.000 1.306 196 Q HN 0.450 nan 8.270 nan 0.000 0.447 197 V N 2.351 122.159 119.914 -0.177 0.000 2.407 197 V HA 0.318 4.440 4.120 0.003 0.000 0.291 197 V C -1.165 174.753 176.094 -0.293 0.000 1.018 197 V CA -0.775 61.463 62.300 -0.103 0.000 0.842 197 V CB 1.111 32.924 31.823 -0.016 0.000 0.996 197 V HN 0.711 nan 8.190 nan 0.000 0.426 198 H N 2.996 121.953 119.070 -0.189 0.000 2.495 198 H HA 0.697 5.255 4.556 0.003 0.000 0.348 198 H C -0.406 174.797 175.328 -0.208 0.000 1.113 198 H CA -0.604 55.338 56.048 -0.176 0.000 1.195 198 H CB 1.796 31.470 29.762 -0.146 0.000 1.521 198 H HN 0.524 nan 8.280 nan 0.000 0.509 199 K N 0.488 120.830 120.400 -0.097 0.000 2.385 199 K HA 0.249 4.571 4.320 0.003 0.000 0.248 199 K C 0.383 176.946 176.600 -0.062 0.000 0.955 199 K CA -0.667 55.538 56.287 -0.138 0.000 0.816 199 K CB 2.216 34.552 32.500 -0.275 0.000 1.250 199 K HN 0.674 nan 8.250 nan 0.000 0.434 200 S N 0.593 116.279 115.700 -0.023 0.000 2.522 200 S HA -0.001 4.471 4.470 0.003 0.000 0.227 200 S C 0.774 175.385 174.600 0.017 0.000 0.986 200 S CA -0.125 58.092 58.200 0.029 0.000 0.929 200 S CB -0.652 62.619 63.200 0.118 0.000 0.769 200 S HN 0.541 nan 8.310 nan 0.000 0.529 201 L N -1.447 119.766 121.223 -0.017 0.000 2.370 201 L HA 0.811 5.153 4.340 0.003 0.000 0.266 201 L C -3.384 173.473 176.870 -0.022 0.000 1.002 201 L CA -2.618 52.225 54.840 0.005 0.000 0.818 201 L CB 1.214 43.299 42.059 0.043 0.000 1.325 201 L HN -0.264 nan 8.230 nan 0.000 0.418 202 P HA 0.266 nan 4.420 nan 0.000 0.268 202 P C -1.033 176.278 177.300 0.018 0.000 1.205 202 P CA -0.199 62.901 63.100 0.000 0.000 0.771 202 P CB 1.265 32.976 31.700 0.019 0.000 0.858 203 V N -0.021 119.890 119.914 -0.005 0.000 2.932 203 V HA 0.436 4.558 4.120 0.003 0.000 0.307 203 V C -1.071 175.039 176.094 0.027 0.000 1.147 203 V CA -0.924 61.399 62.300 0.038 0.000 0.951 203 V CB 2.162 33.976 31.823 -0.014 0.000 1.031 203 V HN 0.334 nan 8.190 nan 0.000 0.426 204 Q N 1.941 121.778 119.800 0.062 0.000 2.303 204 Q HA 0.527 4.869 4.340 0.003 0.000 0.257 204 Q C -0.553 175.480 176.000 0.055 0.000 0.941 204 Q CA -0.281 55.546 55.803 0.040 0.000 0.931 204 Q CB 1.813 30.574 28.738 0.038 0.000 1.215 204 Q HN 0.875 nan 8.270 nan 0.000 0.437 205 T N 2.491 117.061 114.554 0.027 0.000 2.794 205 T HA 0.271 4.623 4.350 0.003 0.000 0.280 205 T C -0.570 174.157 174.700 0.045 0.000 0.987 205 T CA -0.559 61.569 62.100 0.046 0.000 0.993 205 T CB 1.247 70.098 68.868 -0.027 0.000 0.939 205 T HN 0.479 nan 8.240 nan 0.000 0.449 206 E N 3.404 123.654 120.200 0.083 0.000 2.176 206 E HA 0.418 4.770 4.350 0.003 0.000 0.267 206 E C -0.915 175.739 176.600 0.091 0.000 0.893 206 E CA -0.768 55.668 56.400 0.060 0.000 0.761 206 E CB 0.664 30.388 29.700 0.040 0.000 1.133 206 E HN 0.351 nan 8.360 nan 0.000 0.409 207 I N 3.664 124.271 120.570 0.063 0.000 2.377 207 I HA 0.308 4.480 4.170 0.003 0.000 0.293 207 I C -0.754 175.393 176.117 0.049 0.000 0.987 207 I CA -0.871 60.474 61.300 0.076 0.000 1.185 207 I CB 1.008 39.036 38.000 0.048 0.000 1.341 207 I HN 0.535 nan 8.210 nan 0.000 0.455 208 N N 4.426 123.158 118.700 0.054 0.000 2.617 208 N HA 0.542 5.284 4.740 0.003 0.000 0.263 208 N C 0.560 176.089 175.510 0.032 0.000 1.074 208 N CA 0.076 53.143 53.050 0.030 0.000 0.841 208 N CB 1.770 40.266 38.487 0.015 0.000 1.221 208 N HN 0.937 nan 8.380 nan 0.000 0.529 209 G N 2.093 110.910 108.800 0.028 0.000 2.561 209 G HA2 -0.384 3.578 3.960 0.003 0.000 0.289 209 G HA3 -0.384 3.578 3.960 0.003 0.000 0.289 209 G C 0.296 175.223 174.900 0.044 0.000 1.169 209 G CA -0.027 45.090 45.100 0.027 0.000 0.980 209 G HN 0.533 nan 8.290 nan 0.000 0.550 210 N N 2.387 121.117 118.700 0.049 0.000 2.313 210 N HA 0.145 4.887 4.740 0.003 0.000 0.207 210 N C 0.897 176.478 175.510 0.118 0.000 1.141 210 N CA 0.998 54.094 53.050 0.077 0.000 0.830 210 N CB 0.070 38.593 38.487 0.060 0.000 1.008 210 N HN 0.839 nan 8.380 nan 0.000 0.481 211 R N -0.219 120.340 120.500 0.098 0.000 2.837 211 R HA 0.622 4.964 4.340 0.003 0.000 0.271 211 R C -0.992 175.383 176.300 0.124 0.000 0.993 211 R CA -0.829 55.315 56.100 0.073 0.000 0.931 211 R CB 1.192 31.482 30.300 -0.017 0.000 1.206 211 R HN -0.102 nan 8.270 nan 0.000 0.474 212 F N -1.616 118.314 119.950 -0.033 0.000 2.643 212 F HA 0.755 5.284 4.527 0.003 0.000 0.314 212 F C -1.646 174.127 175.800 -0.045 0.000 1.096 212 F CA -0.853 57.118 58.000 -0.049 0.000 0.953 212 F CB 2.424 41.376 39.000 -0.081 0.000 1.345 212 F HN 0.493 nan 8.300 nan 0.000 0.468 213 T N 1.371 116.037 114.554 0.185 0.000 2.991 213 T HA 0.566 4.918 4.350 0.003 0.000 0.303 213 T C -1.292 173.574 174.700 0.277 0.000 1.015 213 T CA -0.720 61.436 62.100 0.093 0.000 1.007 213 T CB 1.494 70.365 68.868 0.005 0.000 1.034 213 T HN 0.717 nan 8.240 nan 0.000 0.446 214 S N 2.784 118.699 115.700 0.359 0.000 2.500 214 S HA 0.643 5.115 4.470 0.003 0.000 0.301 214 S C -0.582 174.253 174.600 0.391 0.000 1.092 214 S CA -0.988 57.428 58.200 0.360 0.000 1.030 214 S CB 1.365 64.802 63.200 0.395 0.000 1.031 214 S HN 0.528 nan 8.310 nan 0.000 0.483 215 K N 1.198 121.768 120.400 0.283 0.000 2.385 215 K HA 0.883 5.205 4.320 0.003 0.000 0.248 215 K C -1.102 175.663 176.600 0.275 0.000 0.955 215 K CA -0.861 55.563 56.287 0.229 0.000 0.816 215 K CB 2.207 34.757 32.500 0.083 0.000 1.250 215 K HN 0.661 nan 8.250 nan 0.000 0.434 216 A N 1.422 124.398 122.820 0.260 0.000 2.589 216 A HA 0.390 4.712 4.320 0.003 0.000 0.296 216 A C -2.001 175.697 177.584 0.190 0.000 1.062 216 A CA -0.669 51.524 52.037 0.260 0.000 0.686 216 A CB 1.337 20.585 19.000 0.414 0.000 1.282 216 A HN 0.768 nan 8.150 nan 0.000 0.404 217 H N 1.694 120.815 119.070 0.085 0.000 2.495 217 H HA 0.711 5.269 4.556 0.003 0.000 0.348 217 H C -1.380 173.986 175.328 0.062 0.000 1.113 217 H CA -0.382 55.699 56.048 0.055 0.000 1.195 217 H CB 1.354 31.137 29.762 0.035 0.000 1.521 217 H HN 0.788 nan 8.280 nan 0.000 0.509 218 I N 1.566 121.907 120.570 -0.381 0.000 2.689 218 I HA 0.346 4.518 4.170 0.003 0.000 0.299 218 I C 0.297 176.256 176.117 -0.263 0.000 1.059 218 I CA -0.809 60.393 61.300 -0.163 0.000 1.055 218 I CB 1.524 39.479 38.000 -0.075 0.000 1.243 218 I HN 0.391 nan 8.210 nan 0.000 0.425 219 N N 2.661 121.346 118.700 -0.024 0.000 2.398 219 N HA 0.343 5.085 4.740 0.003 0.000 0.188 219 N C 0.509 176.019 175.510 0.000 0.000 1.122 219 N CA 0.705 53.774 53.050 0.033 0.000 0.866 219 N CB 0.895 39.437 38.487 0.091 0.000 0.970 219 N HN 1.005 nan 8.380 nan 0.000 0.462 220 G N -0.576 108.211 108.800 -0.021 0.000 2.360 220 G HA2 0.047 4.009 3.960 0.003 0.000 0.276 220 G HA3 0.047 4.009 3.960 0.003 0.000 0.276 220 G C -1.427 173.469 174.900 -0.006 0.000 1.256 220 G CA -0.728 44.365 45.100 -0.010 0.000 0.890 220 G HN -0.018 nan 8.290 nan 0.000 0.486 221 S N 0.014 115.715 115.700 0.003 0.000 2.593 221 S HA 0.465 4.937 4.470 0.003 0.000 0.300 221 S C 0.260 174.866 174.600 0.011 0.000 1.267 221 S CA 1.213 59.416 58.200 0.005 0.000 1.065 221 S CB 0.711 63.917 63.200 0.009 0.000 0.807 221 S HN 1.116 nan 8.310 nan 0.000 0.499 222 T N 2.334 116.892 114.554 0.007 0.000 2.932 222 T HA 0.492 4.844 4.350 0.003 0.000 0.318 222 T C -1.227 173.470 174.700 -0.004 0.000 1.265 222 T CA -0.573 61.536 62.100 0.015 0.000 1.036 222 T CB 1.538 70.422 68.868 0.027 0.000 1.209 222 T HN 0.430 nan 8.240 nan 0.000 0.484 223 T N 4.496 119.045 114.554 -0.010 0.000 2.786 223 T HA 0.658 5.010 4.350 0.003 0.000 0.283 223 T C -0.385 174.228 174.700 -0.145 0.000 0.992 223 T CA -0.539 61.507 62.100 -0.091 0.000 0.954 223 T CB 0.493 69.325 68.868 -0.060 0.000 0.934 223 T HN 0.693 nan 8.240 nan 0.000 0.440 224 L N 0.744 121.813 121.223 -0.257 0.000 2.286 224 L HA 0.918 5.260 4.340 0.003 0.000 0.265 224 L C -1.496 175.018 176.870 -0.593 0.000 1.012 224 L CA -1.194 53.509 54.840 -0.227 0.000 0.818 224 L CB 1.166 43.200 42.059 -0.043 0.000 1.337 224 L HN 0.434 nan 8.230 nan 0.000 0.438 225 Y N -1.217 119.064 120.300 -0.030 0.000 2.462 225 Y HA 0.756 5.308 4.550 0.003 0.000 0.346 225 Y C -0.359 175.454 175.900 -0.144 0.000 0.976 225 Y CA -0.594 57.463 58.100 -0.071 0.000 1.044 225 Y CB 2.800 41.228 38.460 -0.054 0.000 1.230 225 Y HN 0.653 nan 8.280 nan 0.000 0.455 226 T N 1.382 115.876 114.554 -0.100 0.000 2.916 226 T HA 0.508 4.860 4.350 0.003 0.000 0.298 226 T C -0.680 173.772 174.700 -0.413 0.000 1.031 226 T CA -1.024 60.900 62.100 -0.294 0.000 0.993 226 T CB 1.381 69.983 68.868 -0.442 0.000 1.045 226 T HN 0.625 nan 8.240 nan 0.000 0.454 227 T N 0.369 114.698 114.554 -0.375 0.000 2.855 227 T HA 0.733 5.085 4.350 0.003 0.000 0.281 227 T C -1.410 173.080 174.700 -0.350 0.000 1.007 227 T CA -0.750 61.151 62.100 -0.330 0.000 1.009 227 T CB 0.829 69.591 68.868 -0.178 0.000 0.983 227 T HN 0.408 nan 8.240 nan 0.000 0.455 228 Y N 0.669 120.928 120.300 -0.069 0.000 2.331 228 Y HA 0.633 5.185 4.550 0.003 0.000 0.334 228 Y C 0.114 175.844 175.900 -0.282 0.000 0.960 228 Y CA -1.135 56.841 58.100 -0.205 0.000 1.130 228 Y CB 2.237 40.722 38.460 0.042 0.000 1.164 228 Y HN 0.811 nan 8.280 nan 0.000 0.458 229 S N 1.887 117.386 115.700 -0.336 0.000 2.557 229 S HA 0.283 4.755 4.470 0.003 0.000 0.291 229 S C -1.691 172.815 174.600 -0.157 0.000 1.116 229 S CA -0.759 57.328 58.200 -0.187 0.000 0.992 229 S CB 1.055 64.243 63.200 -0.020 0.000 1.028 229 S HN 0.629 nan 8.310 nan 0.000 0.484 230 H N 3.016 122.051 119.070 -0.058 0.000 2.581 230 H HA 0.599 5.157 4.556 0.003 0.000 0.308 230 H C -1.369 174.074 175.328 0.193 0.000 1.040 230 H CA -0.791 55.375 56.048 0.196 0.000 1.231 230 H CB 0.016 29.980 29.762 0.335 0.000 1.396 230 H HN 0.490 nan 8.280 nan 0.000 0.467 231 L N 6.364 127.596 121.223 0.015 0.000 2.305 231 L HA 0.212 4.554 4.340 0.003 0.000 0.284 231 L C 0.254 177.016 176.870 -0.180 0.000 1.013 231 L CA -0.749 54.044 54.840 -0.077 0.000 0.819 231 L CB 1.655 43.729 42.059 0.026 0.000 1.227 231 L HN 0.549 nan 8.230 nan 0.000 0.417 232 L N 1.690 122.754 121.223 -0.265 0.000 2.509 232 L HA 0.142 4.484 4.340 0.003 0.000 0.222 232 L C 1.031 177.866 176.870 -0.057 0.000 1.123 232 L CA 0.633 55.320 54.840 -0.254 0.000 0.856 232 L CB -0.192 41.578 42.059 -0.481 0.000 0.985 232 L HN 0.802 nan 8.230 nan 0.000 0.456 233 T N -6.393 108.165 114.554 0.005 0.000 2.841 233 T HA 0.651 5.003 4.350 0.003 0.000 0.296 233 T C 0.884 175.603 174.700 0.032 0.000 1.166 233 T CA -0.251 61.875 62.100 0.044 0.000 1.007 233 T CB 1.490 70.403 68.868 0.074 0.000 1.253 233 T HN -0.169 nan 8.240 nan 0.000 0.511 234 A N 0.403 123.243 122.820 0.033 0.000 1.902 234 A HA -0.053 4.269 4.320 0.003 0.000 0.217 234 A C 2.179 179.773 177.584 0.017 0.000 1.181 234 A CA 1.838 53.891 52.037 0.026 0.000 0.623 234 A CB -1.169 17.845 19.000 0.023 0.000 0.818 234 A HN 0.796 nan 8.150 nan 0.000 0.443 235 Q N 0.157 119.965 119.800 0.013 0.000 2.084 235 Q HA -0.151 4.191 4.340 0.003 0.000 0.202 235 Q C 1.876 177.878 176.000 0.002 0.000 0.978 235 Q CA 1.910 57.715 55.803 0.004 0.000 0.844 235 Q CB -0.361 28.374 28.738 -0.004 0.000 0.898 235 Q HN 0.801 nan 8.270 nan 0.000 0.426 236 E N -0.350 119.853 120.200 0.005 0.000 2.110 236 E HA -0.132 4.220 4.350 0.003 0.000 0.193 236 E C 1.985 178.590 176.600 0.009 0.000 0.988 236 E CA 1.247 57.649 56.400 0.003 0.000 0.804 236 E CB -0.033 29.664 29.700 -0.005 0.000 0.745 236 E HN 0.138 nan 8.360 nan 0.000 0.458 237 V N 1.136 121.059 119.914 0.015 0.000 2.295 237 V HA -0.259 3.863 4.120 0.003 0.000 0.246 237 V C 2.308 178.409 176.094 0.011 0.000 1.049 237 V CA 1.878 64.191 62.300 0.022 0.000 1.024 237 V CB -0.414 31.428 31.823 0.032 0.000 0.648 237 V HN 0.196 nan 8.190 nan 0.000 0.447 238 S N -0.605 115.100 115.700 0.008 0.000 2.348 238 S HA -0.242 4.230 4.470 0.003 0.000 0.221 238 S C 2.047 176.644 174.600 -0.006 0.000 1.033 238 S CA 1.782 59.983 58.200 0.001 0.000 1.010 238 S CB -0.335 62.865 63.200 0.001 0.000 0.891 238 S HN 0.570 nan 8.310 nan 0.000 0.442 239 K N 0.897 121.294 120.400 -0.004 0.000 2.147 239 K HA -0.134 4.188 4.320 0.003 0.000 0.205 239 K C 1.988 178.582 176.600 -0.011 0.000 1.049 239 K CA 1.351 57.635 56.287 -0.005 0.000 0.936 239 K CB -0.076 32.424 32.500 0.000 0.000 0.722 239 K HN 0.139 nan 8.250 nan 0.000 0.446 240 E N 0.501 120.693 120.200 -0.013 0.000 2.208 240 E HA -0.132 4.220 4.350 0.003 0.000 0.193 240 E C 1.885 178.438 176.600 -0.079 0.000 0.988 240 E CA 0.899 57.281 56.400 -0.030 0.000 0.828 240 E CB 0.107 29.797 29.700 -0.017 0.000 0.763 240 E HN 0.238 nan 8.360 nan 0.000 0.478 241 Q N -0.061 119.693 119.800 -0.076 0.000 2.112 241 Q HA -0.213 4.129 4.340 0.003 0.000 0.206 241 Q C 2.316 178.249 176.000 -0.111 0.000 0.987 241 Q CA 2.067 57.801 55.803 -0.114 0.000 0.858 241 Q CB -0.726 27.976 28.738 -0.059 0.000 0.905 241 Q HN 0.619 nan 8.270 nan 0.000 0.420 242 M N -0.771 118.789 119.600 -0.067 0.000 2.229 242 M HA -0.081 4.401 4.480 0.003 0.000 0.264 242 M C 1.620 177.884 176.300 -0.061 0.000 1.063 242 M CA 1.376 56.644 55.300 -0.054 0.000 1.114 242 M CB -0.315 32.268 32.600 -0.029 0.000 1.387 242 M HN -0.086 nan 8.290 nan 0.000 0.420 243 Q N 1.338 121.101 119.800 -0.061 0.000 2.079 243 Q HA -0.023 4.319 4.340 0.003 0.000 0.200 243 Q C 2.383 178.296 176.000 -0.145 0.000 0.974 243 Q CA 1.314 57.081 55.803 -0.060 0.000 0.840 243 Q CB -0.517 28.202 28.738 -0.031 0.000 0.898 243 Q HN 0.585 nan 8.270 nan 0.000 0.430 244 I N 0.858 121.313 120.570 -0.192 0.000 2.226 244 I HA -0.245 3.927 4.170 0.003 0.000 0.245 244 I C 2.355 178.336 176.117 -0.226 0.000 1.100 244 I CA 1.303 62.438 61.300 -0.275 0.000 1.374 244 I CB -0.875 36.849 38.000 -0.460 0.000 1.057 244 I HN 0.232 nan 8.210 nan 0.000 0.413 245 R N 0.468 120.866 120.500 -0.170 0.000 2.081 245 R HA -0.176 4.166 4.340 0.003 0.000 0.235 245 R C 1.898 178.146 176.300 -0.088 0.000 1.131 245 R CA 1.498 57.531 56.100 -0.112 0.000 0.960 245 R CB -0.274 29.979 30.300 -0.078 0.000 0.856 245 R HN 0.388 nan 8.270 nan 0.000 0.436 246 D N 0.616 120.972 120.400 -0.073 0.000 2.144 246 D HA -0.105 4.537 4.640 0.003 0.000 0.200 246 D C 1.924 178.212 176.300 -0.020 0.000 0.978 246 D CA 1.007 54.999 54.000 -0.013 0.000 0.833 246 D CB -0.108 40.725 40.800 0.056 0.000 0.961 246 D HN 0.210 nan 8.370 nan 0.000 0.470 247 I N 0.599 121.022 120.570 -0.245 0.000 2.179 247 I HA -0.240 3.932 4.170 0.003 0.000 0.242 247 I C 2.328 178.307 176.117 -0.231 0.000 1.088 247 I CA 0.773 61.757 61.300 -0.527 0.000 1.357 247 I CB -0.149 37.431 38.000 -0.700 0.000 1.051 247 I HN -0.030 nan 8.210 nan 0.000 0.409 248 L N 0.314 121.433 121.223 -0.173 0.000 2.275 248 L HA -0.126 4.216 4.340 0.003 0.000 0.215 248 L C 2.587 179.409 176.870 -0.080 0.000 1.119 248 L CA 0.867 55.639 54.840 -0.113 0.000 0.790 248 L CB -0.553 41.463 42.059 -0.072 0.000 0.919 248 L HN 0.243 nan 8.230 nan 0.000 0.443 249 A N -0.382 122.408 122.820 -0.051 0.000 2.081 249 A HA 0.043 4.365 4.320 0.003 0.000 0.214 249 A C 1.586 179.174 177.584 0.008 0.000 1.158 249 A CA 0.522 52.547 52.037 -0.021 0.000 0.724 249 A CB 0.069 19.056 19.000 -0.020 0.000 0.826 249 A HN 0.316 nan 8.150 nan 0.000 0.463 250 R N -0.723 119.809 120.500 0.054 0.000 2.647 250 R HA 0.143 4.485 4.340 0.003 0.000 0.295 250 R C -2.120 174.340 176.300 0.267 0.000 1.267 250 R CA -1.129 55.089 56.100 0.196 0.000 1.386 250 R CB 0.949 31.310 30.300 0.102 0.000 1.309 250 R HN 0.295 nan 8.270 nan 0.000 0.692 251 P HA -0.237 nan 4.420 nan 0.000 0.216 251 P C 1.225 178.514 177.300 -0.018 0.000 1.153 251 P CA 1.610 64.586 63.100 -0.206 0.000 0.858 251 P CB 0.357 31.409 31.700 -1.081 0.000 0.789 252 A N -0.879 121.910 122.820 -0.052 0.000 1.978 252 A HA -0.155 4.167 4.320 0.003 0.000 0.220 252 A C 2.102 179.654 177.584 -0.053 0.000 1.170 252 A CA 1.309 53.318 52.037 -0.047 0.000 0.636 252 A CB -1.770 17.151 19.000 -0.131 0.000 0.810 252 A HN 0.099 nan 8.150 nan 0.000 0.448 253 F N -2.021 117.931 119.950 0.004 0.000 2.186 253 F HA -0.107 4.422 4.527 0.003 0.000 0.299 253 F C 2.134 177.872 175.800 -0.103 0.000 1.090 253 F CA 1.402 59.364 58.000 -0.063 0.000 1.307 253 F CB -0.491 38.431 39.000 -0.130 0.000 1.019 253 F HN 0.269 nan 8.300 nan 0.000 0.489 254 Y N -0.188 120.218 120.300 0.177 0.000 2.263 254 Y HA -0.139 4.413 4.550 0.003 0.000 0.292 254 Y C 2.241 178.214 175.900 0.121 0.000 1.130 254 Y CA 1.023 59.202 58.100 0.131 0.000 1.179 254 Y CB -0.577 37.938 38.460 0.091 0.000 0.998 254 Y HN -0.041 nan 8.280 nan 0.000 0.532 255 L N -1.080 120.281 121.223 0.230 0.000 2.017 255 L HA -0.234 4.108 4.340 0.003 0.000 0.208 255 L C 2.296 179.246 176.870 0.134 0.000 1.073 255 L CA 1.723 56.667 54.840 0.173 0.000 0.745 255 L CB -0.989 41.151 42.059 0.135 0.000 0.894 255 L HN 0.174 nan 8.230 nan 0.000 0.432 256 T N -0.024 114.575 114.554 0.075 0.000 2.746 256 T HA -0.168 4.184 4.350 0.003 0.000 0.267 256 T C 2.033 176.777 174.700 0.074 0.000 1.039 256 T CA 1.286 63.412 62.100 0.042 0.000 1.142 256 T CB -0.244 68.599 68.868 -0.042 0.000 0.866 256 T HN 0.447 nan 8.240 nan 0.000 0.444 257 A N 1.140 124.007 122.820 0.078 0.000 1.883 257 A HA -0.131 4.191 4.320 0.003 0.000 0.217 257 A C 2.577 180.251 177.584 0.150 0.000 1.186 257 A CA 2.263 54.349 52.037 0.080 0.000 0.624 257 A CB -1.134 17.888 19.000 0.037 0.000 0.822 257 A HN 0.477 nan 8.150 nan 0.000 0.444 258 S N -1.039 114.799 115.700 0.231 0.000 2.356 258 S HA -0.256 4.216 4.470 0.003 0.000 0.223 258 S C 2.245 177.081 174.600 0.393 0.000 1.032 258 S CA 1.728 60.148 58.200 0.367 0.000 1.005 258 S CB -0.425 63.013 63.200 0.396 0.000 0.867 258 S HN 0.668 nan 8.310 nan 0.000 0.449 259 Q N 0.132 120.087 119.800 0.260 0.000 2.061 259 Q HA -0.214 4.128 4.340 0.003 0.000 0.204 259 Q C 2.329 178.450 176.000 0.201 0.000 0.984 259 Q CA 1.952 57.889 55.803 0.224 0.000 0.846 259 Q CB -0.247 28.575 28.738 0.139 0.000 0.902 259 Q HN 0.716 nan 8.270 nan 0.000 0.421 260 Q N -0.290 119.586 119.800 0.125 0.000 2.119 260 Q HA -0.163 4.179 4.340 0.003 0.000 0.201 260 Q C 2.161 178.159 176.000 -0.002 0.000 0.972 260 Q CA 1.161 57.001 55.803 0.061 0.000 0.847 260 Q CB -0.178 28.578 28.738 0.029 0.000 0.903 260 Q HN 0.282 nan 8.270 nan 0.000 0.433 261 R N -0.003 120.485 120.500 -0.019 0.000 2.081 261 R HA -0.173 4.169 4.340 0.003 0.000 0.235 261 R C 1.489 177.441 176.300 -0.580 0.000 1.131 261 R CA 1.521 57.448 56.100 -0.288 0.000 0.960 261 R CB -0.086 30.104 30.300 -0.183 0.000 0.856 261 R HN 0.303 nan 8.270 nan 0.000 0.436 262 W N 0.830 122.055 121.300 -0.125 0.000 2.518 262 W HA -0.004 4.658 4.660 0.003 0.000 0.273 262 W C 2.176 178.735 176.519 0.068 0.000 1.247 262 W CA 0.217 57.602 57.345 0.067 0.000 1.288 262 W CB 0.178 29.776 29.460 0.229 0.000 1.107 262 W HN 0.089 nan 8.180 nan 0.000 0.586 263 E N 0.266 120.590 120.200 0.208 0.000 2.150 263 E HA -0.222 4.130 4.350 0.003 0.000 0.193 263 E C 1.785 178.434 176.600 0.082 0.000 0.985 263 E CA 1.335 57.830 56.400 0.157 0.000 0.814 263 E CB -0.402 29.366 29.700 0.114 0.000 0.752 263 E HN 0.512 nan 8.360 nan 0.000 0.466 264 E N -0.243 119.936 120.200 -0.036 0.000 2.072 264 E HA -0.175 4.177 4.350 0.003 0.000 0.191 264 E C 1.704 178.301 176.600 -0.006 0.000 0.985 264 E CA 0.640 56.996 56.400 -0.073 0.000 0.801 264 E CB -0.043 29.548 29.700 -0.182 0.000 0.750 264 E HN 0.176 nan 8.360 nan 0.000 0.452 265 Y N 0.877 121.169 120.300 -0.012 0.000 2.128 265 Y HA -0.200 4.352 4.550 0.003 0.000 0.284 265 Y C 2.224 178.129 175.900 0.008 0.000 1.154 265 Y CA 1.051 59.138 58.100 -0.023 0.000 1.149 265 Y CB -0.596 37.758 38.460 -0.177 0.000 0.976 265 Y HN 0.096 nan 8.280 nan 0.000 0.505 266 L N -0.557 120.794 121.223 0.214 0.000 2.056 266 L HA -0.195 4.147 4.340 0.003 0.000 0.207 266 L C 2.444 179.397 176.870 0.139 0.000 1.078 266 L CA 1.504 56.431 54.840 0.143 0.000 0.749 266 L CB -0.516 41.657 42.059 0.189 0.000 0.901 266 L HN 0.063 nan 8.230 nan 0.000 0.433 267 K N 0.965 121.445 120.400 0.133 0.000 2.026 267 K HA -0.151 4.171 4.320 0.003 0.000 0.208 267 K C 2.016 178.691 176.600 0.125 0.000 1.048 267 K CA 1.584 57.941 56.287 0.116 0.000 0.929 267 K CB -0.018 32.532 32.500 0.083 0.000 0.713 267 K HN 0.116 nan 8.250 nan 0.000 0.439 268 K N -1.243 119.234 120.400 0.128 0.000 2.155 268 K HA 0.023 4.345 4.320 0.003 0.000 0.203 268 K C 2.081 178.815 176.600 0.223 0.000 1.052 268 K CA 1.184 57.556 56.287 0.142 0.000 0.948 268 K CB -0.105 32.465 32.500 0.118 0.000 0.728 268 K HN 0.330 nan 8.250 nan 0.000 0.448 269 G N 1.177 110.119 108.800 0.238 0.000 2.411 269 G HA2 -0.048 3.914 3.960 0.003 0.000 0.213 269 G HA3 -0.048 3.914 3.960 0.003 0.000 0.213 269 G C 0.713 175.853 174.900 0.400 0.000 1.166 269 G CA -0.045 45.240 45.100 0.309 0.000 0.802 269 G HN 0.065 nan 8.290 nan 0.000 0.533 270 L N 3.077 124.452 121.223 0.253 0.000 2.399 270 L HA 0.228 4.570 4.340 0.003 0.000 0.257 270 L C 1.095 178.165 176.870 0.332 0.000 1.236 270 L CA -0.054 54.967 54.840 0.302 0.000 1.144 270 L CB 0.187 42.343 42.059 0.162 0.000 1.379 270 L HN 0.194 nan 8.230 nan 0.000 0.414 271 T N -3.706 111.062 114.554 0.358 0.000 3.129 271 T HA 0.071 4.423 4.350 0.003 0.000 0.267 271 T C 0.638 175.382 174.700 0.073 0.000 1.018 271 T CA -0.472 61.743 62.100 0.192 0.000 0.903 271 T CB -0.164 68.802 68.868 0.164 0.000 1.067 271 T HN 0.250 nan 8.240 nan 0.000 0.549 272 N N 3.300 122.004 118.700 0.006 0.000 2.558 272 N HA 0.260 5.002 4.740 0.003 0.000 0.233 272 N C -1.466 174.015 175.510 -0.049 0.000 1.038 272 N CA -2.379 50.545 53.050 -0.210 0.000 0.934 272 N CB 1.655 39.694 38.487 -0.747 0.000 1.175 272 N HN 0.093 nan 8.380 nan 0.000 0.512 273 P HA 0.011 nan 4.420 nan 0.000 0.230 273 P C -0.297 177.009 177.300 0.009 0.000 1.158 273 P CA 0.803 63.916 63.100 0.022 0.000 0.769 273 P CB 0.605 32.316 31.700 0.019 0.000 0.807 274 D N -0.371 120.013 120.400 -0.026 0.000 2.369 274 D HA 0.184 4.826 4.640 0.003 0.000 0.211 274 D C 0.887 177.175 176.300 -0.020 0.000 1.077 274 D CA -0.007 53.981 54.000 -0.021 0.000 0.842 274 D CB 0.459 41.241 40.800 -0.031 0.000 0.947 274 D HN 0.141 nan 8.370 nan 0.000 0.509 275 A N 1.114 123.925 122.820 -0.015 0.000 2.351 275 A HA 0.438 4.760 4.320 0.003 0.000 0.257 275 A C 0.946 178.560 177.584 0.050 0.000 1.087 275 A CA -0.329 51.721 52.037 0.022 0.000 0.798 275 A CB 0.348 19.423 19.000 0.126 0.000 1.033 275 A HN 0.132 nan 8.150 nan 0.000 0.488 276 T N -0.566 113.991 114.554 0.005 0.000 2.816 276 T HA 0.428 4.780 4.350 0.003 0.000 0.282 276 T C -2.038 172.710 174.700 0.080 0.000 0.993 276 T CA -1.328 60.782 62.100 0.017 0.000 0.994 276 T CB 0.696 69.540 68.868 -0.040 0.000 1.025 276 T HN 0.298 nan 8.240 nan 0.000 0.529 277 P HA -0.051 nan 4.420 nan 0.000 0.216 277 P C 1.202 178.595 177.300 0.155 0.000 1.150 277 P CA 0.960 64.137 63.100 0.128 0.000 0.837 277 P CB 0.051 31.806 31.700 0.093 0.000 0.786 278 E N -0.400 119.886 120.200 0.143 0.000 2.072 278 E HA -0.178 4.174 4.350 0.003 0.000 0.191 278 E C 2.115 178.873 176.600 0.262 0.000 0.985 278 E CA 1.233 57.761 56.400 0.212 0.000 0.801 278 E CB -0.909 28.960 29.700 0.282 0.000 0.750 278 E HN 0.396 nan 8.360 nan 0.000 0.452 279 Q N -0.203 119.673 119.800 0.127 0.000 2.119 279 Q HA -0.074 4.268 4.340 0.003 0.000 0.201 279 Q C 2.012 178.165 176.000 0.254 0.000 0.972 279 Q CA 1.639 57.491 55.803 0.081 0.000 0.847 279 Q CB -0.120 28.505 28.738 -0.188 0.000 0.903 279 Q HN 0.246 nan 8.270 nan 0.000 0.433 280 T N 0.752 115.440 114.554 0.223 0.000 2.777 280 T HA -0.152 4.200 4.350 0.003 0.000 0.266 280 T C 1.689 176.373 174.700 -0.026 0.000 1.040 280 T CA 1.224 63.388 62.100 0.106 0.000 1.141 280 T CB -0.157 68.845 68.868 0.223 0.000 0.868 280 T HN 0.269 nan 8.240 nan 0.000 0.444 281 R N 0.810 121.376 120.500 0.110 0.000 2.120 281 R HA -0.063 4.279 4.340 0.003 0.000 0.234 281 R C 2.151 178.474 176.300 0.039 0.000 1.123 281 R CA 0.993 57.149 56.100 0.093 0.000 0.975 281 R CB -0.433 29.973 30.300 0.177 0.000 0.866 281 R HN 0.229 nan 8.270 nan 0.000 0.446 282 V N 0.953 120.928 119.914 0.101 0.000 2.427 282 V HA -0.178 3.944 4.120 0.003 0.000 0.248 282 V C 2.468 178.602 176.094 0.067 0.000 1.051 282 V CA 1.791 64.174 62.300 0.139 0.000 1.048 282 V CB -0.583 31.411 31.823 0.286 0.000 0.666 282 V HN 0.547 nan 8.190 nan 0.000 0.456 283 A N -0.162 122.611 122.820 -0.079 0.000 1.902 283 A HA -0.153 4.169 4.320 0.003 0.000 0.217 283 A C 2.377 179.837 177.584 -0.207 0.000 1.181 283 A CA 2.043 53.944 52.037 -0.227 0.000 0.623 283 A CB -0.616 17.812 19.000 -0.955 0.000 0.818 283 A HN 0.344 nan 8.150 nan 0.000 0.443 284 V N 0.190 119.940 119.914 -0.274 0.000 2.358 284 V HA -0.245 3.877 4.120 0.003 0.000 0.246 284 V C 2.506 178.521 176.094 -0.131 0.000 1.047 284 V CA 2.282 64.404 62.300 -0.296 0.000 1.035 284 V CB -0.641 30.874 31.823 -0.513 0.000 0.658 284 V HN 0.695 nan 8.190 nan 0.000 0.452 285 K N 0.459 120.828 120.400 -0.051 0.000 2.063 285 K HA -0.202 4.120 4.320 0.003 0.000 0.208 285 K C 2.169 178.786 176.600 0.028 0.000 1.048 285 K CA 1.671 57.971 56.287 0.022 0.000 0.928 285 K CB -0.324 32.213 32.500 0.061 0.000 0.713 285 K HN 0.428 nan 8.250 nan 0.000 0.442 286 A N 1.165 123.996 122.820 0.019 0.000 1.898 286 A HA -0.111 4.211 4.320 0.003 0.000 0.216 286 A C 2.079 179.617 177.584 -0.077 0.000 1.181 286 A CA 1.363 53.419 52.037 0.032 0.000 0.620 286 A CB -0.494 18.576 19.000 0.117 0.000 0.819 286 A HN 0.346 nan 8.150 nan 0.000 0.442 287 I N -0.587 119.821 120.570 -0.270 0.000 2.179 287 I HA -0.249 3.923 4.170 0.003 0.000 0.242 287 I C 2.540 178.588 176.117 -0.115 0.000 1.088 287 I CA 1.538 62.500 61.300 -0.563 0.000 1.357 287 I CB -0.394 37.128 38.000 -0.795 0.000 1.051 287 I HN 0.429 nan 8.210 nan 0.000 0.409 288 E N 0.165 120.403 120.200 0.063 0.000 2.077 288 E HA -0.190 4.162 4.350 0.003 0.000 0.193 288 E C 2.138 178.862 176.600 0.206 0.000 0.989 288 E CA 1.835 58.381 56.400 0.244 0.000 0.800 288 E CB -0.050 29.746 29.700 0.160 0.000 0.746 288 E HN 0.475 nan 8.360 nan 0.000 0.452 289 T N 1.402 116.028 114.554 0.120 0.000 2.737 289 T HA -0.113 4.239 4.350 0.003 0.000 0.265 289 T C 1.988 176.742 174.700 0.090 0.000 1.038 289 T CA 0.803 62.966 62.100 0.105 0.000 1.144 289 T CB -0.186 68.730 68.868 0.078 0.000 0.866 289 T HN 0.070 nan 8.240 nan 0.000 0.434 290 L N 1.102 122.377 121.223 0.088 0.000 2.017 290 L HA -0.094 4.248 4.340 0.003 0.000 0.208 290 L C 2.559 179.504 176.870 0.123 0.000 1.073 290 L CA 0.990 55.884 54.840 0.090 0.000 0.745 290 L CB -0.573 41.582 42.059 0.160 0.000 0.894 290 L HN 0.175 nan 8.230 nan 0.000 0.432 291 N N 0.289 119.091 118.700 0.170 0.000 2.223 291 N HA -0.120 4.622 4.740 0.003 0.000 0.185 291 N C 1.789 177.461 175.510 0.271 0.000 1.016 291 N CA 1.398 54.605 53.050 0.262 0.000 0.863 291 N CB -0.454 38.139 38.487 0.177 0.000 0.983 291 N HN 0.359 nan 8.380 nan 0.000 0.429 292 G N 0.141 109.057 108.800 0.193 0.000 2.511 292 G HA2 -0.141 3.821 3.960 0.003 0.000 0.217 292 G HA3 -0.141 3.821 3.960 0.003 0.000 0.217 292 G C 1.310 176.153 174.900 -0.095 0.000 1.133 292 G CA 0.228 45.379 45.100 0.085 0.000 0.792 292 G HN 0.258 nan 8.290 nan 0.000 0.539 293 N N -0.548 118.130 118.700 -0.038 0.000 2.336 293 N HA 0.059 4.801 4.740 0.003 0.000 0.189 293 N C -0.042 175.440 175.510 -0.047 0.000 1.113 293 N CA -0.405 52.577 53.050 -0.113 0.000 0.858 293 N CB 0.113 38.554 38.487 -0.076 0.000 0.970 293 N HN 0.522 nan 8.380 nan 0.000 0.471 294 W N 3.069 124.256 121.300 -0.188 0.000 2.287 294 W HA 0.353 5.015 4.660 0.003 0.000 0.313 294 W C -0.509 175.879 176.519 -0.218 0.000 1.267 294 W CA -0.810 56.436 57.345 -0.165 0.000 1.201 294 W CB 0.486 29.869 29.460 -0.127 0.000 1.196 294 W HN -0.236 nan 8.180 nan 0.000 0.536 295 R N 4.592 125.150 120.500 0.098 0.000 2.670 295 R HA 0.346 4.688 4.340 0.003 0.000 0.289 295 R C 0.091 176.503 176.300 0.187 0.000 0.965 295 R CA -0.686 55.299 56.100 -0.190 0.000 0.899 295 R CB 1.690 31.786 30.300 -0.339 0.000 1.173 295 R HN 0.717 nan 8.270 nan 0.000 0.456 296 S N 2.036 117.856 115.700 0.200 0.000 2.624 296 S HA 0.411 4.883 4.470 0.003 0.000 0.263 296 S C -2.307 172.570 174.600 0.463 0.000 1.287 296 S CA -1.177 57.253 58.200 0.384 0.000 0.990 296 S CB 0.452 63.849 63.200 0.328 0.000 0.950 296 S HN 0.253 nan 8.310 nan 0.000 0.561 297 P HA 0.376 nan 4.420 nan 0.000 0.266 297 P C -0.127 177.245 177.300 0.120 0.000 1.193 297 P CA 0.413 63.625 63.100 0.186 0.000 0.770 297 P CB 0.205 31.934 31.700 0.049 0.000 0.836 298 G N 0.449 109.205 108.800 -0.074 0.000 2.750 298 G HA2 0.515 4.477 3.960 0.003 0.000 0.298 298 G HA3 0.515 4.477 3.960 0.003 0.000 0.298 298 G C -0.091 174.070 174.900 -1.230 0.000 1.412 298 G CA 0.225 44.934 45.100 -0.652 0.000 1.078 298 G HN 0.791 nan 8.290 nan 0.000 0.573 299 G N 1.065 108.631 108.800 -2.056 0.000 2.583 299 G HA2 0.095 4.057 3.960 0.003 0.000 0.292 299 G HA3 0.095 4.057 3.960 0.003 0.000 0.292 299 G C 1.653 176.163 174.900 -0.650 0.000 1.203 299 G CA 1.795 45.843 45.100 -1.754 0.000 0.987 299 G HN 2.173 nan 8.290 nan 0.000 0.554 300 A N -0.849 121.748 122.820 -0.370 0.000 2.119 300 A HA 0.469 4.791 4.320 0.003 0.000 0.217 300 A C 1.367 179.102 177.584 0.252 0.000 1.153 300 A CA 1.898 53.927 52.037 -0.012 0.000 0.692 300 A CB -0.127 18.806 19.000 -0.111 0.000 0.799 300 A HN 1.465 nan 8.150 nan 0.000 0.458 301 V N 1.891 121.883 119.914 0.130 0.000 2.372 301 V HA 0.105 4.227 4.120 0.003 0.000 0.261 301 V C 0.588 176.767 176.094 0.142 0.000 1.055 301 V CA -0.292 62.168 62.300 0.266 0.000 0.930 301 V CB 0.903 32.861 31.823 0.226 0.000 1.031 301 V HN 0.275 nan 8.190 nan 0.000 0.479 302 K N 3.691 124.170 120.400 0.130 0.000 2.505 302 K HA 0.249 4.571 4.320 0.003 0.000 0.192 302 K C -0.283 176.057 176.600 -0.433 0.000 1.025 302 K CA 0.414 56.585 56.287 -0.193 0.000 1.086 302 K CB -0.066 32.227 32.500 -0.345 0.000 0.840 302 K HN 0.494 nan 8.250 nan 0.000 0.514 303 F N 0.163 120.186 119.950 0.121 0.000 2.611 303 F HA 0.303 4.832 4.527 0.003 0.000 0.324 303 F C 0.847 176.739 175.800 0.154 0.000 1.061 303 F CA -1.156 56.917 58.000 0.122 0.000 0.954 303 F CB 0.748 39.816 39.000 0.113 0.000 1.301 303 F HN -0.219 nan 8.300 nan 0.000 0.482 304 N N 0.565 119.487 118.700 0.370 0.000 2.453 304 N HA 0.256 4.998 4.740 0.003 0.000 0.253 304 N C -0.384 175.282 175.510 0.260 0.000 1.252 304 N CA 0.540 53.794 53.050 0.340 0.000 0.917 304 N CB 1.414 40.081 38.487 0.301 0.000 1.117 304 N HN 0.615 nan 8.380 nan 0.000 0.442 305 T N -0.314 114.393 114.554 0.255 0.000 2.731 305 T HA 0.512 4.864 4.350 0.003 0.000 0.300 305 T C -1.627 173.148 174.700 0.125 0.000 1.283 305 T CA -0.509 61.675 62.100 0.141 0.000 1.005 305 T CB 1.073 70.020 68.868 0.132 0.000 1.420 305 T HN 0.046 nan 8.240 nan 0.000 0.503 306 V N 2.545 122.484 119.914 0.042 0.000 2.638 306 V HA 0.642 4.764 4.120 0.003 0.000 0.306 306 V C 0.421 176.516 176.094 0.001 0.000 1.052 306 V CA -0.733 61.578 62.300 0.019 0.000 0.885 306 V CB 1.676 33.480 31.823 -0.032 0.000 0.999 306 V HN 1.143 nan 8.190 nan 0.000 0.424 307 T N 1.971 116.519 114.554 -0.010 0.000 2.936 307 T HA 0.499 4.851 4.350 0.003 0.000 0.282 307 T C -2.069 172.592 174.700 -0.065 0.000 1.003 307 T CA -2.117 60.005 62.100 0.037 0.000 1.005 307 T CB 2.129 71.042 68.868 0.075 0.000 1.097 307 T HN 0.365 nan 8.240 nan 0.000 0.532 308 P HA 0.090 nan 4.420 nan 0.000 0.218 308 P C 0.153 177.307 177.300 -0.243 0.000 1.149 308 P CA 0.786 63.609 63.100 -0.462 0.000 0.817 308 P CB 0.226 31.306 31.700 -1.032 0.000 0.785 309 S N -2.320 113.383 115.700 0.005 0.000 2.582 309 S HA 0.120 4.592 4.470 0.003 0.000 0.296 309 S C 0.283 174.897 174.600 0.024 0.000 1.118 309 S CA -0.633 57.602 58.200 0.059 0.000 0.947 309 S CB 0.566 63.881 63.200 0.190 0.000 1.131 309 S HN -0.192 nan 8.310 nan 0.000 0.453 310 V N 4.927 124.770 119.914 -0.118 0.000 2.720 310 V HA -0.031 4.091 4.120 0.003 0.000 0.256 310 V C 2.030 178.026 176.094 -0.163 0.000 1.082 310 V CA 2.844 64.972 62.300 -0.287 0.000 1.101 310 V CB -0.478 30.949 31.823 -0.659 0.000 0.693 310 V HN 1.054 nan 8.190 nan 0.000 0.479 311 T N -2.518 112.016 114.554 -0.033 0.000 3.086 311 T HA 0.314 4.666 4.350 0.003 0.000 0.250 311 T C 0.955 175.684 174.700 0.049 0.000 1.074 311 T CA 0.350 62.470 62.100 0.034 0.000 0.988 311 T CB -0.014 68.914 68.868 0.099 0.000 0.988 311 T HN 0.563 nan 8.240 nan 0.000 0.530 312 G N 1.347 110.188 108.800 0.068 0.000 2.483 312 G HA2 0.348 4.310 3.960 0.003 0.000 0.248 312 G HA3 0.348 4.310 3.960 0.003 0.000 0.248 312 G C 0.785 175.681 174.900 -0.006 0.000 1.248 312 G CA -0.710 44.451 45.100 0.102 0.000 0.838 312 G HN 0.212 nan 8.290 nan 0.000 0.566 313 R N 1.065 121.503 120.500 -0.105 0.000 2.091 313 R HA -0.079 4.263 4.340 0.003 0.000 0.238 313 R C 1.082 176.924 176.300 -0.764 0.000 1.136 313 R CA 1.742 57.419 56.100 -0.705 0.000 0.959 313 R CB -0.225 29.359 30.300 -1.193 0.000 0.856 313 R HN 0.746 nan 8.270 nan 0.000 0.437 314 W N -2.182 119.007 121.300 -0.186 0.000 2.684 314 W HA 0.312 4.973 4.660 0.001 0.000 0.381 314 W C -0.101 176.494 176.519 0.127 0.000 0.975 314 W CA -0.745 56.577 57.345 -0.038 0.000 1.789 314 W CB 0.551 29.935 29.460 -0.127 0.000 1.161 314 W HN -0.101 nan 8.180 nan 0.000 0.564 315 F N -0.715 119.418 119.950 0.304 0.000 2.688 315 F HA 0.328 4.857 4.527 0.003 0.000 0.310 315 F C 1.395 177.284 175.800 0.147 0.000 1.098 315 F CA -0.800 57.356 58.000 0.261 0.000 1.228 315 F CB -0.509 38.553 39.000 0.103 0.000 1.042 315 F HN -0.325 nan 8.300 nan 0.000 0.557 316 S N -0.772 115.051 115.700 0.204 0.000 2.607 316 S HA 0.652 5.124 4.470 0.003 0.000 0.272 316 S C 1.090 175.666 174.600 -0.039 0.000 1.166 316 S CA 0.372 58.584 58.200 0.022 0.000 1.021 316 S CB 0.346 63.530 63.200 -0.028 0.000 1.113 316 S HN 0.613 nan 8.310 nan 0.000 0.531 317 G N 1.894 110.621 108.800 -0.121 0.000 2.574 317 G HA2 -0.291 3.671 3.960 0.003 0.000 0.286 317 G HA3 -0.291 3.671 3.960 0.003 0.000 0.286 317 G C -0.056 174.759 174.900 -0.143 0.000 1.212 317 G CA 0.554 45.626 45.100 -0.048 0.000 0.979 317 G HN 1.197 nan 8.290 nan 0.000 0.557 318 N N 0.682 119.467 118.700 0.142 0.000 2.338 318 N HA 0.152 4.894 4.740 0.003 0.000 0.251 318 N C 0.320 175.889 175.510 0.097 0.000 1.199 318 N CA 0.178 53.303 53.050 0.125 0.000 0.879 318 N CB 0.258 38.981 38.487 0.394 0.000 1.159 318 N HN 0.820 nan 8.380 nan 0.000 0.514 319 Q N 0.645 120.483 119.800 0.063 0.000 2.255 319 Q HA 0.140 4.482 4.340 0.003 0.000 0.280 319 Q C -0.529 175.441 176.000 -0.050 0.000 1.068 319 Q CA 0.732 56.492 55.803 -0.072 0.000 0.911 319 Q CB 0.410 29.152 28.738 0.006 0.000 1.157 319 Q HN 0.210 nan 8.270 nan 0.000 0.380 320 T N 2.881 117.259 114.554 -0.293 0.000 2.861 320 T HA 0.463 4.815 4.350 0.003 0.000 0.287 320 T C -0.849 173.665 174.700 -0.310 0.000 1.003 320 T CA -0.756 61.267 62.100 -0.129 0.000 0.977 320 T CB 1.067 69.861 68.868 -0.123 0.000 0.996 320 T HN 0.420 nan 8.240 nan 0.000 0.448 321 W N 2.090 123.285 121.300 -0.175 0.000 2.689 321 W HA 0.290 4.953 4.660 0.006 0.000 0.340 321 W C -2.192 174.138 176.519 -0.315 0.000 1.060 321 W CA -2.354 54.883 57.345 -0.179 0.000 1.218 321 W CB 1.897 31.333 29.460 -0.039 0.000 1.410 321 W HN 0.481 nan 8.180 nan 0.000 0.528 322 P HA -0.176 nan 4.420 nan 0.000 0.214 322 P C 1.811 178.600 177.300 -0.853 0.000 1.162 322 P CA 1.813 64.507 63.100 -0.677 0.000 0.874 322 P CB 0.245 31.770 31.700 -0.292 0.000 0.784 323 W N 1.294 122.377 121.300 -0.362 0.000 2.301 323 W HA -0.271 4.391 4.660 0.003 0.000 0.325 323 W C 1.273 177.684 176.519 -0.180 0.000 1.250 323 W CA 1.725 58.973 57.345 -0.162 0.000 1.261 323 W CB -0.506 28.962 29.460 0.013 0.000 1.157 323 W HN -0.044 nan 8.180 nan 0.000 0.473 324 D N -0.505 119.897 120.400 0.004 0.000 2.117 324 D HA -0.188 4.454 4.640 0.003 0.000 0.197 324 D C 2.114 178.331 176.300 -0.139 0.000 0.987 324 D CA 2.362 56.336 54.000 -0.042 0.000 0.829 324 D CB -0.815 40.010 40.800 0.041 0.000 0.961 324 D HN 0.023 nan 8.370 nan 0.000 0.460 325 T N -0.299 114.102 114.554 -0.255 0.000 2.720 325 T HA -0.173 4.179 4.350 0.003 0.000 0.268 325 T C 1.605 176.278 174.700 -0.045 0.000 1.037 325 T CA 1.148 63.092 62.100 -0.260 0.000 1.144 325 T CB -0.517 68.063 68.868 -0.480 0.000 0.864 325 T HN 0.382 nan 8.240 nan 0.000 0.444 326 W N 2.375 123.762 121.300 0.145 0.000 2.335 326 W HA -0.162 4.500 4.660 0.004 0.000 0.311 326 W C 2.516 179.193 176.519 0.262 0.000 1.213 326 W CA 0.757 58.256 57.345 0.257 0.000 1.274 326 W CB -0.222 29.462 29.460 0.374 0.000 1.148 326 W HN 0.297 nan 8.180 nan 0.000 0.498 327 K N 0.750 121.345 120.400 0.325 0.000 2.103 327 K HA -0.110 4.212 4.320 0.003 0.000 0.204 327 K C 1.775 178.380 176.600 0.008 0.000 1.052 327 K CA 1.356 57.736 56.287 0.154 0.000 0.945 327 K CB -0.829 31.620 32.500 -0.084 0.000 0.722 327 K HN 0.290 nan 8.250 nan 0.000 0.443 328 Q N 0.999 120.791 119.800 -0.012 0.000 2.050 328 Q HA -0.092 4.250 4.340 0.003 0.000 0.202 328 Q C 2.373 178.328 176.000 -0.075 0.000 0.980 328 Q CA 1.721 57.488 55.803 -0.059 0.000 0.840 328 Q CB -0.314 28.377 28.738 -0.079 0.000 0.898 328 Q HN 0.517 nan 8.270 nan 0.000 0.424 329 A N 0.299 123.108 122.820 -0.017 0.000 1.969 329 A HA -0.167 4.155 4.320 0.003 0.000 0.218 329 A C 1.850 179.376 177.584 -0.097 0.000 1.169 329 A CA 0.846 52.841 52.037 -0.069 0.000 0.635 329 A CB -0.728 18.303 19.000 0.052 0.000 0.810 329 A HN 0.430 nan 8.150 nan 0.000 0.445 330 F N 0.892 120.731 119.950 -0.185 0.000 2.095 330 F HA -0.156 4.372 4.527 0.003 0.000 0.298 330 F C 2.534 178.246 175.800 -0.146 0.000 1.104 330 F CA 1.565 59.392 58.000 -0.288 0.000 1.232 330 F CB -0.243 38.451 39.000 -0.511 0.000 0.987 330 F HN 0.263 nan 8.300 nan 0.000 0.475 331 A N 0.176 123.056 122.820 0.100 0.000 1.854 331 A HA -0.159 4.163 4.320 0.003 0.000 0.214 331 A C 2.222 179.681 177.584 -0.208 0.000 1.192 331 A CA 1.644 53.734 52.037 0.088 0.000 0.611 331 A CB -0.817 18.233 19.000 0.084 0.000 0.832 331 A HN 0.457 nan 8.150 nan 0.000 0.442 332 M N -0.158 119.162 119.600 -0.466 0.000 2.446 332 M HA -0.126 4.356 4.480 0.003 0.000 0.263 332 M C 2.285 178.066 176.300 -0.865 0.000 1.066 332 M CA 0.925 55.582 55.300 -1.071 0.000 1.087 332 M CB -0.375 31.728 32.600 -0.828 0.000 1.406 332 M HN 0.512 nan 8.290 nan 0.000 0.459 333 A N -0.420 122.078 122.820 -0.537 0.000 1.978 333 A HA -0.194 4.128 4.320 0.003 0.000 0.220 333 A C 1.431 178.679 177.584 -0.559 0.000 1.170 333 A CA 1.647 53.355 52.037 -0.548 0.000 0.636 333 A CB -0.969 17.695 19.000 -0.560 0.000 0.810 333 A HN 0.523 nan 8.150 nan 0.000 0.448 334 H N -2.295 116.556 119.070 -0.364 0.000 2.547 334 H HA 0.215 4.773 4.556 0.003 0.000 0.266 334 H C 0.918 176.227 175.328 -0.032 0.000 0.988 334 H CA 1.352 57.321 56.048 -0.131 0.000 1.147 334 H CB 0.020 29.862 29.762 0.134 0.000 1.365 334 H HN 0.807 nan 8.280 nan 0.000 0.589 335 F N -4.228 115.614 119.950 -0.180 0.000 2.801 335 F HA 0.302 4.831 4.527 0.003 0.000 0.381 335 F C -0.035 175.703 175.800 -0.102 0.000 0.861 335 F CA -0.610 57.309 58.000 -0.136 0.000 1.039 335 F CB 0.575 39.448 39.000 -0.212 0.000 1.041 335 F HN -0.158 nan 8.300 nan 0.000 0.596 336 N N 2.821 121.093 118.700 -0.714 0.000 2.703 336 N HA 0.334 5.076 4.740 0.003 0.000 0.283 336 N C -2.075 173.091 175.510 -0.573 0.000 1.851 336 N CA -2.268 50.481 53.050 -0.500 0.000 0.826 336 N CB 0.718 38.786 38.487 -0.698 0.000 1.239 336 N HN 0.013 nan 8.380 nan 0.000 0.495 337 P HA -0.109 nan 4.420 nan 0.000 0.218 337 P C 0.453 177.482 177.300 -0.452 0.000 1.148 337 P CA 1.094 63.911 63.100 -0.472 0.000 0.822 337 P CB 0.600 32.054 31.700 -0.410 0.000 0.784 338 D N -0.080 120.096 120.400 -0.372 0.000 2.123 338 D HA -0.116 4.526 4.640 0.003 0.000 0.196 338 D C 1.968 178.047 176.300 -0.369 0.000 0.992 338 D CA 0.959 54.766 54.000 -0.322 0.000 0.833 338 D CB -0.357 40.302 40.800 -0.235 0.000 0.954 338 D HN 0.161 nan 8.370 nan 0.000 0.455 339 I N 0.815 121.083 120.570 -0.504 0.000 2.716 339 I HA -0.022 4.150 4.170 0.003 0.000 0.259 339 I C 2.382 178.238 176.117 -0.435 0.000 1.172 339 I CA 0.236 61.189 61.300 -0.578 0.000 1.478 339 I CB -1.272 36.120 38.000 -1.013 0.000 1.104 339 I HN -0.149 nan 8.210 nan 0.000 0.439 340 A N 1.210 123.755 122.820 -0.458 0.000 1.902 340 A HA -0.202 4.120 4.320 0.003 0.000 0.217 340 A C 2.374 179.780 177.584 -0.297 0.000 1.181 340 A CA 1.454 53.268 52.037 -0.371 0.000 0.623 340 A CB -0.423 18.315 19.000 -0.437 0.000 0.818 340 A HN 0.312 nan 8.150 nan 0.000 0.443 341 K N -0.517 119.621 120.400 -0.437 0.000 2.026 341 K HA -0.131 4.191 4.320 0.003 0.000 0.208 341 K C 2.014 178.550 176.600 -0.105 0.000 1.048 341 K CA 1.352 57.342 56.287 -0.496 0.000 0.929 341 K CB -0.157 31.901 32.500 -0.736 0.000 0.713 341 K HN 0.420 nan 8.250 nan 0.000 0.439 342 E N 0.925 121.056 120.200 -0.116 0.000 2.077 342 E HA -0.200 4.152 4.350 0.003 0.000 0.193 342 E C 1.826 178.429 176.600 0.005 0.000 0.989 342 E CA 0.970 57.369 56.400 -0.002 0.000 0.800 342 E CB -0.353 29.362 29.700 0.026 0.000 0.746 342 E HN 0.237 nan 8.360 nan 0.000 0.452 343 N N 1.206 119.884 118.700 -0.038 0.000 2.104 343 N HA -0.136 4.606 4.740 0.003 0.000 0.190 343 N C 1.843 177.366 175.510 0.021 0.000 1.024 343 N CA 0.959 53.997 53.050 -0.019 0.000 0.853 343 N CB -0.267 38.178 38.487 -0.071 0.000 1.008 343 N HN 0.160 nan 8.380 nan 0.000 0.424 344 I N 0.123 120.765 120.570 0.120 0.000 2.286 344 I HA -0.171 4.001 4.170 0.003 0.000 0.245 344 I C 2.330 178.602 176.117 0.258 0.000 1.104 344 I CA 0.700 62.187 61.300 0.311 0.000 1.397 344 I CB -0.143 38.198 38.000 0.567 0.000 1.072 344 I HN 0.131 nan 8.210 nan 0.000 0.417 345 R N 0.750 121.294 120.500 0.074 0.000 2.096 345 R HA -0.135 4.207 4.340 0.003 0.000 0.235 345 R C 2.448 178.519 176.300 -0.381 0.000 1.127 345 R CA 1.390 57.327 56.100 -0.273 0.000 0.968 345 R CB -0.471 29.380 30.300 -0.748 0.000 0.861 345 R HN 0.356 nan 8.270 nan 0.000 0.440 346 A N 0.817 123.526 122.820 -0.184 0.000 1.883 346 A HA -0.147 4.175 4.320 0.003 0.000 0.217 346 A C 2.375 179.979 177.584 0.034 0.000 1.186 346 A CA 1.612 53.681 52.037 0.053 0.000 0.624 346 A CB -0.664 18.413 19.000 0.128 0.000 0.822 346 A HN 0.119 nan 8.150 nan 0.000 0.444 347 V N -1.489 118.372 119.914 -0.087 0.000 2.287 347 V HA -0.238 3.884 4.120 0.003 0.000 0.248 347 V C 2.222 178.156 176.094 -0.265 0.000 1.053 347 V CA 2.065 64.209 62.300 -0.260 0.000 1.027 347 V CB -0.917 30.616 31.823 -0.482 0.000 0.646 347 V HN 0.559 nan 8.190 nan 0.000 0.447 348 F N 0.949 120.861 119.950 -0.063 0.000 2.748 348 F HA -0.034 4.495 4.527 0.003 0.000 0.299 348 F C 2.524 178.274 175.800 -0.084 0.000 1.154 348 F CA 0.921 58.867 58.000 -0.090 0.000 1.446 348 F CB -0.630 38.313 39.000 -0.095 0.000 1.112 348 F HN 0.242 nan 8.300 nan 0.000 0.584 349 S N -2.013 113.742 115.700 0.092 0.000 2.507 349 S HA -0.195 4.277 4.470 0.003 0.000 0.235 349 S C 1.003 175.491 174.600 -0.187 0.000 0.988 349 S CA 0.497 58.721 58.200 0.039 0.000 0.944 349 S CB -0.641 62.719 63.200 0.267 0.000 0.762 349 S HN 0.509 nan 8.310 nan 0.000 0.526 350 W N 1.755 123.102 121.300 0.077 0.000 2.599 350 W HA 0.455 5.116 4.660 0.002 0.000 0.396 350 W C 0.365 176.900 176.519 0.026 0.000 0.944 350 W CA -0.937 56.472 57.345 0.106 0.000 2.042 350 W CB 0.131 29.712 29.460 0.200 0.000 1.184 350 W HN 0.252 nan 8.180 nan 0.000 0.604 351 Q N 1.240 121.097 119.800 0.095 0.000 2.337 351 Q HA 0.153 4.495 4.340 0.003 0.000 0.270 351 Q C 0.077 176.125 176.000 0.080 0.000 1.002 351 Q CA -0.114 55.705 55.803 0.026 0.000 0.888 351 Q CB 0.681 29.475 28.738 0.094 0.000 1.222 351 Q HN -0.011 nan 8.270 nan 0.000 0.400 352 I N 4.250 124.880 120.570 0.099 0.000 2.618 352 I HA -0.068 4.104 4.170 0.003 0.000 0.284 352 I C 0.259 176.436 176.117 0.101 0.000 1.146 352 I CA 0.691 62.074 61.300 0.139 0.000 1.425 352 I CB 0.627 38.737 38.000 0.183 0.000 1.383 352 I HN 0.552 nan 8.210 nan 0.000 0.562 353 Q N 7.026 126.875 119.800 0.082 0.000 2.297 353 Q HA 0.508 4.850 4.340 0.003 0.000 0.268 353 Q C -2.316 173.721 176.000 0.063 0.000 1.045 353 Q CA -2.216 53.622 55.803 0.059 0.000 0.861 353 Q CB 0.868 29.623 28.738 0.027 0.000 1.344 353 Q HN 0.283 nan 8.270 nan 0.000 0.452 354 P HA 0.002 nan 4.420 nan 0.000 0.263 354 P C 0.496 177.822 177.300 0.042 0.000 1.175 354 P CA 1.253 64.383 63.100 0.052 0.000 0.761 354 P CB 0.235 31.960 31.700 0.042 0.000 0.794 355 G N 1.833 110.660 108.800 0.043 0.000 2.143 355 G HA2 -0.264 3.698 3.960 0.003 0.000 0.249 355 G HA3 -0.264 3.698 3.960 0.003 0.000 0.249 355 G C 0.145 175.070 174.900 0.041 0.000 0.981 355 G CA 0.077 45.199 45.100 0.036 0.000 0.665 355 G HN 0.676 nan 8.290 nan 0.000 0.528 356 D N 0.388 120.821 120.400 0.055 0.000 2.506 356 D HA 0.367 5.009 4.640 0.003 0.000 0.234 356 D C 1.929 178.264 176.300 0.057 0.000 1.143 356 D CA 1.072 55.112 54.000 0.067 0.000 0.871 356 D CB 0.644 41.501 40.800 0.094 0.000 1.190 356 D HN 0.426 nan 8.370 nan 0.000 0.459 357 S N 1.650 117.383 115.700 0.056 0.000 2.428 357 S HA -0.108 4.364 4.470 0.003 0.000 0.230 357 S C 1.589 176.215 174.600 0.043 0.000 1.014 357 S CA 0.841 59.067 58.200 0.043 0.000 0.957 357 S CB -0.024 63.198 63.200 0.036 0.000 0.784 357 S HN 0.363 nan 8.310 nan 0.000 0.499 358 V N 1.914 121.863 119.914 0.058 0.000 2.581 358 V HA 0.210 4.332 4.120 0.003 0.000 0.240 358 V C 1.319 177.442 176.094 0.049 0.000 1.054 358 V CA 1.044 63.375 62.300 0.053 0.000 1.076 358 V CB -0.506 31.358 31.823 0.068 0.000 0.748 358 V HN 0.678 nan 8.190 nan 0.000 0.474 359 R N 0.821 121.358 120.500 0.061 0.000 2.644 359 R HA 0.306 4.648 4.340 0.003 0.000 0.271 359 R C -2.459 173.877 176.300 0.060 0.000 1.687 359 R CA -1.304 54.822 56.100 0.044 0.000 1.655 359 R CB 0.522 30.831 30.300 0.015 0.000 1.285 359 R HN 0.204 nan 8.270 nan 0.000 0.643 360 P HA -0.226 nan 4.420 nan 0.000 0.225 360 P C 0.701 178.041 177.300 0.068 0.000 1.148 360 P CA 1.091 64.227 63.100 0.060 0.000 0.779 360 P CB 0.402 32.129 31.700 0.045 0.000 0.780 361 Q N -0.622 119.213 119.800 0.058 0.000 2.444 361 Q HA -0.007 4.335 4.340 0.003 0.000 0.206 361 Q C 0.073 176.146 176.000 0.122 0.000 0.948 361 Q CA 0.878 56.718 55.803 0.062 0.000 0.946 361 Q CB -0.511 28.242 28.738 0.024 0.000 1.027 361 Q HN 0.192 nan 8.270 nan 0.000 0.513 362 D N 1.162 121.653 120.400 0.150 0.000 2.772 362 D HA 0.182 4.824 4.640 0.003 0.000 0.272 362 D C -0.542 175.924 176.300 0.277 0.000 1.314 362 D CA -0.278 53.884 54.000 0.271 0.000 0.835 362 D CB 0.991 41.809 40.800 0.031 0.000 1.080 362 D HN -0.031 nan 8.370 nan 0.000 0.482 363 V N 0.416 120.485 119.914 0.258 0.000 2.557 363 V HA 0.251 4.373 4.120 0.003 0.000 0.301 363 V C 1.707 177.968 176.094 0.279 0.000 1.026 363 V CA 1.444 63.872 62.300 0.213 0.000 1.137 363 V CB 0.822 32.743 31.823 0.164 0.000 0.917 363 V HN 0.614 nan 8.190 nan 0.000 0.484 364 G N 4.633 113.545 108.800 0.186 0.000 2.234 364 G HA2 -0.269 3.693 3.960 0.003 0.000 0.235 364 G HA3 -0.269 3.693 3.960 0.003 0.000 0.235 364 G C 0.086 175.012 174.900 0.043 0.000 0.997 364 G CA 0.095 45.324 45.100 0.214 0.000 0.623 364 G HN 0.826 nan 8.290 nan 0.000 0.514 365 F N 2.206 121.863 119.950 -0.488 0.000 2.572 365 F HA 0.510 5.038 4.527 0.002 0.000 0.370 365 F C 0.416 175.886 175.800 -0.550 0.000 1.103 365 F CA -0.227 57.175 58.000 -0.997 0.000 1.286 365 F CB 1.054 39.432 39.000 -1.036 0.000 1.105 365 F HN 0.067 nan 8.300 nan 0.000 0.583 366 V N 8.340 127.401 119.914 -1.422 0.000 2.357 366 V HA 0.293 4.415 4.120 0.003 0.000 0.284 366 V C -2.100 173.139 176.094 -1.425 0.000 1.018 366 V CA -2.027 59.561 62.300 -1.187 0.000 0.841 366 V CB 1.188 32.291 31.823 -1.201 0.000 0.991 366 V HN 0.683 nan 8.190 nan 0.000 0.437 367 P HA -0.018 nan 4.420 nan 0.000 0.265 367 P C 0.519 177.496 177.300 -0.539 0.000 1.187 367 P CA 0.316 63.017 63.100 -0.665 0.000 0.766 367 P CB 0.687 32.137 31.700 -0.417 0.000 0.820 368 D N 2.998 123.214 120.400 -0.307 0.000 2.178 368 D HA -0.056 4.586 4.640 0.003 0.000 0.202 368 D C 0.051 176.092 176.300 -0.431 0.000 0.974 368 D CA 1.178 55.073 54.000 -0.175 0.000 0.841 368 D CB 0.068 40.913 40.800 0.075 0.000 0.953 368 D HN 0.182 nan 8.370 nan 0.000 0.478 369 L N 0.836 121.672 121.223 -0.645 0.000 2.562 369 L HA 0.347 4.689 4.340 0.003 0.000 0.266 369 L C -1.299 174.884 176.870 -1.144 0.000 0.949 369 L CA -0.825 53.420 54.840 -0.991 0.000 0.879 369 L CB 1.445 42.908 42.059 -0.994 0.000 1.278 369 L HN 0.017 nan 8.230 nan 0.000 0.404 370 I N 2.104 122.004 120.570 -1.117 0.000 2.693 370 I HA 1.038 5.210 4.170 0.003 0.000 0.303 370 I C -0.488 175.246 176.117 -0.638 0.000 1.025 370 I CA -0.396 60.054 61.300 -1.417 0.000 1.086 370 I CB 2.035 39.330 38.000 -1.175 0.000 1.268 370 I HN 0.652 nan 8.210 nan 0.000 0.440 371 A N 3.783 126.467 122.820 -0.227 0.000 2.536 371 A HA 0.263 4.585 4.320 0.003 0.000 0.293 371 A C -0.159 177.595 177.584 0.283 0.000 1.119 371 A CA -0.668 51.415 52.037 0.075 0.000 0.654 371 A CB 0.232 19.261 19.000 0.049 0.000 1.291 371 A HN 1.025 nan 8.150 nan 0.000 0.439 372 W N 1.257 122.629 121.300 0.119 0.000 2.290 372 W HA -0.134 4.526 4.660 -0.001 0.000 0.318 372 W C -0.318 176.220 176.519 0.031 0.000 1.248 372 W CA 2.277 59.671 57.345 0.081 0.000 1.263 372 W CB -0.170 29.317 29.460 0.044 0.000 1.147 372 W HN 0.623 nan 8.180 nan 0.000 0.494 373 N N 1.212 120.126 118.700 0.358 0.000 2.419 373 N HA 0.226 4.968 4.740 0.003 0.000 0.277 373 N C -0.406 175.099 175.510 -0.009 0.000 1.006 373 N CA -0.258 52.891 53.050 0.165 0.000 0.923 373 N CB 1.575 40.153 38.487 0.152 0.000 1.140 373 N HN -0.107 nan 8.380 nan 0.000 0.488 374 L N 1.106 122.139 121.223 -0.317 0.000 2.464 374 L HA 0.103 4.445 4.340 0.003 0.000 0.264 374 L C 1.416 177.997 176.870 -0.482 0.000 1.199 374 L CA -0.293 54.058 54.840 -0.815 0.000 0.818 374 L CB 0.352 41.881 42.059 -0.883 0.000 1.102 374 L HN 0.570 nan 8.230 nan 0.000 0.473 375 S N 0.979 116.312 115.700 -0.613 0.000 2.589 375 S HA 0.144 4.616 4.470 0.003 0.000 0.265 375 S C -1.941 172.536 174.600 -0.204 0.000 1.342 375 S CA -1.005 57.054 58.200 -0.234 0.000 1.005 375 S CB 0.634 63.753 63.200 -0.134 0.000 0.909 375 S HN 0.415 nan 8.310 nan 0.000 0.555 376 P HA -0.037 nan 4.420 nan 0.000 0.218 376 P C 0.918 178.170 177.300 -0.081 0.000 1.149 376 P CA 1.025 64.077 63.100 -0.080 0.000 0.817 376 P CB -0.040 31.637 31.700 -0.039 0.000 0.785 377 E N -0.764 119.392 120.200 -0.073 0.000 2.265 377 E HA -0.123 4.229 4.350 0.003 0.000 0.196 377 E C 1.312 177.863 176.600 -0.082 0.000 0.996 377 E CA 0.937 57.305 56.400 -0.053 0.000 0.832 377 E CB -0.479 29.208 29.700 -0.023 0.000 0.756 377 E HN 0.260 nan 8.360 nan 0.000 0.491 378 R N -1.167 119.235 120.500 -0.163 0.000 2.577 378 R HA 0.276 4.618 4.340 0.003 0.000 0.344 378 R C 0.513 176.710 176.300 -0.172 0.000 1.037 378 R CA 0.449 56.438 56.100 -0.184 0.000 1.102 378 R CB 0.885 30.979 30.300 -0.343 0.000 1.313 378 R HN 0.228 nan 8.270 nan 0.000 0.561 379 G N -0.056 108.665 108.800 -0.132 0.000 2.175 379 G HA2 -0.235 3.727 3.960 0.003 0.000 0.244 379 G HA3 -0.235 3.727 3.960 0.003 0.000 0.244 379 G C 0.319 175.153 174.900 -0.110 0.000 0.982 379 G CA -0.177 44.863 45.100 -0.100 0.000 0.641 379 G HN 0.540 nan 8.290 nan 0.000 0.527 380 G N -0.326 108.380 108.800 -0.157 0.000 2.753 380 G HA2 0.596 4.558 3.960 0.003 0.000 0.285 380 G HA3 0.596 4.558 3.960 0.003 0.000 0.285 380 G C 0.151 174.994 174.900 -0.095 0.000 1.344 380 G CA 0.541 45.564 45.100 -0.128 0.000 1.050 380 G HN 0.570 nan 8.290 nan 0.000 0.532 381 D N -1.449 118.909 120.400 -0.069 0.000 2.571 381 D HA 0.226 4.868 4.640 0.003 0.000 0.239 381 D C 0.876 177.129 176.300 -0.078 0.000 1.267 381 D CA -0.311 53.649 54.000 -0.066 0.000 0.823 381 D CB 0.119 40.886 40.800 -0.054 0.000 1.056 381 D HN 0.550 nan 8.370 nan 0.000 0.494 382 G N -0.419 108.345 108.800 -0.059 0.000 2.403 382 G HA2 0.437 4.399 3.960 0.003 0.000 0.259 382 G HA3 0.437 4.399 3.960 0.003 0.000 0.259 382 G C 0.913 175.789 174.900 -0.040 0.000 1.244 382 G CA -0.418 44.664 45.100 -0.029 0.000 0.849 382 G HN 0.190 nan 8.290 nan 0.000 0.532 383 G N 0.940 109.656 108.800 -0.141 0.000 2.986 383 G HA2 -0.049 3.913 3.960 0.003 0.000 0.213 383 G HA3 -0.049 3.913 3.960 0.003 0.000 0.213 383 G C 1.157 176.193 174.900 0.227 0.000 1.156 383 G CA 0.031 45.045 45.100 -0.142 0.000 0.763 383 G HN 0.626 nan 8.290 nan 0.000 0.547 384 N N -0.876 117.959 118.700 0.226 0.000 2.305 384 N HA 0.022 4.764 4.740 0.003 0.000 0.179 384 N C 0.572 176.155 175.510 0.123 0.000 1.019 384 N CA -0.517 52.683 53.050 0.250 0.000 0.869 384 N CB 0.089 38.697 38.487 0.201 0.000 1.000 384 N HN 0.261 nan 8.380 nan 0.000 0.431 385 W N 3.681 124.942 121.300 -0.064 0.000 2.549 385 W HA -0.062 4.604 4.660 0.011 0.000 0.343 385 W C -0.350 176.133 176.519 -0.059 0.000 1.278 385 W CA 0.876 58.143 57.345 -0.129 0.000 1.277 385 W CB -0.388 28.977 29.460 -0.159 0.000 1.249 385 W HN 0.137 nan 8.180 nan 0.000 0.572 386 N N 4.366 122.972 118.700 -0.157 0.000 2.296 386 N HA 0.151 4.893 4.740 0.003 0.000 0.294 386 N C -0.482 175.075 175.510 0.078 0.000 1.033 386 N CA -0.248 52.830 53.050 0.046 0.000 0.839 386 N CB 1.226 39.739 38.487 0.043 0.000 1.395 386 N HN 0.479 nan 8.380 nan 0.000 0.479 387 E N 2.069 122.416 120.200 0.245 0.000 2.876 387 E HA 0.146 4.498 4.350 0.003 0.000 0.208 387 E C 0.514 177.280 176.600 0.276 0.000 0.981 387 E CA -0.055 56.564 56.400 0.365 0.000 1.174 387 E CB 0.713 30.649 29.700 0.394 0.000 1.047 387 E HN 0.511 nan 8.360 nan 0.000 0.477 388 R N 1.446 122.107 120.500 0.269 0.000 2.276 388 R HA 0.043 4.385 4.340 0.003 0.000 0.203 388 R C 0.695 177.245 176.300 0.417 0.000 1.017 388 R CA 0.747 56.992 56.100 0.241 0.000 1.010 388 R CB -0.046 30.414 30.300 0.267 0.000 0.900 388 R HN 0.243 nan 8.270 nan 0.000 0.469 389 N N -2.205 116.782 118.700 0.479 0.000 3.356 389 N HA 0.030 4.772 4.740 0.003 0.000 0.246 389 N C -0.932 174.920 175.510 0.569 0.000 1.480 389 N CA -0.551 52.817 53.050 0.530 0.000 0.877 389 N CB 1.419 40.180 38.487 0.456 0.000 1.431 389 N HN -0.196 nan 8.380 nan 0.000 0.500 390 T N -1.033 113.810 114.554 0.483 0.000 2.602 390 T HA 0.560 4.912 4.350 0.003 0.000 0.235 390 T C -1.239 173.651 174.700 0.318 0.000 0.882 390 T CA -0.150 62.094 62.100 0.239 0.000 1.123 390 T CB 0.773 69.691 68.868 0.083 0.000 1.662 390 T HN 0.454 nan 8.240 nan 0.000 0.536 391 K N 0.678 121.312 120.400 0.390 0.000 2.495 391 K HA 0.520 4.842 4.320 0.003 0.000 0.268 391 K C -2.879 173.953 176.600 0.387 0.000 1.008 391 K CA -2.100 54.350 56.287 0.271 0.000 0.882 391 K CB 1.331 33.965 32.500 0.223 0.000 1.443 391 K HN 0.308 nan 8.250 nan 0.000 0.447 392 P HA 0.011 nan 4.420 nan 0.000 0.267 392 P C -0.593 176.795 177.300 0.146 0.000 1.200 392 P CA 0.163 63.194 63.100 -0.115 0.000 0.772 392 P CB 0.501 31.697 31.700 -0.840 0.000 0.855 393 S N 2.649 118.366 115.700 0.029 0.000 2.410 393 S HA 0.365 4.837 4.470 0.003 0.000 0.304 393 S C 0.191 174.733 174.600 -0.097 0.000 1.095 393 S CA -0.510 57.765 58.200 0.125 0.000 1.089 393 S CB -0.739 62.479 63.200 0.030 0.000 0.968 393 S HN 0.349 nan 8.310 nan 0.000 0.480 394 L N 4.478 125.580 121.223 -0.202 0.000 3.289 394 L HA 0.341 4.683 4.340 0.003 0.000 0.291 394 L C 1.779 178.419 176.870 -0.383 0.000 1.279 394 L CA -0.136 54.642 54.840 -0.102 0.000 1.025 394 L CB -0.064 42.058 42.059 0.105 0.000 1.413 394 L HN 0.787 nan 8.230 nan 0.000 0.593 395 A N 0.609 122.840 122.820 -0.981 0.000 1.883 395 A HA -0.194 4.128 4.320 0.003 0.000 0.217 395 A C 2.454 179.850 177.584 -0.314 0.000 1.186 395 A CA 2.047 53.354 52.037 -1.216 0.000 0.624 395 A CB -0.293 18.234 19.000 -0.789 0.000 0.822 395 A HN 0.433 nan 8.150 nan 0.000 0.444 396 A N -1.590 121.163 122.820 -0.111 0.000 1.902 396 A HA -0.164 4.158 4.320 0.003 0.000 0.217 396 A C 2.005 179.519 177.584 -0.116 0.000 1.181 396 A CA 1.640 53.656 52.037 -0.034 0.000 0.623 396 A CB -0.988 18.058 19.000 0.077 0.000 0.818 396 A HN 0.919 nan 8.150 nan 0.000 0.443 397 W N 0.710 121.802 121.300 -0.345 0.000 2.338 397 W HA -0.183 4.479 4.660 0.003 0.000 0.304 397 W C 2.562 179.026 176.519 -0.092 0.000 1.212 397 W CA 2.014 59.037 57.345 -0.538 0.000 1.264 397 W CB -0.405 28.998 29.460 -0.096 0.000 1.142 397 W HN 0.261 nan 8.180 nan 0.000 0.512 398 S N -0.394 115.400 115.700 0.156 0.000 2.355 398 S HA -0.176 4.296 4.470 0.003 0.000 0.222 398 S C 1.844 176.497 174.600 0.088 0.000 1.031 398 S CA 1.716 59.983 58.200 0.112 0.000 0.993 398 S CB -0.808 62.662 63.200 0.449 0.000 0.859 398 S HN 0.089 nan 8.310 nan 0.000 0.453 399 V N 1.940 121.942 119.914 0.148 0.000 2.332 399 V HA -0.181 3.941 4.120 0.003 0.000 0.248 399 V C 2.486 178.738 176.094 0.265 0.000 1.055 399 V CA 2.155 64.630 62.300 0.292 0.000 1.038 399 V CB -0.643 31.199 31.823 0.031 0.000 0.651 399 V HN 0.532 nan 8.190 nan 0.000 0.450 400 M N 0.405 120.017 119.600 0.021 0.000 2.159 400 M HA -0.152 4.330 4.480 0.003 0.000 0.263 400 M C 1.918 178.220 176.300 0.004 0.000 1.063 400 M CA 1.937 57.251 55.300 0.024 0.000 1.110 400 M CB -0.585 31.927 32.600 -0.148 0.000 1.374 400 M HN 0.303 nan 8.290 nan 0.000 0.411 401 E N -0.685 119.390 120.200 -0.208 0.000 2.110 401 E HA -0.113 4.239 4.350 0.003 0.000 0.193 401 E C 1.834 178.220 176.600 -0.357 0.000 0.988 401 E CA 1.451 57.596 56.400 -0.425 0.000 0.804 401 E CB -0.401 28.705 29.700 -0.991 0.000 0.745 401 E HN 0.385 nan 8.360 nan 0.000 0.458 402 V N 0.319 120.096 119.914 -0.229 0.000 2.407 402 V HA -0.243 3.879 4.120 0.003 0.000 0.248 402 V C 2.052 178.004 176.094 -0.237 0.000 1.055 402 V CA 2.002 64.101 62.300 -0.336 0.000 1.049 402 V CB -0.673 30.866 31.823 -0.474 0.000 0.662 402 V HN 0.412 nan 8.190 nan 0.000 0.455 403 Y N 1.815 122.083 120.300 -0.054 0.000 2.200 403 Y HA -0.173 4.379 4.550 0.003 0.000 0.290 403 Y C 2.430 178.284 175.900 -0.077 0.000 1.137 403 Y CA 1.702 59.816 58.100 0.022 0.000 1.163 403 Y CB -0.350 38.191 38.460 0.134 0.000 0.988 403 Y HN 0.297 nan 8.280 nan 0.000 0.518 404 N N -0.154 118.448 118.700 -0.164 0.000 2.205 404 N HA -0.163 4.579 4.740 0.003 0.000 0.186 404 N C 1.825 177.140 175.510 -0.324 0.000 1.015 404 N CA 1.684 54.596 53.050 -0.229 0.000 0.862 404 N CB -0.405 38.014 38.487 -0.115 0.000 0.986 404 N HN 0.346 nan 8.380 nan 0.000 0.429 405 V N 0.264 119.947 119.914 -0.384 0.000 2.426 405 V HA -0.074 4.048 4.120 0.003 0.000 0.242 405 V C 2.393 178.282 176.094 -0.342 0.000 1.036 405 V CA 1.924 63.988 62.300 -0.394 0.000 1.044 405 V CB -0.660 30.838 31.823 -0.542 0.000 0.688 405 V HN 0.468 nan 8.190 nan 0.000 0.462 406 T N -2.700 111.637 114.554 -0.362 0.000 3.043 406 T HA -0.076 4.276 4.350 0.003 0.000 0.263 406 T C 1.113 175.634 174.700 -0.299 0.000 1.094 406 T CA 0.739 62.660 62.100 -0.299 0.000 1.127 406 T CB -0.175 68.521 68.868 -0.287 0.000 0.905 406 T HN 0.512 nan 8.240 nan 0.000 0.490 407 Q N 0.650 120.146 119.800 -0.508 0.000 2.468 407 Q HA -0.175 4.167 4.340 0.003 0.000 0.256 407 Q C -0.711 175.165 176.000 -0.208 0.000 0.984 407 Q CA 0.832 56.262 55.803 -0.622 0.000 1.110 407 Q CB -1.668 26.864 28.738 -0.342 0.000 1.527 407 Q HN 0.623 nan 8.270 nan 0.000 0.535 408 D N 0.493 120.873 120.400 -0.033 0.000 2.393 408 D HA 0.113 4.755 4.640 0.003 0.000 0.232 408 D C 0.715 177.243 176.300 0.379 0.000 1.192 408 D CA 0.041 54.135 54.000 0.155 0.000 0.882 408 D CB 0.701 41.559 40.800 0.096 0.000 1.038 408 D HN 0.115 nan 8.370 nan 0.000 0.499 409 K N 1.193 121.778 120.400 0.307 0.000 2.280 409 K HA -0.105 4.217 4.320 0.003 0.000 0.202 409 K C 1.826 178.481 176.600 0.092 0.000 1.047 409 K CA 1.346 57.749 56.287 0.194 0.000 0.942 409 K CB 0.055 32.616 32.500 0.102 0.000 0.739 409 K HN 0.520 nan 8.250 nan 0.000 0.457 410 T N -1.432 113.193 114.554 0.118 0.000 2.951 410 T HA -0.165 4.187 4.350 0.003 0.000 0.268 410 T C 1.569 176.340 174.700 0.118 0.000 1.073 410 T CA 0.217 62.366 62.100 0.082 0.000 1.134 410 T CB -0.354 68.563 68.868 0.082 0.000 0.884 410 T HN 0.494 nan 8.240 nan 0.000 0.479 411 W N 1.870 123.174 121.300 0.006 0.000 2.379 411 W HA -0.122 4.539 4.660 0.003 0.000 0.307 411 W C 1.586 178.088 176.519 -0.029 0.000 1.200 411 W CA 0.646 57.988 57.345 -0.005 0.000 1.297 411 W CB -0.262 29.209 29.460 0.019 0.000 1.140 411 W HN 0.143 nan 8.180 nan 0.000 0.507 412 V N 2.157 121.969 119.914 -0.170 0.000 2.343 412 V HA -0.285 3.837 4.120 0.003 0.000 0.247 412 V C 2.806 178.724 176.094 -0.293 0.000 1.051 412 V CA 2.333 64.416 62.300 -0.362 0.000 1.036 412 V CB -1.664 29.948 31.823 -0.351 0.000 0.654 412 V HN 0.298 nan 8.190 nan 0.000 0.451 413 A N -0.516 122.190 122.820 -0.190 0.000 1.933 413 A HA -0.277 4.045 4.320 0.003 0.000 0.218 413 A C 2.308 179.809 177.584 -0.138 0.000 1.175 413 A CA 2.006 53.960 52.037 -0.139 0.000 0.628 413 A CB -0.499 18.445 19.000 -0.093 0.000 0.814 413 A HN 0.624 nan 8.150 nan 0.000 0.444 414 E N -1.022 119.067 120.200 -0.186 0.000 2.077 414 E HA -0.178 4.174 4.350 0.003 0.000 0.193 414 E C 1.812 178.210 176.600 -0.337 0.000 0.989 414 E CA 1.417 57.692 56.400 -0.208 0.000 0.800 414 E CB -0.117 29.485 29.700 -0.163 0.000 0.746 414 E HN 0.494 nan 8.360 nan 0.000 0.452 415 M N -0.504 118.772 119.600 -0.541 0.000 2.435 415 M HA -0.049 4.433 4.480 0.003 0.000 0.265 415 M C 1.951 177.989 176.300 -0.437 0.000 1.104 415 M CA 0.620 55.543 55.300 -0.628 0.000 1.140 415 M CB -0.986 31.053 32.600 -0.935 0.000 1.372 415 M HN 0.174 nan 8.290 nan 0.000 0.456 416 Y N 3.445 123.500 120.300 -0.408 0.000 2.030 416 Y HA -0.219 4.333 4.550 0.004 0.000 0.272 416 Y C -0.628 175.135 175.900 -0.228 0.000 1.185 416 Y CA 2.689 60.613 58.100 -0.293 0.000 1.120 416 Y CB -1.859 36.463 38.460 -0.230 0.000 0.955 416 Y HN 0.158 nan 8.280 nan 0.000 0.495 417 P HA -0.169 nan 4.420 nan 0.000 0.220 417 P C 0.826 177.974 177.300 -0.253 0.000 1.148 417 P CA 2.064 65.025 63.100 -0.232 0.000 0.803 417 P CB -0.063 31.582 31.700 -0.092 0.000 0.782 418 K N -0.355 119.839 120.400 -0.345 0.000 2.116 418 K HA 0.026 4.348 4.320 0.003 0.000 0.203 418 K C 2.379 178.772 176.600 -0.345 0.000 1.052 418 K CA 0.852 56.892 56.287 -0.411 0.000 0.952 418 K CB -0.499 31.525 32.500 -0.793 0.000 0.729 418 K HN 0.154 nan 8.250 nan 0.000 0.446 419 L N 0.766 121.740 121.223 -0.415 0.000 2.083 419 L HA -0.174 4.168 4.340 0.003 0.000 0.209 419 L C 2.340 179.183 176.870 -0.045 0.000 1.083 419 L CA 0.813 55.554 54.840 -0.164 0.000 0.752 419 L CB -0.480 41.429 42.059 -0.250 0.000 0.899 419 L HN -0.033 nan 8.230 nan 0.000 0.433 420 V N 0.134 119.901 119.914 -0.245 0.000 2.343 420 V HA -0.295 3.827 4.120 0.003 0.000 0.247 420 V C 2.764 178.928 176.094 0.117 0.000 1.051 420 V CA 1.849 64.059 62.300 -0.150 0.000 1.036 420 V CB -0.880 30.753 31.823 -0.316 0.000 0.654 420 V HN 0.486 nan 8.190 nan 0.000 0.451 421 A N -1.118 121.762 122.820 0.099 0.000 1.933 421 A HA -0.259 4.063 4.320 0.003 0.000 0.218 421 A C 2.198 180.009 177.584 0.380 0.000 1.175 421 A CA 1.973 54.130 52.037 0.200 0.000 0.628 421 A CB -0.695 18.384 19.000 0.131 0.000 0.814 421 A HN 0.597 nan 8.150 nan 0.000 0.444 422 Y N 0.054 120.511 120.300 0.262 0.000 2.220 422 Y HA -0.184 4.368 4.550 0.004 0.000 0.291 422 Y C 2.433 178.658 175.900 0.542 0.000 1.129 422 Y CA 1.635 59.958 58.100 0.371 0.000 1.161 422 Y CB -0.873 37.849 38.460 0.437 0.000 0.997 422 Y HN 0.643 nan 8.280 nan 0.000 0.522 423 H N -0.011 119.313 119.070 0.424 0.000 2.319 423 H HA -0.151 4.407 4.556 0.003 0.000 0.299 423 H C 1.287 176.812 175.328 0.328 0.000 1.092 423 H CA 2.103 58.353 56.048 0.336 0.000 1.302 423 H CB -0.218 29.642 29.762 0.163 0.000 1.373 423 H HN 0.302 nan 8.280 nan 0.000 0.497 424 D N -0.085 120.559 120.400 0.408 0.000 2.144 424 D HA -0.148 4.494 4.640 0.003 0.000 0.199 424 D C 2.048 178.459 176.300 0.186 0.000 0.984 424 D CA 0.880 55.037 54.000 0.261 0.000 0.834 424 D CB -0.874 40.083 40.800 0.261 0.000 0.955 424 D HN 0.523 nan 8.370 nan 0.000 0.465 425 W N 0.582 121.943 121.300 0.102 0.000 2.358 425 W HA -0.189 4.473 4.660 0.004 0.000 0.303 425 W C 1.779 178.270 176.519 -0.046 0.000 1.208 425 W CA 1.244 58.604 57.345 0.025 0.000 1.274 425 W CB -0.714 28.779 29.460 0.054 0.000 1.138 425 W HN -0.015 nan 8.180 nan 0.000 0.515 426 W N 0.335 121.572 121.300 -0.106 0.000 2.338 426 W HA -0.184 4.479 4.660 0.005 0.000 0.304 426 W C 2.343 178.612 176.519 -0.417 0.000 1.212 426 W CA 1.524 58.634 57.345 -0.391 0.000 1.264 426 W CB -1.024 28.306 29.460 -0.217 0.000 1.142 426 W HN -0.184 nan 8.180 nan 0.000 0.512 427 L N -0.227 120.944 121.223 -0.087 0.000 2.201 427 L HA -0.128 4.214 4.340 0.003 0.000 0.212 427 L C 2.472 179.245 176.870 -0.161 0.000 1.105 427 L CA 1.197 55.959 54.840 -0.129 0.000 0.775 427 L CB -0.636 41.353 42.059 -0.116 0.000 0.913 427 L HN 0.012 nan 8.230 nan 0.000 0.440 428 R N -0.318 120.058 120.500 -0.208 0.000 2.090 428 R HA 0.017 4.359 4.340 0.003 0.000 0.219 428 R C 1.369 177.492 176.300 -0.295 0.000 1.100 428 R CA 0.952 56.930 56.100 -0.204 0.000 0.991 428 R CB -0.052 30.163 30.300 -0.143 0.000 0.893 428 R HN 0.319 nan 8.270 nan 0.000 0.443 429 N N -0.252 118.125 118.700 -0.538 0.000 2.254 429 N HA 0.060 4.802 4.740 0.003 0.000 0.190 429 N C 0.142 175.353 175.510 -0.499 0.000 1.107 429 N CA 0.299 53.002 53.050 -0.578 0.000 0.869 429 N CB 0.738 38.715 38.487 -0.850 0.000 0.983 429 N HN -0.112 nan 8.380 nan 0.000 0.487 430 R N 0.517 120.759 120.500 -0.430 0.000 2.734 430 R HA 0.229 4.571 4.340 0.003 0.000 0.395 430 R C -0.936 175.303 176.300 -0.101 0.000 1.096 430 R CA -0.066 55.916 56.100 -0.198 0.000 1.071 430 R CB 0.072 30.344 30.300 -0.048 0.000 1.348 430 R HN 0.001 nan 8.270 nan 0.000 0.600 431 D N -0.680 119.650 120.400 -0.116 0.000 2.714 431 D HA 0.048 4.690 4.640 0.003 0.000 0.264 431 D C 0.866 177.125 176.300 -0.068 0.000 1.231 431 D CA -0.286 53.659 54.000 -0.091 0.000 0.802 431 D CB 0.103 40.831 40.800 -0.120 0.000 1.319 431 D HN 0.142 nan 8.370 nan 0.000 0.528 432 H N 2.254 121.252 119.070 -0.120 0.000 2.319 432 H HA -0.158 4.400 4.556 0.003 0.000 0.297 432 H C 1.273 176.550 175.328 -0.085 0.000 1.097 432 H CA 2.647 58.629 56.048 -0.110 0.000 1.285 432 H CB 0.405 30.103 29.762 -0.106 0.000 1.368 432 H HN 0.303 nan 8.280 nan 0.000 0.495 433 N N -0.217 118.408 118.700 -0.126 0.000 2.268 433 N HA 0.071 4.813 4.740 0.003 0.000 0.204 433 N C 0.962 176.394 175.510 -0.129 0.000 1.124 433 N CA 0.666 53.622 53.050 -0.157 0.000 0.838 433 N CB -0.476 37.986 38.487 -0.041 0.000 0.994 433 N HN 0.497 nan 8.380 nan 0.000 0.489 434 G N 2.038 110.758 108.800 -0.133 0.000 2.390 434 G HA2 -0.374 3.588 3.960 0.003 0.000 0.299 434 G HA3 -0.374 3.588 3.960 0.003 0.000 0.299 434 G C 0.434 175.275 174.900 -0.099 0.000 1.002 434 G CA 0.677 45.709 45.100 -0.115 0.000 0.979 434 G HN 0.738 nan 8.290 nan 0.000 0.513 435 N N -0.432 118.200 118.700 -0.113 0.000 2.235 435 N HA 0.359 5.101 4.740 0.003 0.000 0.209 435 N C 1.555 176.963 175.510 -0.170 0.000 1.122 435 N CA 0.430 53.409 53.050 -0.119 0.000 0.845 435 N CB 0.009 38.428 38.487 -0.113 0.000 1.004 435 N HN 1.457 nan 8.380 nan 0.000 0.499 436 G N -0.679 108.027 108.800 -0.157 0.000 2.159 436 G HA2 -0.241 3.721 3.960 0.003 0.000 0.256 436 G HA3 -0.241 3.721 3.960 0.003 0.000 0.256 436 G C -0.527 174.243 174.900 -0.218 0.000 0.977 436 G CA 0.396 45.403 45.100 -0.156 0.000 0.652 436 G HN 0.324 nan 8.290 nan 0.000 0.531 437 V N 1.665 121.404 119.914 -0.291 0.000 2.305 437 V HA 0.391 4.513 4.120 0.003 0.000 0.275 437 V C -1.642 174.309 176.094 -0.237 0.000 1.020 437 V CA -1.652 60.444 62.300 -0.340 0.000 0.811 437 V CB 1.657 33.099 31.823 -0.634 0.000 1.031 437 V HN 0.070 nan 8.190 nan 0.000 0.439 438 P HA 0.168 nan 4.420 nan 0.000 0.270 438 P C -0.466 176.730 177.300 -0.173 0.000 1.221 438 P CA 0.120 63.122 63.100 -0.164 0.000 0.788 438 P CB 0.703 32.291 31.700 -0.186 0.000 0.904 439 E N -0.438 119.700 120.200 -0.103 0.000 2.369 439 E HA 0.444 4.796 4.350 0.003 0.000 0.270 439 E C -1.025 175.567 176.600 -0.012 0.000 0.909 439 E CA -0.555 55.797 56.400 -0.079 0.000 0.775 439 E CB 0.531 30.233 29.700 0.004 0.000 1.270 439 E HN 0.267 nan 8.360 nan 0.000 0.445 440 Y N 0.260 120.647 120.300 0.144 0.000 2.301 440 Y HA 0.622 5.174 4.550 0.003 0.000 0.328 440 Y C 1.095 177.091 175.900 0.160 0.000 1.242 440 Y CA 0.634 58.842 58.100 0.181 0.000 1.323 440 Y CB 1.230 39.724 38.460 0.057 0.000 1.266 440 Y HN 0.613 nan 8.280 nan 0.000 0.527 441 G N -0.514 108.519 108.800 0.389 0.000 2.694 441 G HA2 0.725 4.687 3.960 0.003 0.000 0.246 441 G HA3 0.725 4.687 3.960 0.003 0.000 0.246 441 G C -1.860 173.233 174.900 0.321 0.000 1.205 441 G CA -0.208 45.062 45.100 0.284 0.000 0.891 441 G HN 0.828 nan 8.290 nan 0.000 0.515 442 A N -1.036 121.983 122.820 0.331 0.000 2.594 442 A HA 0.907 5.229 4.320 0.003 0.000 0.291 442 A C 0.090 177.919 177.584 0.410 0.000 1.105 442 A CA 0.434 52.698 52.037 0.377 0.000 0.694 442 A CB 1.079 20.224 19.000 0.243 0.000 1.291 442 A HN 1.875 nan 8.150 nan 0.000 0.410 443 T N -1.270 113.519 114.554 0.391 0.000 2.849 443 T HA 0.605 4.957 4.350 0.003 0.000 0.276 443 T C 0.329 175.234 174.700 0.341 0.000 0.971 443 T CA -0.610 61.615 62.100 0.208 0.000 0.949 443 T CB 0.709 69.534 68.868 -0.072 0.000 1.093 443 T HN 0.841 nan 8.240 nan 0.000 0.545 444 R N 0.666 121.247 120.500 0.134 0.000 2.340 444 R HA 0.438 4.780 4.340 0.003 0.000 0.300 444 R C -1.134 175.221 176.300 0.091 0.000 1.069 444 R CA -0.204 55.992 56.100 0.160 0.000 0.984 444 R CB 0.065 30.384 30.300 0.031 0.000 1.003 444 R HN 0.889 nan 8.270 nan 0.000 0.459 445 D N 1.676 122.120 120.400 0.073 0.000 2.609 445 D HA 0.158 4.800 4.640 0.003 0.000 0.239 445 D C -0.070 176.203 176.300 -0.046 0.000 1.229 445 D CA -0.687 53.251 54.000 -0.103 0.000 0.808 445 D CB 1.683 42.205 40.800 -0.463 0.000 1.448 445 D HN 0.453 nan 8.370 nan 0.000 0.433 446 K N 0.757 121.137 120.400 -0.033 0.000 2.280 446 K HA -0.028 4.294 4.320 0.003 0.000 0.202 446 K C 1.355 177.962 176.600 0.012 0.000 1.047 446 K CA 1.118 57.410 56.287 0.008 0.000 0.942 446 K CB 0.002 32.511 32.500 0.015 0.000 0.739 446 K HN 0.352 nan 8.250 nan 0.000 0.457 447 A N 0.152 122.948 122.820 -0.040 0.000 2.178 447 A HA -0.025 4.297 4.320 0.003 0.000 0.211 447 A C 1.253 178.924 177.584 0.144 0.000 1.157 447 A CA 0.605 52.656 52.037 0.023 0.000 0.780 447 A CB -0.317 18.692 19.000 0.015 0.000 0.828 447 A HN 0.345 nan 8.150 nan 0.000 0.476 448 H N -0.858 118.231 119.070 0.031 0.000 2.604 448 H HA 0.108 4.667 4.556 0.005 0.000 0.273 448 H C -0.091 175.257 175.328 0.033 0.000 0.971 448 H CA 0.257 56.300 56.048 -0.008 0.000 1.249 448 H CB 0.265 30.051 29.762 0.040 0.000 1.449 448 H HN 0.729 nan 8.280 nan 0.000 0.512 449 N N -0.114 118.708 118.700 0.203 0.000 2.732 449 N HA 0.146 4.888 4.740 0.003 0.000 0.259 449 N C -0.566 175.004 175.510 0.101 0.000 1.402 449 N CA -0.757 52.393 53.050 0.166 0.000 0.829 449 N CB 1.213 39.843 38.487 0.239 0.000 1.495 449 N HN -0.033 nan 8.380 nan 0.000 0.511 450 T N -2.717 111.886 114.554 0.082 0.000 2.754 450 T HA 0.206 4.558 4.350 0.003 0.000 0.286 450 T C 0.799 175.531 174.700 0.052 0.000 0.997 450 T CA -0.335 61.797 62.100 0.053 0.000 0.982 450 T CB 0.518 69.410 68.868 0.040 0.000 1.027 450 T HN 0.578 nan 8.240 nan 0.000 0.529 451 E N 0.534 120.756 120.200 0.038 0.000 2.097 451 E HA -0.172 4.180 4.350 0.003 0.000 0.196 451 E C 2.379 179.001 176.600 0.036 0.000 1.000 451 E CA 1.634 58.054 56.400 0.034 0.000 0.804 451 E CB -0.278 29.438 29.700 0.025 0.000 0.740 451 E HN 0.826 nan 8.360 nan 0.000 0.454 452 S N -0.769 114.953 115.700 0.037 0.000 2.515 452 S HA 0.058 4.530 4.470 0.003 0.000 0.231 452 S C 1.609 176.237 174.600 0.046 0.000 0.987 452 S CA 0.562 58.784 58.200 0.037 0.000 0.936 452 S CB 0.362 63.583 63.200 0.035 0.000 0.766 452 S HN 0.432 nan 8.310 nan 0.000 0.528 453 G N 0.449 109.286 108.800 0.061 0.000 2.148 453 G HA2 -0.187 3.775 3.960 0.003 0.000 0.203 453 G HA3 -0.187 3.775 3.960 0.003 0.000 0.203 453 G C -0.364 174.602 174.900 0.110 0.000 0.993 453 G CA -0.172 44.975 45.100 0.079 0.000 0.661 453 G HN 0.566 nan 8.290 nan 0.000 0.518 454 E N 0.255 120.518 120.200 0.105 0.000 2.313 454 E HA 0.404 4.756 4.350 0.003 0.000 0.276 454 E C 0.804 177.501 176.600 0.162 0.000 1.031 454 E CA -0.469 56.007 56.400 0.126 0.000 0.857 454 E CB 0.884 30.640 29.700 0.094 0.000 1.040 454 E HN 0.419 nan 8.360 nan 0.000 0.408 455 M N 4.297 124.025 119.600 0.214 0.000 2.238 455 M HA 0.098 4.580 4.480 0.003 0.000 0.350 455 M C -1.023 175.379 176.300 0.170 0.000 1.321 455 M CA 0.072 55.495 55.300 0.205 0.000 1.097 455 M CB 0.284 33.005 32.600 0.202 0.000 1.713 455 M HN 0.413 nan 8.290 nan 0.000 0.455 456 L N 6.509 127.784 121.223 0.087 0.000 2.357 456 L HA 0.638 4.980 4.340 0.003 0.000 0.273 456 L C -0.745 176.182 176.870 0.095 0.000 1.080 456 L CA -0.608 54.248 54.840 0.025 0.000 0.803 456 L CB 0.897 42.952 42.059 -0.006 0.000 1.174 456 L HN 0.778 nan 8.230 nan 0.000 0.443 457 F N -0.829 119.075 119.950 -0.077 0.000 2.708 457 F HA 0.539 5.068 4.527 0.004 0.000 0.309 457 F C -1.111 174.646 175.800 -0.072 0.000 1.120 457 F CA -0.768 57.170 58.000 -0.104 0.000 0.978 457 F CB 1.318 40.257 39.000 -0.102 0.000 1.283 457 F HN 0.173 nan 8.300 nan 0.000 0.439 458 T N 2.792 117.393 114.554 0.078 0.000 2.792 458 T HA 0.614 4.966 4.350 0.003 0.000 0.280 458 T C -0.896 173.844 174.700 0.067 0.000 0.990 458 T CA -0.667 61.430 62.100 -0.005 0.000 0.960 458 T CB 1.658 70.510 68.868 -0.027 0.000 0.939 458 T HN 0.603 nan 8.240 nan 0.000 0.439 459 V N 3.863 123.811 119.914 0.057 0.000 2.407 459 V HA 0.543 4.665 4.120 0.003 0.000 0.278 459 V C 0.135 176.250 176.094 0.035 0.000 1.037 459 V CA -0.718 61.599 62.300 0.029 0.000 0.900 459 V CB 1.280 33.148 31.823 0.075 0.000 0.983 459 V HN 0.612 nan 8.190 nan 0.000 0.459 460 K N 4.113 124.543 120.400 0.049 0.000 2.270 460 K HA 0.698 5.020 4.320 0.003 0.000 0.255 460 K C -0.927 175.747 176.600 0.123 0.000 0.936 460 K CA -0.717 55.614 56.287 0.074 0.000 0.809 460 K CB 1.424 33.960 32.500 0.060 0.000 1.131 460 K HN 0.541 nan 8.250 nan 0.000 0.427 461 K N 2.857 123.313 120.400 0.094 0.000 2.652 461 K HA 0.543 4.865 4.320 0.003 0.000 0.249 461 K C -0.012 176.622 176.600 0.058 0.000 0.986 461 K CA 0.385 56.727 56.287 0.091 0.000 0.867 461 K CB 0.919 33.476 32.500 0.095 0.000 1.201 461 K HN 0.681 nan 8.250 nan 0.000 0.450 462 G N 3.504 112.333 108.800 0.049 0.000 2.565 462 G HA2 -0.303 3.659 3.960 0.003 0.000 0.295 462 G HA3 -0.303 3.659 3.960 0.003 0.000 0.295 462 G C 0.084 175.003 174.900 0.031 0.000 1.165 462 G CA 0.448 45.569 45.100 0.034 0.000 0.977 462 G HN 0.627 nan 8.290 nan 0.000 0.546 463 D N 1.452 121.868 120.400 0.026 0.000 2.395 463 D HA 0.170 4.812 4.640 0.003 0.000 0.213 463 D C 0.408 176.721 176.300 0.022 0.000 1.110 463 D CA 0.194 54.207 54.000 0.022 0.000 0.835 463 D CB 0.333 41.142 40.800 0.016 0.000 0.965 463 D HN 0.186 nan 8.370 nan 0.000 0.505 464 K N 1.599 122.014 120.400 0.026 0.000 2.227 464 K HA 0.337 4.659 4.320 0.003 0.000 0.280 464 K C 0.502 177.119 176.600 0.028 0.000 1.041 464 K CA -0.127 56.175 56.287 0.025 0.000 0.905 464 K CB 2.022 34.538 32.500 0.027 0.000 1.068 464 K HN 0.093 nan 8.250 nan 0.000 0.470 465 E N 1.408 121.618 120.200 0.018 0.000 2.249 465 E HA 0.337 4.689 4.350 0.003 0.000 0.263 465 E C -0.866 175.735 176.600 0.002 0.000 0.950 465 E CA -0.723 55.685 56.400 0.012 0.000 0.827 465 E CB 1.995 31.697 29.700 0.004 0.000 1.220 465 E HN 0.423 nan 8.360 nan 0.000 0.411 466 E N 1.319 121.512 120.200 -0.010 0.000 2.448 466 E HA 0.100 4.452 4.350 0.003 0.000 0.288 466 E C -1.560 174.982 176.600 -0.096 0.000 0.936 466 E CA -0.330 56.050 56.400 -0.033 0.000 0.809 466 E CB 0.966 30.665 29.700 -0.003 0.000 1.408 466 E HN 0.509 nan 8.360 nan 0.000 0.393 467 T N 1.442 115.924 114.554 -0.120 0.000 2.761 467 T HA 0.385 4.737 4.350 0.003 0.000 0.296 467 T C 0.147 174.667 174.700 -0.300 0.000 0.934 467 T CA -0.427 61.553 62.100 -0.200 0.000 1.091 467 T CB 1.231 70.020 68.868 -0.131 0.000 0.896 467 T HN 0.408 nan 8.240 nan 0.000 0.515 468 Q N 1.727 121.166 119.800 -0.603 0.000 2.873 468 Q HA 0.766 5.108 4.340 0.003 0.000 0.297 468 Q C -0.712 174.840 176.000 -0.747 0.000 1.064 468 Q CA -1.246 54.145 55.803 -0.687 0.000 0.816 468 Q CB 2.288 30.523 28.738 -0.838 0.000 1.481 468 Q HN 0.917 nan 8.270 nan 0.000 0.488 469 S N -1.546 113.920 115.700 -0.390 0.000 2.570 469 S HA 0.872 5.344 4.470 0.003 0.000 0.270 469 S C -0.575 174.127 174.600 0.170 0.000 1.149 469 S CA -0.311 57.842 58.200 -0.078 0.000 0.837 469 S CB 1.858 65.038 63.200 -0.034 0.000 1.124 469 S HN 1.212 nan 8.310 nan 0.000 0.465 470 G N 0.318 109.273 108.800 0.260 0.000 3.225 470 G HA2 0.107 4.069 3.960 0.003 0.000 0.686 470 G HA3 0.107 4.069 3.960 0.003 0.000 0.686 470 G C -0.161 174.938 174.900 0.331 0.000 1.105 470 G CA -0.241 45.012 45.100 0.255 0.000 0.831 470 G HN 1.452 nan 8.290 nan 0.000 0.578 471 L N 2.000 123.370 121.223 0.245 0.000 2.046 471 L HA -0.017 4.325 4.340 0.003 0.000 0.208 471 L C 2.528 179.550 176.870 0.253 0.000 1.077 471 L CA 2.691 57.679 54.840 0.246 0.000 0.747 471 L CB -0.396 41.777 42.059 0.190 0.000 0.896 471 L HN 0.705 nan 8.230 nan 0.000 0.432 472 N N 0.128 118.935 118.700 0.179 0.000 2.104 472 N HA -0.197 4.545 4.740 0.003 0.000 0.190 472 N C 1.554 177.134 175.510 0.117 0.000 1.024 472 N CA 1.593 54.718 53.050 0.125 0.000 0.853 472 N CB -0.605 37.941 38.487 0.098 0.000 1.008 472 N HN 0.497 nan 8.380 nan 0.000 0.424 473 N N 0.728 119.539 118.700 0.185 0.000 2.166 473 N HA -0.180 4.562 4.740 0.003 0.000 0.186 473 N C 1.798 177.404 175.510 0.159 0.000 1.019 473 N CA 0.700 53.885 53.050 0.223 0.000 0.856 473 N CB -0.521 38.172 38.487 0.342 0.000 0.993 473 N HN 0.416 nan 8.380 nan 0.000 0.426 474 Y N 1.857 122.101 120.300 -0.094 0.000 2.114 474 Y HA -0.151 4.401 4.550 0.004 0.000 0.284 474 Y C 2.396 178.115 175.900 -0.303 0.000 1.143 474 Y CA 1.789 59.499 58.100 -0.651 0.000 1.135 474 Y CB -0.745 37.316 38.460 -0.666 0.000 0.980 474 Y HN 0.049 nan 8.280 nan 0.000 0.499 475 A N 1.020 123.572 122.820 -0.447 0.000 1.892 475 A HA -0.284 4.038 4.320 0.003 0.000 0.218 475 A C 2.452 179.857 177.584 -0.298 0.000 1.188 475 A CA 3.315 55.084 52.037 -0.447 0.000 0.631 475 A CB -1.554 17.380 19.000 -0.110 0.000 0.822 475 A HN 0.620 nan 8.150 nan 0.000 0.447 476 R N -0.777 119.634 120.500 -0.148 0.000 2.083 476 R HA -0.027 4.315 4.340 0.003 0.000 0.237 476 R C 2.265 178.522 176.300 -0.072 0.000 1.137 476 R CA 1.894 57.952 56.100 -0.071 0.000 0.951 476 R CB -1.888 28.409 30.300 -0.004 0.000 0.851 476 R HN 0.464 nan 8.270 nan 0.000 0.434 477 V N 0.740 120.595 119.914 -0.098 0.000 2.332 477 V HA -0.242 3.880 4.120 0.003 0.000 0.248 477 V C 2.589 178.703 176.094 0.034 0.000 1.055 477 V CA 1.994 64.280 62.300 -0.023 0.000 1.038 477 V CB -0.380 31.401 31.823 -0.070 0.000 0.651 477 V HN 0.436 nan 8.190 nan 0.000 0.450 478 V N -0.143 119.663 119.914 -0.180 0.000 2.427 478 V HA -0.267 3.855 4.120 0.003 0.000 0.248 478 V C 2.412 178.488 176.094 -0.031 0.000 1.051 478 V CA 2.208 64.462 62.300 -0.077 0.000 1.048 478 V CB -0.557 31.050 31.823 -0.360 0.000 0.666 478 V HN 0.675 nan 8.190 nan 0.000 0.456 479 E N 0.562 120.715 120.200 -0.079 0.000 2.051 479 E HA -0.287 4.065 4.350 0.003 0.000 0.192 479 E C 2.341 178.926 176.600 -0.025 0.000 0.991 479 E CA 1.661 58.032 56.400 -0.049 0.000 0.799 479 E CB -0.119 29.551 29.700 -0.050 0.000 0.748 479 E HN 0.560 nan 8.360 nan 0.000 0.449 480 K N -0.238 120.159 120.400 -0.004 0.000 2.057 480 K HA -0.115 4.207 4.320 0.003 0.000 0.207 480 K C 0.980 177.560 176.600 -0.033 0.000 1.049 480 K CA 1.245 57.532 56.287 0.000 0.000 0.931 480 K CB -0.314 32.205 32.500 0.031 0.000 0.714 480 K HN 0.312 nan 8.250 nan 0.000 0.440 481 G N 1.776 110.552 108.800 -0.039 0.000 2.295 481 G HA2 -0.270 3.692 3.960 0.003 0.000 0.287 481 G HA3 -0.270 3.692 3.960 0.003 0.000 0.287 481 G C -0.226 174.473 174.900 -0.335 0.000 1.055 481 G CA 0.672 45.599 45.100 -0.289 0.000 0.922 481 G HN 0.579 nan 8.290 nan 0.000 0.503 482 Q N -0.869 118.837 119.800 -0.156 0.000 2.302 482 Q HA 0.408 4.750 4.340 0.003 0.000 0.332 482 Q C -0.042 175.958 176.000 0.001 0.000 0.913 482 Q CA -0.357 55.398 55.803 -0.080 0.000 1.098 482 Q CB 0.363 29.104 28.738 0.005 0.000 1.236 482 Q HN 0.852 nan 8.270 nan 0.000 0.436 483 Y N -3.854 116.454 120.300 0.014 0.000 2.576 483 Y HA 0.463 5.016 4.550 0.004 0.000 0.346 483 Y C 0.218 176.129 175.900 0.019 0.000 1.018 483 Y CA -1.439 56.675 58.100 0.022 0.000 1.050 483 Y CB 0.901 39.380 38.460 0.033 0.000 1.280 483 Y HN -0.217 nan 8.280 nan 0.000 0.474 484 D N 0.757 121.296 120.400 0.232 0.000 2.162 484 D HA 0.042 4.684 4.640 0.003 0.000 0.205 484 D C 0.079 176.532 176.300 0.254 0.000 0.964 484 D CA 1.621 55.709 54.000 0.146 0.000 0.847 484 D CB 0.299 41.158 40.800 0.098 0.000 0.988 484 D HN 0.561 nan 8.370 nan 0.000 0.480 485 S N -0.551 115.363 115.700 0.358 0.000 2.596 485 S HA 0.561 5.033 4.470 0.003 0.000 0.270 485 S C -1.476 173.165 174.600 0.067 0.000 1.155 485 S CA -0.989 57.368 58.200 0.261 0.000 0.827 485 S CB 2.381 65.657 63.200 0.126 0.000 1.130 485 S HN -0.005 nan 8.310 nan 0.000 0.467 486 L N 1.147 122.330 121.223 -0.068 0.000 2.406 486 L HA 0.592 4.934 4.340 0.003 0.000 0.272 486 L C -1.131 175.685 176.870 -0.090 0.000 0.980 486 L CA -0.214 54.495 54.840 -0.219 0.000 0.831 486 L CB 1.590 43.376 42.059 -0.456 0.000 1.253 486 L HN 0.902 nan 8.230 nan 0.000 0.406 487 E N 6.575 126.747 120.200 -0.046 0.000 2.081 487 E HA 0.474 4.826 4.350 0.003 0.000 0.276 487 E C -0.976 175.582 176.600 -0.070 0.000 0.950 487 E CA -0.152 56.215 56.400 -0.054 0.000 0.776 487 E CB 1.583 31.266 29.700 -0.028 0.000 1.094 487 E HN 0.476 nan 8.360 nan 0.000 0.402 488 I N 4.819 125.277 120.570 -0.187 0.000 2.420 488 I HA 0.197 4.369 4.170 0.003 0.000 0.282 488 I C -1.925 173.957 176.117 -0.391 0.000 1.019 488 I CA -2.349 58.778 61.300 -0.288 0.000 1.130 488 I CB 1.590 39.281 38.000 -0.515 0.000 1.262 488 I HN 0.245 nan 8.210 nan 0.000 0.454 489 P HA -0.261 nan 4.420 nan 0.000 0.216 489 P C 1.555 178.495 177.300 -0.600 0.000 1.154 489 P CA 1.553 64.476 63.100 -0.295 0.000 0.865 489 P CB 0.346 32.005 31.700 -0.069 0.000 0.789 490 A N -0.619 121.693 122.820 -0.846 0.000 1.933 490 A HA -0.263 4.059 4.320 0.003 0.000 0.218 490 A C 2.340 179.391 177.584 -0.888 0.000 1.175 490 A CA 1.786 53.092 52.037 -1.218 0.000 0.628 490 A CB -1.360 16.958 19.000 -1.136 0.000 0.814 490 A HN 0.218 nan 8.150 nan 0.000 0.444 491 Q N -0.504 118.597 119.800 -1.164 0.000 2.245 491 Q HA -0.041 4.301 4.340 0.003 0.000 0.201 491 Q C 1.752 177.392 176.000 -0.600 0.000 0.955 491 Q CA 1.170 56.283 55.803 -1.150 0.000 0.870 491 Q CB -0.082 27.853 28.738 -1.337 0.000 0.945 491 Q HN 0.411 nan 8.270 nan 0.000 0.461 492 V N 0.588 120.143 119.914 -0.599 0.000 2.358 492 V HA -0.227 3.895 4.120 0.003 0.000 0.246 492 V C 2.272 177.793 176.094 -0.955 0.000 1.047 492 V CA 1.730 63.667 62.300 -0.606 0.000 1.035 492 V CB -0.845 30.623 31.823 -0.592 0.000 0.658 492 V HN 0.501 nan 8.190 nan 0.000 0.452 493 A N 0.012 122.297 122.820 -0.891 0.000 1.933 493 A HA -0.088 4.234 4.320 0.003 0.000 0.218 493 A C 2.410 179.859 177.584 -0.225 0.000 1.175 493 A CA 1.886 53.531 52.037 -0.654 0.000 0.628 493 A CB -0.694 18.197 19.000 -0.181 0.000 0.814 493 A HN 0.563 nan 8.150 nan 0.000 0.444 494 A N 0.434 123.136 122.820 -0.196 0.000 1.972 494 A HA -0.113 4.209 4.320 0.003 0.000 0.219 494 A C 2.497 179.992 177.584 -0.148 0.000 1.169 494 A CA 2.324 54.349 52.037 -0.020 0.000 0.635 494 A CB -0.900 18.170 19.000 0.117 0.000 0.810 494 A HN 1.001 nan 8.150 nan 0.000 0.446 495 S N -1.680 113.888 115.700 -0.220 0.000 2.406 495 S HA -0.160 4.312 4.470 0.003 0.000 0.228 495 S C 1.736 176.268 174.600 -0.114 0.000 1.020 495 S CA 1.047 59.109 58.200 -0.229 0.000 0.965 495 S CB -0.621 62.558 63.200 -0.036 0.000 0.798 495 S HN 0.658 nan 8.310 nan 0.000 0.488 496 W N 2.171 123.385 121.300 -0.143 0.000 2.388 496 W HA 0.195 4.855 4.660 0.001 0.000 0.294 496 W C 2.503 178.944 176.519 -0.131 0.000 1.212 496 W CA 0.401 57.691 57.345 -0.092 0.000 1.271 496 W CB -1.196 28.283 29.460 0.031 0.000 1.126 496 W HN 0.539 nan 8.180 nan 0.000 0.535 497 E N 0.657 120.933 120.200 0.127 0.000 2.153 497 E HA -0.195 4.157 4.350 0.003 0.000 0.194 497 E C 2.254 178.653 176.600 -0.334 0.000 0.988 497 E CA 1.990 58.435 56.400 0.076 0.000 0.811 497 E CB -0.069 29.787 29.700 0.259 0.000 0.746 497 E HN 0.131 nan 8.360 nan 0.000 0.466 498 S N -1.202 114.058 115.700 -0.733 0.000 2.453 498 S HA 0.032 4.504 4.470 0.003 0.000 0.231 498 S C 1.772 175.848 174.600 -0.873 0.000 1.005 498 S CA 0.889 58.269 58.200 -1.367 0.000 0.949 498 S CB 0.029 62.379 63.200 -1.418 0.000 0.774 498 S HN 0.526 nan 8.310 nan 0.000 0.510 499 G N 1.425 109.858 108.800 -0.611 0.000 2.199 499 G HA2 -0.261 3.701 3.960 0.003 0.000 0.254 499 G HA3 -0.261 3.701 3.960 0.003 0.000 0.254 499 G C 0.329 174.769 174.900 -0.766 0.000 0.982 499 G CA 0.146 44.899 45.100 -0.579 0.000 0.632 499 G HN 0.608 nan 8.290 nan 0.000 0.529 500 R N 0.656 120.657 120.500 -0.832 0.000 2.653 500 R HA 0.311 4.653 4.340 0.003 0.000 0.269 500 R C 0.564 176.554 176.300 -0.517 0.000 1.603 500 R CA 0.166 55.487 56.100 -1.298 0.000 1.671 500 R CB 0.302 30.060 30.300 -0.904 0.000 1.300 500 R HN 0.353 nan 8.270 nan 0.000 0.668 501 D N -0.735 119.453 120.400 -0.354 0.000 2.411 501 D HA -0.192 4.450 4.640 0.003 0.000 0.226 501 D C 0.572 176.572 176.300 -0.500 0.000 0.988 501 D CA 0.935 54.807 54.000 -0.214 0.000 0.938 501 D CB 0.216 41.031 40.800 0.024 0.000 0.883 501 D HN 0.264 nan 8.370 nan 0.000 0.525 502 D N -0.954 119.341 120.400 -0.175 0.000 2.540 502 D HA 0.299 4.941 4.640 0.003 0.000 0.229 502 D C -0.132 176.341 176.300 0.289 0.000 1.250 502 D CA -0.244 53.646 54.000 -0.183 0.000 0.817 502 D CB 0.350 41.217 40.800 0.112 0.000 1.060 502 D HN 0.242 nan 8.370 nan 0.000 0.508 503 A N 0.227 123.310 122.820 0.439 0.000 2.462 503 A HA 0.517 4.839 4.320 0.003 0.000 0.243 503 A C 1.688 179.584 177.584 0.519 0.000 1.076 503 A CA 0.432 52.763 52.037 0.490 0.000 0.773 503 A CB 0.533 19.763 19.000 0.383 0.000 1.010 503 A HN 0.271 nan 8.150 nan 0.000 0.493 504 A N 2.206 125.272 122.820 0.410 0.000 1.908 504 A HA -0.074 4.248 4.320 0.003 0.000 0.218 504 A C 2.111 179.882 177.584 0.312 0.000 1.181 504 A CA 1.938 54.255 52.037 0.467 0.000 0.627 504 A CB -1.013 18.266 19.000 0.466 0.000 0.818 504 A HN 1.572 nan 8.150 nan 0.000 0.445 505 V N -1.146 118.793 119.914 0.041 0.000 2.568 505 V HA -0.185 3.937 4.120 0.003 0.000 0.253 505 V C 1.512 177.440 176.094 -0.276 0.000 1.072 505 V CA 1.776 63.943 62.300 -0.222 0.000 1.084 505 V CB -0.728 30.844 31.823 -0.418 0.000 0.676 505 V HN 0.504 nan 8.190 nan 0.000 0.469 506 F N 1.015 121.090 119.950 0.207 0.000 2.664 506 F HA 0.500 5.029 4.527 0.004 0.000 0.301 506 F C 1.710 177.439 175.800 -0.118 0.000 1.126 506 F CA 0.157 58.236 58.000 0.132 0.000 1.373 506 F CB -0.410 38.776 39.000 0.309 0.000 1.042 506 F HN 0.265 nan 8.300 nan 0.000 0.535 507 G N -0.330 108.534 108.800 0.106 0.000 2.143 507 G HA2 -0.310 3.652 3.960 0.003 0.000 0.249 507 G HA3 -0.310 3.652 3.960 0.003 0.000 0.249 507 G C -0.017 174.873 174.900 -0.017 0.000 0.981 507 G CA -0.505 44.649 45.100 0.091 0.000 0.665 507 G HN 0.191 nan 8.290 nan 0.000 0.528 508 F N 0.305 120.452 119.950 0.328 0.000 2.404 508 F HA 0.763 5.291 4.527 0.003 0.000 0.358 508 F C 0.627 176.478 175.800 0.086 0.000 1.120 508 F CA -0.908 57.209 58.000 0.195 0.000 1.144 508 F CB 1.267 40.391 39.000 0.207 0.000 1.133 508 F HN 0.167 nan 8.300 nan 0.000 0.495 509 I N 3.308 123.921 120.570 0.071 0.000 2.743 509 I HA 0.270 4.442 4.170 0.003 0.000 0.292 509 I C -1.602 174.443 176.117 -0.120 0.000 1.343 509 I CA -0.880 60.313 61.300 -0.179 0.000 1.038 509 I CB 1.721 39.260 38.000 -0.769 0.000 1.311 509 I HN 0.576 nan 8.210 nan 0.000 0.426 510 D N 6.269 126.616 120.400 -0.087 0.000 2.344 510 D HA 0.229 4.871 4.640 0.003 0.000 0.244 510 D C 0.679 176.930 176.300 -0.082 0.000 1.134 510 D CA -0.452 53.517 54.000 -0.051 0.000 0.930 510 D CB 1.037 41.823 40.800 -0.023 0.000 1.175 510 D HN 0.479 nan 8.370 nan 0.000 0.437 511 K N 0.299 120.671 120.400 -0.047 0.000 2.034 511 K HA -0.266 4.056 4.320 0.003 0.000 0.214 511 K C 1.688 178.261 176.600 -0.044 0.000 1.051 511 K CA 1.883 58.144 56.287 -0.043 0.000 0.931 511 K CB -0.209 32.280 32.500 -0.018 0.000 0.715 511 K HN 0.426 nan 8.250 nan 0.000 0.446 512 E N 1.080 121.260 120.200 -0.033 0.000 2.049 512 E HA -0.212 4.140 4.350 0.003 0.000 0.198 512 E C 2.108 178.691 176.600 -0.029 0.000 1.007 512 E CA 1.543 57.929 56.400 -0.023 0.000 0.809 512 E CB -0.191 29.500 29.700 -0.015 0.000 0.749 512 E HN 0.337 nan 8.360 nan 0.000 0.450 513 Q N -0.378 119.389 119.800 -0.054 0.000 2.084 513 Q HA -0.119 4.223 4.340 0.003 0.000 0.202 513 Q C 2.219 178.160 176.000 -0.098 0.000 0.978 513 Q CA 1.033 56.794 55.803 -0.069 0.000 0.844 513 Q CB -0.213 28.456 28.738 -0.115 0.000 0.898 513 Q HN 0.185 nan 8.270 nan 0.000 0.426 514 L N 1.408 122.528 121.223 -0.173 0.000 2.046 514 L HA -0.181 4.161 4.340 0.003 0.000 0.208 514 L C 1.501 178.370 176.870 -0.002 0.000 1.077 514 L CA 1.887 56.618 54.840 -0.181 0.000 0.747 514 L CB -0.465 41.458 42.059 -0.226 0.000 0.896 514 L HN 0.113 nan 8.230 nan 0.000 0.432 515 D N -0.313 120.082 120.400 -0.009 0.000 2.149 515 D HA -0.243 4.399 4.640 0.003 0.000 0.198 515 D C 2.072 178.392 176.300 0.033 0.000 0.990 515 D CA 1.367 55.376 54.000 0.015 0.000 0.839 515 D CB -0.051 40.750 40.800 0.001 0.000 0.948 515 D HN 0.446 nan 8.370 nan 0.000 0.460 516 K N -0.153 120.268 120.400 0.036 0.000 2.026 516 K HA -0.207 4.115 4.320 0.003 0.000 0.208 516 K C 2.311 178.960 176.600 0.082 0.000 1.048 516 K CA 0.823 57.138 56.287 0.048 0.000 0.929 516 K CB -0.326 32.204 32.500 0.049 0.000 0.713 516 K HN 0.065 nan 8.250 nan 0.000 0.439 517 Y N 1.516 121.813 120.300 -0.005 0.000 2.081 517 Y HA -0.284 4.268 4.550 0.004 0.000 0.280 517 Y C 1.928 177.866 175.900 0.062 0.000 1.163 517 Y CA 1.905 60.036 58.100 0.053 0.000 1.135 517 Y CB -0.441 38.062 38.460 0.073 0.000 0.970 517 Y HN -0.120 nan 8.280 nan 0.000 0.498 518 V N 0.377 120.350 119.914 0.098 0.000 2.343 518 V HA -0.304 3.818 4.120 0.003 0.000 0.247 518 V C 2.628 178.691 176.094 -0.052 0.000 1.051 518 V CA 1.782 64.087 62.300 0.007 0.000 1.036 518 V CB -1.594 30.276 31.823 0.078 0.000 0.654 518 V HN 0.575 nan 8.190 nan 0.000 0.451 519 A N 0.336 123.142 122.820 -0.023 0.000 2.125 519 A HA -0.138 4.184 4.320 0.003 0.000 0.219 519 A C 1.702 179.255 177.584 -0.051 0.000 1.156 519 A CA 1.460 53.480 52.037 -0.028 0.000 0.671 519 A CB -0.468 18.526 19.000 -0.010 0.000 0.794 519 A HN 0.626 nan 8.150 nan 0.000 0.459 520 N N -1.016 117.631 118.700 -0.089 0.000 2.235 520 N HA 0.229 4.971 4.740 0.003 0.000 0.209 520 N C 1.017 176.438 175.510 -0.148 0.000 1.122 520 N CA 0.939 53.928 53.050 -0.103 0.000 0.845 520 N CB 0.824 39.257 38.487 -0.091 0.000 1.004 520 N HN 0.584 nan 8.380 nan 0.000 0.499 521 G N -0.649 108.054 108.800 -0.162 0.000 2.201 521 G HA2 -0.179 3.783 3.960 0.003 0.000 0.212 521 G HA3 -0.179 3.783 3.960 0.003 0.000 0.212 521 G C 0.440 175.209 174.900 -0.218 0.000 0.994 521 G CA -0.216 44.791 45.100 -0.154 0.000 0.644 521 G HN 0.575 nan 8.290 nan 0.000 0.508 522 G N -0.097 108.447 108.800 -0.425 0.000 2.504 522 G HA2 0.570 4.532 3.960 0.003 0.000 0.288 522 G HA3 0.570 4.532 3.960 0.003 0.000 0.288 522 G C -0.220 174.627 174.900 -0.089 0.000 1.182 522 G CA -0.453 44.332 45.100 -0.525 0.000 0.894 522 G HN 0.356 nan 8.290 nan 0.000 0.521 523 K N -0.153 120.350 120.400 0.171 0.000 2.182 523 K HA 0.206 4.528 4.320 0.003 0.000 0.262 523 K C 1.385 178.202 176.600 0.363 0.000 0.957 523 K CA -0.689 55.717 56.287 0.198 0.000 0.842 523 K CB 2.513 35.081 32.500 0.114 0.000 1.099 523 K HN 0.683 nan 8.250 nan 0.000 0.438 524 R N 0.809 121.464 120.500 0.259 0.000 2.127 524 R HA -0.155 4.187 4.340 0.003 0.000 0.238 524 R C 1.400 177.841 176.300 0.236 0.000 1.134 524 R CA 2.269 58.524 56.100 0.259 0.000 0.975 524 R CB -0.400 29.972 30.300 0.120 0.000 0.865 524 R HN 0.576 nan 8.270 nan 0.000 0.447 525 S N 0.423 116.211 115.700 0.148 0.000 2.507 525 S HA -0.089 4.383 4.470 0.003 0.000 0.235 525 S C 0.944 175.591 174.600 0.077 0.000 0.988 525 S CA 1.018 59.274 58.200 0.093 0.000 0.944 525 S CB -0.026 63.201 63.200 0.045 0.000 0.762 525 S HN 0.317 nan 8.310 nan 0.000 0.526 526 D N 0.668 121.132 120.400 0.106 0.000 2.264 526 D HA -0.017 4.625 4.640 0.003 0.000 0.208 526 D C 0.445 176.557 176.300 -0.313 0.000 0.966 526 D CA 0.718 54.673 54.000 -0.075 0.000 0.864 526 D CB -0.238 40.545 40.800 -0.028 0.000 0.933 526 D HN 0.695 nan 8.370 nan 0.000 0.499 527 W N 0.714 121.966 121.300 -0.080 0.000 3.316 527 W HA 0.175 4.837 4.660 0.003 0.000 0.327 527 W C 0.255 176.726 176.519 -0.080 0.000 1.232 527 W CA -0.170 57.106 57.345 -0.114 0.000 1.805 527 W CB 0.033 29.399 29.460 -0.157 0.000 1.090 527 W HN -0.346 nan 8.180 nan 0.000 0.654 528 T N 1.606 116.213 114.554 0.088 0.000 2.743 528 T HA 0.322 4.674 4.350 0.003 0.000 0.293 528 T C -0.029 174.692 174.700 0.036 0.000 0.945 528 T CA -0.167 61.973 62.100 0.067 0.000 1.030 528 T CB 1.341 70.254 68.868 0.074 0.000 0.912 528 T HN -0.431 nan 8.240 nan 0.000 0.483 529 V N 5.903 125.838 119.914 0.037 0.000 2.333 529 V HA 0.260 4.382 4.120 0.003 0.000 0.274 529 V C 0.639 176.804 176.094 0.118 0.000 1.028 529 V CA -0.819 61.519 62.300 0.064 0.000 0.851 529 V CB 0.698 32.564 31.823 0.072 0.000 1.000 529 V HN 0.745 nan 8.190 nan 0.000 0.456 530 K N 3.542 124.022 120.400 0.134 0.000 2.258 530 K HA 0.402 4.724 4.320 0.003 0.000 0.264 530 K C -0.824 175.933 176.600 0.262 0.000 1.007 530 K CA -0.127 56.283 56.287 0.205 0.000 0.941 530 K CB 0.786 33.367 32.500 0.136 0.000 0.966 530 K HN 0.459 nan 8.250 nan 0.000 0.480 531 F N 0.278 120.268 119.950 0.067 0.000 2.561 531 F HA 0.592 5.120 4.527 0.003 0.000 0.321 531 F C -0.743 174.988 175.800 -0.115 0.000 1.065 531 F CA -0.569 57.364 58.000 -0.111 0.000 0.934 531 F CB 1.830 40.628 39.000 -0.338 0.000 1.215 531 F HN 0.586 nan 8.300 nan 0.000 0.471 532 A N 3.035 125.483 122.820 -0.619 0.000 2.587 532 A HA 0.642 4.964 4.320 0.003 0.000 0.293 532 A C -1.504 175.784 177.584 -0.492 0.000 1.087 532 A CA -0.852 50.882 52.037 -0.505 0.000 0.692 532 A CB 1.468 19.982 19.000 -0.810 0.000 1.291 532 A HN 0.733 nan 8.150 nan 0.000 0.407 533 E N 0.992 121.063 120.200 -0.216 0.000 2.248 533 E HA 0.569 4.921 4.350 0.003 0.000 0.272 533 E C -1.147 175.392 176.600 -0.100 0.000 1.008 533 E CA -1.036 55.256 56.400 -0.180 0.000 0.856 533 E CB 1.100 30.738 29.700 -0.103 0.000 1.120 533 E HN 0.431 nan 8.360 nan 0.000 0.397 534 N N 1.925 120.518 118.700 -0.179 0.000 2.443 534 N HA 0.314 5.056 4.740 0.003 0.000 0.269 534 N C -1.009 174.426 175.510 -0.126 0.000 0.985 534 N CA -0.541 52.468 53.050 -0.069 0.000 0.921 534 N CB 1.574 40.000 38.487 -0.102 0.000 1.195 534 N HN 0.374 nan 8.380 nan 0.000 0.492 535 R N 0.072 120.523 120.500 -0.083 0.000 2.711 535 R HA 0.491 4.833 4.340 0.003 0.000 0.284 535 R C 0.476 176.730 176.300 -0.076 0.000 0.968 535 R CA -0.715 55.335 56.100 -0.082 0.000 0.924 535 R CB 1.580 31.846 30.300 -0.057 0.000 1.162 535 R HN 0.636 nan 8.270 nan 0.000 0.465 536 S N 0.589 116.250 115.700 -0.066 0.000 2.640 536 S HA -0.014 4.458 4.470 0.003 0.000 0.262 536 S C 1.089 175.661 174.600 -0.047 0.000 1.232 536 S CA -0.447 57.719 58.200 -0.057 0.000 0.988 536 S CB 0.906 64.080 63.200 -0.043 0.000 1.034 536 S HN 0.654 nan 8.310 nan 0.000 0.569 537 Q N 1.060 120.836 119.800 -0.040 0.000 2.084 537 Q HA -0.138 4.204 4.340 0.003 0.000 0.202 537 Q C 1.160 177.145 176.000 -0.025 0.000 0.978 537 Q CA 2.374 58.157 55.803 -0.033 0.000 0.844 537 Q CB -0.796 27.925 28.738 -0.029 0.000 0.898 537 Q HN 0.957 nan 8.270 nan 0.000 0.426 538 D N -2.209 118.178 120.400 -0.021 0.000 2.338 538 D HA 0.134 4.776 4.640 0.003 0.000 0.239 538 D C 0.918 177.209 176.300 -0.015 0.000 1.095 538 D CA 0.717 54.708 54.000 -0.015 0.000 0.888 538 D CB -0.228 40.565 40.800 -0.011 0.000 0.899 538 D HN 0.387 nan 8.370 nan 0.000 0.525 539 G N -0.762 108.025 108.800 -0.021 0.000 2.176 539 G HA2 -0.286 3.676 3.960 0.003 0.000 0.253 539 G HA3 -0.286 3.676 3.960 0.003 0.000 0.253 539 G C 0.432 175.318 174.900 -0.024 0.000 0.979 539 G CA 0.240 45.328 45.100 -0.020 0.000 0.641 539 G HN 0.441 nan 8.290 nan 0.000 0.530 540 T N 1.338 115.876 114.554 -0.027 0.000 2.916 540 T HA 0.394 4.746 4.350 0.003 0.000 0.303 540 T C 0.439 175.107 174.700 -0.053 0.000 1.025 540 T CA 0.074 62.156 62.100 -0.030 0.000 1.142 540 T CB 1.579 70.433 68.868 -0.023 0.000 0.947 540 T HN 0.655 nan 8.240 nan 0.000 0.544 541 L N 5.147 126.334 121.223 -0.061 0.000 2.369 541 L HA 0.251 4.593 4.340 0.003 0.000 0.279 541 L C 0.632 177.427 176.870 -0.125 0.000 1.108 541 L CA 0.275 55.047 54.840 -0.114 0.000 0.852 541 L CB -0.203 41.786 42.059 -0.117 0.000 1.169 541 L HN 0.693 nan 8.230 nan 0.000 0.452 542 L N 4.930 126.059 121.223 -0.157 0.000 2.354 542 L HA 0.462 4.804 4.340 0.003 0.000 0.212 542 L C 1.185 177.954 176.870 -0.168 0.000 1.091 542 L CA 0.515 55.275 54.840 -0.133 0.000 0.828 542 L CB -0.428 41.550 42.059 -0.136 0.000 0.973 542 L HN 0.894 nan 8.230 nan 0.000 0.461 543 G N -1.731 106.881 108.800 -0.313 0.000 2.441 543 G HA2 0.146 4.108 3.960 0.003 0.000 0.222 543 G HA3 0.146 4.108 3.960 0.003 0.000 0.222 543 G C -2.002 172.480 174.900 -0.695 0.000 1.254 543 G CA -0.700 44.177 45.100 -0.372 0.000 0.959 543 G HN -0.143 nan 8.290 nan 0.000 0.474 544 Y N -0.594 119.647 120.300 -0.099 0.000 2.609 544 Y HA 0.816 5.368 4.550 0.002 0.000 0.342 544 Y C 0.255 175.933 175.900 -0.371 0.000 1.058 544 Y CA -0.754 57.152 58.100 -0.323 0.000 1.055 544 Y CB 2.513 40.758 38.460 -0.360 0.000 1.292 544 Y HN 0.612 nan 8.280 nan 0.000 0.476 545 S N 0.999 116.405 115.700 -0.490 0.000 2.541 545 S HA 0.571 5.043 4.470 0.003 0.000 0.271 545 S C -1.223 173.094 174.600 -0.471 0.000 1.133 545 S CA -0.859 57.147 58.200 -0.323 0.000 0.876 545 S CB 1.235 64.329 63.200 -0.176 0.000 1.105 545 S HN 0.472 nan 8.310 nan 0.000 0.470 546 L N 2.245 123.427 121.223 -0.069 0.000 2.439 546 L HA 0.320 4.662 4.340 0.003 0.000 0.269 546 L C 0.108 176.984 176.870 0.010 0.000 1.179 546 L CA -0.306 54.604 54.840 0.116 0.000 0.828 546 L CB 0.162 42.372 42.059 0.252 0.000 1.106 546 L HN 0.543 nan 8.230 nan 0.000 0.467 547 L N 3.903 125.142 121.223 0.027 0.000 2.533 547 L HA 0.203 4.545 4.340 0.003 0.000 0.239 547 L C -0.011 176.897 176.870 0.064 0.000 1.376 547 L CA 0.407 55.253 54.840 0.010 0.000 1.240 547 L CB -0.470 41.596 42.059 0.012 0.000 1.487 547 L HN 0.630 nan 8.230 nan 0.000 0.419 548 Q N 0.830 120.681 119.800 0.084 0.000 2.352 548 Q HA 0.280 4.622 4.340 0.003 0.000 0.270 548 Q C -1.366 174.696 176.000 0.103 0.000 1.006 548 Q CA -0.629 55.237 55.803 0.106 0.000 0.880 548 Q CB 2.021 30.851 28.738 0.153 0.000 1.392 548 Q HN 0.296 nan 8.270 nan 0.000 0.401 549 E N 1.629 121.880 120.200 0.084 0.000 2.113 549 E HA 0.358 4.710 4.350 0.003 0.000 0.273 549 E C -1.045 175.587 176.600 0.053 0.000 0.924 549 E CA -0.459 55.968 56.400 0.045 0.000 0.764 549 E CB 1.828 31.560 29.700 0.052 0.000 1.104 549 E HN 0.403 nan 8.360 nan 0.000 0.406 550 S N 1.758 117.471 115.700 0.021 0.000 2.545 550 S HA -0.012 4.460 4.470 0.003 0.000 0.275 550 S C 1.093 175.661 174.600 -0.054 0.000 1.299 550 S CA -0.536 57.691 58.200 0.046 0.000 1.048 550 S CB 1.686 65.016 63.200 0.217 0.000 0.938 550 S HN 0.488 nan 8.310 nan 0.000 0.496 551 V N 3.067 122.948 119.914 -0.055 0.000 2.515 551 V HA -0.143 3.979 4.120 0.003 0.000 0.250 551 V C 1.962 177.895 176.094 -0.268 0.000 1.058 551 V CA 2.336 64.551 62.300 -0.142 0.000 1.064 551 V CB -0.528 31.212 31.823 -0.137 0.000 0.675 551 V HN 0.999 nan 8.190 nan 0.000 0.461 552 D N -0.580 119.674 120.400 -0.243 0.000 2.123 552 D HA -0.263 4.379 4.640 0.003 0.000 0.200 552 D C 2.030 178.024 176.300 -0.510 0.000 0.976 552 D CA 1.544 55.276 54.000 -0.448 0.000 0.831 552 D CB -0.537 40.117 40.800 -0.244 0.000 0.974 552 D HN 0.557 nan 8.370 nan 0.000 0.469 553 Q N 1.545 121.214 119.800 -0.219 0.000 2.061 553 Q HA -0.097 4.245 4.340 0.003 0.000 0.204 553 Q C 2.164 177.978 176.000 -0.311 0.000 0.984 553 Q CA 2.623 58.233 55.803 -0.321 0.000 0.846 553 Q CB -0.686 27.584 28.738 -0.779 0.000 0.902 553 Q HN 0.300 nan 8.270 nan 0.000 0.421 554 A N -0.475 122.182 122.820 -0.271 0.000 1.933 554 A HA -0.134 4.188 4.320 0.003 0.000 0.218 554 A C 2.331 179.806 177.584 -0.182 0.000 1.175 554 A CA 1.726 53.641 52.037 -0.205 0.000 0.628 554 A CB -0.737 18.183 19.000 -0.134 0.000 0.814 554 A HN 0.449 nan 8.150 nan 0.000 0.444 555 S N -1.165 114.363 115.700 -0.287 0.000 2.383 555 S HA -0.108 4.364 4.470 0.003 0.000 0.227 555 S C 1.756 176.255 174.600 -0.169 0.000 1.026 555 S CA 1.322 59.346 58.200 -0.292 0.000 0.981 555 S CB -0.498 62.419 63.200 -0.472 0.000 0.818 555 S HN 0.662 nan 8.310 nan 0.000 0.472 556 Y N 1.125 121.355 120.300 -0.116 0.000 2.314 556 Y HA 0.119 4.672 4.550 0.004 0.000 0.293 556 Y C 2.365 178.185 175.900 -0.133 0.000 1.129 556 Y CA 0.239 58.272 58.100 -0.112 0.000 1.201 556 Y CB -0.533 37.842 38.460 -0.141 0.000 0.999 556 Y HN 0.201 nan 8.280 nan 0.000 0.541 557 M N -1.696 117.874 119.600 -0.051 0.000 2.200 557 M HA -0.212 4.270 4.480 0.003 0.000 0.265 557 M C 2.053 178.357 176.300 0.006 0.000 1.066 557 M CA 1.320 56.555 55.300 -0.107 0.000 1.127 557 M CB -1.395 31.090 32.600 -0.191 0.000 1.379 557 M HN 0.385 nan 8.290 nan 0.000 0.420 558 Y N 0.841 121.093 120.300 -0.080 0.000 2.145 558 Y HA -0.251 4.301 4.550 0.003 0.000 0.286 558 Y C 2.876 178.766 175.900 -0.017 0.000 1.145 558 Y CA 2.286 60.350 58.100 -0.059 0.000 1.148 558 Y CB -0.534 37.853 38.460 -0.121 0.000 0.981 558 Y HN 0.251 nan 8.280 nan 0.000 0.507 559 S N -0.329 115.406 115.700 0.058 0.000 2.359 559 S HA -0.275 4.197 4.470 0.003 0.000 0.224 559 S C 1.924 176.606 174.600 0.137 0.000 1.035 559 S CA 2.028 60.275 58.200 0.079 0.000 1.018 559 S CB -0.854 62.477 63.200 0.218 0.000 0.876 559 S HN 0.727 nan 8.310 nan 0.000 0.448 560 D N 1.011 121.472 120.400 0.102 0.000 2.092 560 D HA -0.118 4.524 4.640 0.003 0.000 0.193 560 D C 2.037 178.321 176.300 -0.027 0.000 0.994 560 D CA 1.584 55.634 54.000 0.082 0.000 0.828 560 D CB -0.432 40.405 40.800 0.061 0.000 0.963 560 D HN 0.415 nan 8.370 nan 0.000 0.450 561 N N -0.944 117.724 118.700 -0.054 0.000 2.120 561 N HA -0.195 4.547 4.740 0.003 0.000 0.188 561 N C 1.752 177.145 175.510 -0.195 0.000 1.024 561 N CA 1.066 54.046 53.050 -0.116 0.000 0.852 561 N CB -0.487 38.011 38.487 0.018 0.000 1.003 561 N HN 0.421 nan 8.380 nan 0.000 0.424 562 H N 0.154 118.985 119.070 -0.398 0.000 2.290 562 H HA -0.129 4.429 4.556 0.003 0.000 0.298 562 H C 1.511 176.615 175.328 -0.373 0.000 1.087 562 H CA 1.889 57.645 56.048 -0.487 0.000 1.291 562 H CB -0.312 29.004 29.762 -0.744 0.000 1.369 562 H HN 0.205 nan 8.280 nan 0.000 0.492 563 Y N -0.206 119.990 120.300 -0.173 0.000 2.314 563 Y HA -0.054 4.498 4.550 0.003 0.000 0.293 563 Y C 2.575 178.345 175.900 -0.218 0.000 1.129 563 Y CA 0.843 58.839 58.100 -0.174 0.000 1.201 563 Y CB -0.288 38.171 38.460 -0.001 0.000 0.999 563 Y HN 0.195 nan 8.280 nan 0.000 0.541 564 L N -1.080 120.036 121.223 -0.180 0.000 2.093 564 L HA -0.211 4.131 4.340 0.003 0.000 0.208 564 L C 2.603 179.343 176.870 -0.217 0.000 1.085 564 L CA 1.040 55.667 54.840 -0.355 0.000 0.755 564 L CB -0.663 40.762 42.059 -1.057 0.000 0.904 564 L HN 0.225 nan 8.230 nan 0.000 0.435 565 A N -0.179 122.527 122.820 -0.190 0.000 1.902 565 A HA -0.226 4.096 4.320 0.003 0.000 0.217 565 A C 2.143 179.666 177.584 -0.101 0.000 1.181 565 A CA 1.631 53.651 52.037 -0.028 0.000 0.623 565 A CB -0.401 18.567 19.000 -0.053 0.000 0.818 565 A HN 0.428 nan 8.150 nan 0.000 0.443 566 E N -0.699 119.386 120.200 -0.191 0.000 2.077 566 E HA -0.166 4.187 4.350 0.003 0.000 0.193 566 E C 2.105 178.616 176.600 -0.149 0.000 0.989 566 E CA 1.463 57.761 56.400 -0.171 0.000 0.800 566 E CB -0.242 29.349 29.700 -0.181 0.000 0.746 566 E HN 0.662 nan 8.360 nan 0.000 0.452 567 M N 0.157 119.675 119.600 -0.137 0.000 2.175 567 M HA -0.088 4.394 4.480 0.003 0.000 0.264 567 M C 2.513 178.619 176.300 -0.324 0.000 1.063 567 M CA 1.151 56.322 55.300 -0.214 0.000 1.119 567 M CB -0.177 32.362 32.600 -0.102 0.000 1.377 567 M HN 0.114 nan 8.290 nan 0.000 0.415 568 A N 0.229 122.906 122.820 -0.238 0.000 1.908 568 A HA -0.169 4.153 4.320 0.003 0.000 0.218 568 A C 2.210 179.661 177.584 -0.221 0.000 1.181 568 A CA 2.376 54.241 52.037 -0.287 0.000 0.627 568 A CB -1.211 17.802 19.000 0.023 0.000 0.818 568 A HN 0.448 nan 8.150 nan 0.000 0.445 569 T N 0.500 114.964 114.554 -0.150 0.000 2.708 569 T HA -0.112 4.240 4.350 0.003 0.000 0.266 569 T C 1.802 176.416 174.700 -0.144 0.000 1.037 569 T CA 1.432 63.459 62.100 -0.121 0.000 1.146 569 T CB -0.314 68.499 68.868 -0.092 0.000 0.865 569 T HN 0.309 nan 8.240 nan 0.000 0.435 570 I N 1.203 121.662 120.570 -0.185 0.000 2.194 570 I HA -0.093 4.079 4.170 0.003 0.000 0.246 570 I C 2.009 178.005 176.117 -0.203 0.000 1.093 570 I CA 1.456 62.636 61.300 -0.199 0.000 1.355 570 I CB -1.134 36.668 38.000 -0.330 0.000 1.046 570 I HN 0.296 nan 8.210 nan 0.000 0.413 571 L N 0.292 121.353 121.223 -0.270 0.000 2.612 571 L HA 0.172 4.514 4.340 0.003 0.000 0.230 571 L C 1.259 178.011 176.870 -0.196 0.000 1.140 571 L CA 0.368 55.050 54.840 -0.264 0.000 0.896 571 L CB -0.560 41.249 42.059 -0.417 0.000 1.065 571 L HN 0.470 nan 8.230 nan 0.000 0.447 572 G N 1.249 109.956 108.800 -0.157 0.000 2.246 572 G HA2 -0.302 3.660 3.960 0.003 0.000 0.273 572 G HA3 -0.302 3.660 3.960 0.003 0.000 0.273 572 G C 0.201 175.036 174.900 -0.108 0.000 1.055 572 G CA 0.057 45.091 45.100 -0.111 0.000 0.851 572 G HN 0.474 nan 8.290 nan 0.000 0.500 573 K N 0.359 120.681 120.400 -0.130 0.000 2.724 573 K HA 0.252 4.574 4.320 0.003 0.000 0.198 573 K C -1.170 175.391 176.600 -0.065 0.000 1.099 573 K CA -1.401 54.827 56.287 -0.098 0.000 1.025 573 K CB 1.858 34.280 32.500 -0.130 0.000 1.509 573 K HN 0.181 nan 8.250 nan 0.000 0.564 574 P HA -0.223 nan 4.420 nan 0.000 0.216 574 P C 0.641 177.920 177.300 -0.035 0.000 1.153 574 P CA 1.413 64.487 63.100 -0.042 0.000 0.858 574 P CB 0.452 32.129 31.700 -0.040 0.000 0.789 575 E N 0.298 120.475 120.200 -0.038 0.000 2.150 575 E HA -0.130 4.222 4.350 0.003 0.000 0.193 575 E C 2.088 178.650 176.600 -0.063 0.000 0.985 575 E CA 0.893 57.266 56.400 -0.045 0.000 0.814 575 E CB -0.384 29.291 29.700 -0.043 0.000 0.752 575 E HN 0.508 nan 8.360 nan 0.000 0.466 576 E N 0.596 120.768 120.200 -0.047 0.000 2.107 576 E HA -0.065 4.287 4.350 0.003 0.000 0.191 576 E C 2.012 178.595 176.600 -0.029 0.000 0.982 576 E CA 0.761 57.119 56.400 -0.070 0.000 0.809 576 E CB -0.012 29.731 29.700 0.071 0.000 0.756 576 E HN 0.159 nan 8.360 nan 0.000 0.459 577 A N 1.833 124.681 122.820 0.046 0.000 1.902 577 A HA -0.210 4.112 4.320 0.003 0.000 0.217 577 A C 1.963 179.566 177.584 0.032 0.000 1.181 577 A CA 1.319 53.407 52.037 0.085 0.000 0.623 577 A CB -0.242 18.765 19.000 0.012 0.000 0.818 577 A HN 0.034 nan 8.150 nan 0.000 0.443 578 K N -0.549 119.839 120.400 -0.020 0.000 2.057 578 K HA -0.137 4.185 4.320 0.003 0.000 0.207 578 K C 2.332 178.902 176.600 -0.051 0.000 1.049 578 K CA 1.458 57.727 56.287 -0.030 0.000 0.931 578 K CB -0.217 32.261 32.500 -0.037 0.000 0.714 578 K HN 0.411 nan 8.250 nan 0.000 0.440 579 R N -0.140 120.287 120.500 -0.123 0.000 2.083 579 R HA -0.159 4.183 4.340 0.003 0.000 0.237 579 R C 2.332 178.534 176.300 -0.164 0.000 1.137 579 R CA 1.661 57.647 56.100 -0.190 0.000 0.951 579 R CB -0.496 29.604 30.300 -0.334 0.000 0.851 579 R HN 0.245 nan 8.270 nan 0.000 0.434 580 Y N 0.619 120.892 120.300 -0.045 0.000 2.181 580 Y HA -0.153 4.399 4.550 0.003 0.000 0.288 580 Y C 2.555 178.418 175.900 -0.062 0.000 1.146 580 Y CA 1.057 59.117 58.100 -0.067 0.000 1.164 580 Y CB -0.465 37.934 38.460 -0.102 0.000 0.982 580 Y HN 0.008 nan 8.280 nan 0.000 0.515 581 R N 0.392 120.946 120.500 0.089 0.000 2.096 581 R HA -0.241 4.101 4.340 0.003 0.000 0.235 581 R C 2.360 178.683 176.300 0.039 0.000 1.127 581 R CA 1.792 57.915 56.100 0.037 0.000 0.968 581 R CB -0.262 30.050 30.300 0.020 0.000 0.861 581 R HN 0.480 nan 8.270 nan 0.000 0.440 582 Q N 0.392 120.209 119.800 0.027 0.000 2.079 582 Q HA -0.150 4.192 4.340 0.003 0.000 0.200 582 Q C 2.089 178.116 176.000 0.045 0.000 0.974 582 Q CA 1.347 57.166 55.803 0.027 0.000 0.840 582 Q CB -0.019 28.720 28.738 0.002 0.000 0.898 582 Q HN 0.418 nan 8.270 nan 0.000 0.430 583 L N 0.291 121.547 121.223 0.055 0.000 2.093 583 L HA -0.130 4.212 4.340 0.003 0.000 0.208 583 L C 2.624 179.548 176.870 0.091 0.000 1.085 583 L CA 0.909 55.798 54.840 0.081 0.000 0.755 583 L CB -0.624 41.520 42.059 0.142 0.000 0.904 583 L HN 0.289 nan 8.230 nan 0.000 0.435 584 A N -0.249 122.610 122.820 0.065 0.000 1.877 584 A HA -0.285 4.037 4.320 0.003 0.000 0.216 584 A C 2.225 179.951 177.584 0.237 0.000 1.186 584 A CA 1.865 53.919 52.037 0.028 0.000 0.620 584 A CB -0.565 18.294 19.000 -0.235 0.000 0.822 584 A HN 0.375 nan 8.150 nan 0.000 0.443 585 Q N -0.175 119.725 119.800 0.168 0.000 2.096 585 Q HA -0.221 4.121 4.340 0.003 0.000 0.204 585 Q C 2.113 178.191 176.000 0.130 0.000 0.982 585 Q CA 2.334 58.234 55.803 0.163 0.000 0.850 585 Q CB -0.436 28.360 28.738 0.098 0.000 0.901 585 Q HN 0.766 nan 8.270 nan 0.000 0.422 586 Q N -0.609 119.255 119.800 0.106 0.000 2.084 586 Q HA -0.120 4.222 4.340 0.003 0.000 0.202 586 Q C 2.142 178.209 176.000 0.112 0.000 0.978 586 Q CA 1.509 57.366 55.803 0.090 0.000 0.844 586 Q CB -0.124 28.650 28.738 0.060 0.000 0.898 586 Q HN 0.389 nan 8.270 nan 0.000 0.426 587 L N -0.073 121.224 121.223 0.123 0.000 2.046 587 L HA -0.190 4.152 4.340 0.003 0.000 0.208 587 L C 2.470 179.405 176.870 0.109 0.000 1.077 587 L CA 0.943 55.853 54.840 0.115 0.000 0.747 587 L CB -0.527 41.614 42.059 0.137 0.000 0.896 587 L HN 0.235 nan 8.230 nan 0.000 0.432 588 A N -0.160 122.721 122.820 0.102 0.000 1.902 588 A HA -0.249 4.073 4.320 0.003 0.000 0.217 588 A C 1.917 179.492 177.584 -0.014 0.000 1.181 588 A CA 2.069 54.055 52.037 -0.085 0.000 0.623 588 A CB -0.560 18.371 19.000 -0.116 0.000 0.818 588 A HN 0.359 nan 8.150 nan 0.000 0.443 589 D N -1.813 118.618 120.400 0.050 0.000 2.144 589 D HA -0.153 4.489 4.640 0.003 0.000 0.199 589 D C 1.667 178.013 176.300 0.077 0.000 0.984 589 D CA 1.455 55.486 54.000 0.051 0.000 0.834 589 D CB -0.422 40.416 40.800 0.063 0.000 0.955 589 D HN 0.627 nan 8.370 nan 0.000 0.465 590 Y N 1.096 121.393 120.300 -0.005 0.000 2.163 590 Y HA -0.120 4.432 4.550 0.004 0.000 0.288 590 Y C 2.254 178.157 175.900 0.005 0.000 1.136 590 Y CA 1.186 59.286 58.100 -0.001 0.000 1.147 590 Y CB -0.190 38.265 38.460 -0.008 0.000 0.987 590 Y HN -0.108 nan 8.280 nan 0.000 0.509 591 I N 0.273 120.939 120.570 0.160 0.000 2.163 591 I HA -0.383 3.789 4.170 0.003 0.000 0.243 591 I C 1.731 177.925 176.117 0.129 0.000 1.085 591 I CA 2.117 63.462 61.300 0.074 0.000 1.347 591 I CB -0.522 37.421 38.000 -0.095 0.000 1.044 591 I HN 0.313 nan 8.210 nan 0.000 0.408 592 N N -0.413 118.338 118.700 0.086 0.000 2.216 592 N HA -0.120 4.622 4.740 0.003 0.000 0.183 592 N C 1.658 177.207 175.510 0.066 0.000 1.017 592 N CA 1.596 54.710 53.050 0.107 0.000 0.861 592 N CB -0.009 38.472 38.487 -0.010 0.000 0.986 592 N HN 0.252 nan 8.380 nan 0.000 0.428 593 T N -0.717 113.834 114.554 -0.006 0.000 2.894 593 T HA -0.002 4.351 4.350 0.003 0.000 0.258 593 T C 1.965 176.613 174.700 -0.088 0.000 1.043 593 T CA 0.697 62.769 62.100 -0.046 0.000 1.141 593 T CB -0.148 68.669 68.868 -0.086 0.000 0.873 593 T HN 0.364 nan 8.240 nan 0.000 0.449 594 c N 0.600 119.078 118.600 -0.204 0.000 2.524 594 c HA 0.331 4.903 4.570 0.003 0.000 0.284 594 c C 2.558 176.609 174.090 -0.065 0.000 1.346 594 c CA 0.014 56.189 56.329 -0.256 0.000 1.739 594 c CB -0.832 41.255 42.510 -0.704 0.000 2.119 594 c HN 0.489 nan 8.230 nan 0.000 0.501 595 M N -0.629 119.004 119.600 0.054 0.000 2.509 595 M HA 0.190 4.672 4.480 0.003 0.000 0.250 595 M C 0.201 176.676 176.300 0.292 0.000 1.132 595 M CA 0.426 55.840 55.300 0.191 0.000 1.080 595 M CB 0.144 32.871 32.600 0.211 0.000 1.408 595 M HN 0.252 nan 8.290 nan 0.000 0.484 596 F N 1.456 121.429 119.950 0.039 0.000 2.404 596 F HA 0.284 4.813 4.527 0.003 0.000 0.345 596 F C -0.232 175.513 175.800 -0.092 0.000 1.110 596 F CA -1.170 56.684 58.000 -0.244 0.000 1.130 596 F CB 0.551 39.261 39.000 -0.484 0.000 1.129 596 F HN -0.127 nan 8.300 nan 0.000 0.500 597 D N 8.147 128.078 120.400 -0.781 0.000 2.441 597 D HA 0.387 5.029 4.640 0.003 0.000 0.231 597 D C -2.151 173.647 176.300 -0.837 0.000 1.073 597 D CA -2.427 51.267 54.000 -0.510 0.000 0.850 597 D CB 1.871 42.593 40.800 -0.130 0.000 1.062 597 D HN 0.195 nan 8.370 nan 0.000 0.524 598 P HA -0.128 nan 4.420 nan 0.000 0.215 598 P C 1.208 178.414 177.300 -0.157 0.000 1.153 598 P CA 1.158 64.114 63.100 -0.240 0.000 0.853 598 P CB 0.246 31.949 31.700 0.005 0.000 0.788 599 T N -1.000 113.476 114.554 -0.130 0.000 2.699 599 T HA -0.141 4.211 4.350 0.003 0.000 0.268 599 T C 1.578 176.245 174.700 -0.055 0.000 1.036 599 T CA 2.235 64.291 62.100 -0.074 0.000 1.147 599 T CB -1.155 67.670 68.868 -0.071 0.000 0.862 599 T HN 0.332 nan 8.240 nan 0.000 0.446 600 T N -0.953 113.565 114.554 -0.060 0.000 3.105 600 T HA 0.232 4.584 4.350 0.003 0.000 0.253 600 T C 0.464 175.182 174.700 0.030 0.000 1.047 600 T CA -0.228 61.883 62.100 0.019 0.000 0.944 600 T CB -0.207 68.735 68.868 0.124 0.000 1.016 600 T HN 0.412 nan 8.240 nan 0.000 0.544 601 Q N 0.352 120.094 119.800 -0.096 0.000 2.435 601 Q HA -0.165 4.177 4.340 0.003 0.000 0.312 601 Q C -0.926 175.138 176.000 0.107 0.000 1.333 601 Q CA 0.362 56.146 55.803 -0.032 0.000 0.883 601 Q CB -1.684 27.131 28.738 0.129 0.000 1.170 601 Q HN 0.681 nan 8.270 nan 0.000 0.443 602 F N -1.273 118.424 119.950 -0.422 0.000 2.711 602 F HA 0.496 5.025 4.527 0.003 0.000 0.313 602 F C -1.067 174.424 175.800 -0.516 0.000 1.141 602 F CA -1.058 56.749 58.000 -0.321 0.000 0.941 602 F CB 1.184 40.009 39.000 -0.292 0.000 1.349 602 F HN -0.057 nan 8.300 nan 0.000 0.464 603 Y N 1.511 121.411 120.300 -0.666 0.000 2.387 603 Y HA 0.619 5.171 4.550 0.004 0.000 0.330 603 Y C -1.006 174.531 175.900 -0.604 0.000 1.133 603 Y CA -0.410 57.438 58.100 -0.420 0.000 1.152 603 Y CB 1.289 39.529 38.460 -0.367 0.000 1.215 603 Y HN 0.375 nan 8.280 nan 0.000 0.466 604 Y N -0.631 119.748 120.300 0.130 0.000 2.625 604 Y HA 0.280 4.832 4.550 0.003 0.000 0.338 604 Y C -0.586 175.326 175.900 0.021 0.000 1.123 604 Y CA -1.586 56.552 58.100 0.064 0.000 1.046 604 Y CB 1.093 39.575 38.460 0.036 0.000 1.299 604 Y HN 0.456 nan 8.280 nan 0.000 0.464 605 D N 0.747 121.244 120.400 0.161 0.000 2.360 605 D HA 0.424 5.066 4.640 0.003 0.000 0.242 605 D C -0.745 175.605 176.300 0.084 0.000 1.184 605 D CA 0.125 54.173 54.000 0.080 0.000 0.930 605 D CB 1.097 41.911 40.800 0.023 0.000 1.161 605 D HN 0.387 nan 8.370 nan 0.000 0.447 606 V N -1.676 118.283 119.914 0.075 0.000 2.769 606 V HA 0.627 4.749 4.120 0.003 0.000 0.312 606 V C -0.131 175.995 176.094 0.053 0.000 1.061 606 V CA -1.074 61.259 62.300 0.055 0.000 0.931 606 V CB 1.911 33.776 31.823 0.071 0.000 1.010 606 V HN 0.347 nan 8.190 nan 0.000 0.433 607 R N 2.101 122.617 120.500 0.027 0.000 2.560 607 R HA 0.572 4.914 4.340 0.003 0.000 0.270 607 R C -1.068 175.262 176.300 0.051 0.000 1.074 607 R CA -0.711 55.408 56.100 0.033 0.000 1.140 607 R CB 1.163 31.467 30.300 0.007 0.000 1.073 607 R HN 0.645 nan 8.270 nan 0.000 0.527 608 I N 2.449 123.053 120.570 0.057 0.000 2.282 608 I HA 0.081 4.253 4.170 0.003 0.000 0.290 608 I C 0.407 176.556 176.117 0.053 0.000 1.090 608 I CA 0.197 61.537 61.300 0.067 0.000 1.231 608 I CB 0.388 38.436 38.000 0.079 0.000 1.434 608 I HN 0.423 nan 8.210 nan 0.000 0.487 609 E N 4.040 124.265 120.200 0.042 0.000 2.391 609 E HA 0.037 4.389 4.350 0.003 0.000 0.255 609 E C 0.549 177.169 176.600 0.034 0.000 1.187 609 E CA -0.462 55.955 56.400 0.029 0.000 0.941 609 E CB 0.731 30.441 29.700 0.016 0.000 1.010 609 E HN 0.433 nan 8.360 nan 0.000 0.458 610 D N 0.777 121.193 120.400 0.026 0.000 2.172 610 D HA -0.153 4.489 4.640 0.003 0.000 0.196 610 D C 0.260 176.575 176.300 0.025 0.000 0.999 610 D CA 1.635 55.652 54.000 0.027 0.000 0.856 610 D CB 0.062 40.873 40.800 0.018 0.000 0.934 610 D HN 0.334 nan 8.370 nan 0.000 0.453 611 K N 0.201 120.613 120.400 0.020 0.000 2.464 611 K HA 0.502 4.824 4.320 0.003 0.000 0.253 611 K C -2.993 173.618 176.600 0.019 0.000 0.933 611 K CA -1.708 54.589 56.287 0.017 0.000 0.801 611 K CB 2.766 35.273 32.500 0.010 0.000 1.271 611 K HN -0.270 nan 8.250 nan 0.000 0.430 612 P HA 0.082 nan 4.420 nan 0.000 0.272 612 P C -0.158 177.151 177.300 0.014 0.000 1.230 612 P CA -0.484 62.633 63.100 0.028 0.000 0.788 612 P CB 0.712 32.436 31.700 0.040 0.000 0.949 613 L N 0.812 122.040 121.223 0.007 0.000 2.474 613 L HA 0.089 4.431 4.340 0.003 0.000 0.259 613 L C 2.185 179.053 176.870 -0.004 0.000 1.232 613 L CA -0.261 54.575 54.840 -0.006 0.000 0.821 613 L CB -0.309 41.737 42.059 -0.021 0.000 1.108 613 L HN 0.433 nan 8.230 nan 0.000 0.495 614 A N 1.450 124.265 122.820 -0.008 0.000 1.940 614 A HA -0.199 4.123 4.320 0.003 0.000 0.219 614 A C 1.641 179.221 177.584 -0.006 0.000 1.176 614 A CA 1.924 53.957 52.037 -0.006 0.000 0.631 614 A CB -0.811 18.184 19.000 -0.008 0.000 0.814 614 A HN 0.942 nan 8.150 nan 0.000 0.446 615 N N -0.919 117.772 118.700 -0.015 0.000 2.515 615 N HA 0.223 4.965 4.740 0.003 0.000 0.191 615 N C 1.014 176.518 175.510 -0.011 0.000 1.182 615 N CA 1.313 54.352 53.050 -0.018 0.000 0.879 615 N CB -0.380 38.087 38.487 -0.033 0.000 0.984 615 N HN 0.831 nan 8.380 nan 0.000 0.453 616 G N -1.025 107.777 108.800 0.004 0.000 2.217 616 G HA2 -0.292 3.670 3.960 0.003 0.000 0.246 616 G HA3 -0.292 3.670 3.960 0.003 0.000 0.246 616 G C 0.089 175.028 174.900 0.065 0.000 0.990 616 G CA 0.086 45.209 45.100 0.038 0.000 0.627 616 G HN 0.507 nan 8.290 nan 0.000 0.522 617 c N 1.618 120.207 118.600 -0.019 0.000 2.662 617 c HA 0.539 5.111 4.570 0.003 0.000 0.420 617 c C 2.412 176.537 174.090 0.059 0.000 1.314 617 c CA 0.530 56.818 56.329 -0.068 0.000 1.963 617 c CB 0.583 42.975 42.510 -0.196 0.000 2.686 617 c HN 0.968 nan 8.230 nan 0.000 0.609 618 A N 2.610 125.536 122.820 0.178 0.000 2.070 618 A HA 0.383 4.705 4.320 0.003 0.000 0.220 618 A C 1.118 178.745 177.584 0.072 0.000 1.159 618 A CA 1.549 53.669 52.037 0.138 0.000 0.656 618 A CB -0.397 18.710 19.000 0.178 0.000 0.800 618 A HN 1.395 nan 8.150 nan 0.000 0.453 619 G N -1.750 107.077 108.800 0.045 0.000 2.451 619 G HA2 0.444 4.406 3.960 0.003 0.000 0.292 619 G HA3 0.444 4.406 3.960 0.003 0.000 0.292 619 G C -1.243 173.648 174.900 -0.014 0.000 1.427 619 G CA -0.911 44.197 45.100 0.013 0.000 0.792 619 G HN 0.155 nan 8.290 nan 0.000 0.498 620 K N 1.144 121.526 120.400 -0.030 0.000 2.168 620 K HA 0.384 4.706 4.320 0.003 0.000 0.258 620 K C -2.151 174.416 176.600 -0.054 0.000 1.010 620 K CA -1.234 55.023 56.287 -0.051 0.000 0.929 620 K CB 1.088 33.549 32.500 -0.065 0.000 0.998 620 K HN 0.286 nan 8.250 nan 0.000 0.479 621 P HA 0.050 nan 4.420 nan 0.000 0.271 621 P C -0.289 176.913 177.300 -0.163 0.000 1.216 621 P CA 0.170 63.240 63.100 -0.050 0.000 0.776 621 P CB 0.357 32.055 31.700 -0.004 0.000 0.881 622 I N 3.311 123.796 120.570 -0.141 0.000 2.330 622 I HA -0.050 4.122 4.170 0.003 0.000 0.280 622 I C 2.000 177.878 176.117 -0.398 0.000 1.069 622 I CA -0.223 60.942 61.300 -0.224 0.000 1.873 622 I CB -0.386 37.513 38.000 -0.169 0.000 1.476 622 I HN 0.174 nan 8.210 nan 0.000 0.813 623 V N 0.943 120.490 119.914 -0.612 0.000 2.490 623 V HA -0.224 3.898 4.120 0.003 0.000 0.250 623 V C 2.283 178.141 176.094 -0.392 0.000 1.061 623 V CA 1.745 63.521 62.300 -0.873 0.000 1.064 623 V CB -0.648 30.750 31.823 -0.709 0.000 0.670 623 V HN 0.776 nan 8.190 nan 0.000 0.461 624 E N 1.649 121.690 120.200 -0.265 0.000 2.265 624 E HA -0.257 4.095 4.350 0.003 0.000 0.196 624 E C 2.015 178.509 176.600 -0.177 0.000 0.996 624 E CA 1.385 57.716 56.400 -0.114 0.000 0.832 624 E CB -0.488 29.186 29.700 -0.043 0.000 0.756 624 E HN 0.669 nan 8.360 nan 0.000 0.491 625 R N 0.871 121.141 120.500 -0.382 0.000 2.310 625 R HA 0.171 4.513 4.340 0.003 0.000 0.202 625 R C 0.754 177.062 176.300 0.014 0.000 0.933 625 R CA 0.464 56.252 56.100 -0.519 0.000 1.054 625 R CB 0.237 30.094 30.300 -0.738 0.000 0.985 625 R HN 0.315 nan 8.270 nan 0.000 0.489 626 G N 1.534 110.387 108.800 0.088 0.000 2.757 626 G HA2 -0.254 3.708 3.960 0.003 0.000 0.638 626 G HA3 -0.254 3.708 3.960 0.003 0.000 0.638 626 G C -1.074 174.032 174.900 0.344 0.000 1.344 626 G CA -0.881 44.346 45.100 0.212 0.000 0.855 626 G HN 0.151 nan 8.290 nan 0.000 0.537 627 K N 0.050 120.602 120.400 0.254 0.000 2.118 627 K HA 0.643 4.965 4.320 0.003 0.000 0.267 627 K C 0.651 177.485 176.600 0.389 0.000 0.991 627 K CA 0.109 56.536 56.287 0.233 0.000 0.916 627 K CB 1.660 34.031 32.500 -0.216 0.000 1.041 627 K HN 1.064 nan 8.250 nan 0.000 0.455 628 G N 0.983 110.056 108.800 0.456 0.000 2.725 628 G HA2 0.301 4.263 3.960 0.003 0.000 0.288 628 G HA3 0.301 4.263 3.960 0.003 0.000 0.288 628 G C -2.312 172.553 174.900 -0.058 0.000 1.399 628 G CA -1.111 44.192 45.100 0.339 0.000 0.859 628 G HN 0.285 nan 8.290 nan 0.000 0.479 629 P HA -0.109 nan 4.420 nan 0.000 0.225 629 P C 1.334 177.910 177.300 -1.207 0.000 1.148 629 P CA 1.154 63.390 63.100 -1.440 0.000 0.779 629 P CB 0.232 31.598 31.700 -0.557 0.000 0.780 630 E N 0.616 120.502 120.200 -0.523 0.000 2.204 630 E HA -0.138 4.214 4.350 0.003 0.000 0.195 630 E C 2.143 178.444 176.600 -0.499 0.000 0.990 630 E CA 1.584 57.741 56.400 -0.404 0.000 0.821 630 E CB -1.779 27.798 29.700 -0.206 0.000 0.750 630 E HN 0.218 nan 8.360 nan 0.000 0.477 631 G N 1.323 109.804 108.800 -0.531 0.000 2.462 631 G HA2 -0.243 3.719 3.960 0.003 0.000 0.220 631 G HA3 -0.243 3.719 3.960 0.003 0.000 0.220 631 G C 1.077 175.586 174.900 -0.652 0.000 1.121 631 G CA 0.862 45.484 45.100 -0.796 0.000 0.758 631 G HN 0.604 nan 8.290 nan 0.000 0.559 632 W N -0.681 120.390 121.300 -0.382 0.000 3.132 632 W HA 0.585 5.247 4.660 0.004 0.000 0.364 632 W C 1.766 178.140 176.519 -0.242 0.000 1.129 632 W CA -0.305 56.861 57.345 -0.298 0.000 1.815 632 W CB -0.329 29.008 29.460 -0.205 0.000 1.099 632 W HN 0.009 nan 8.180 nan 0.000 0.605 633 S N 2.056 117.591 115.700 -0.275 0.000 2.382 633 S HA -0.084 4.388 4.470 0.003 0.000 0.228 633 S C -0.460 173.959 174.600 -0.302 0.000 1.027 633 S CA 1.646 59.685 58.200 -0.269 0.000 0.991 633 S CB -1.004 61.910 63.200 -0.477 0.000 0.823 633 S HN 0.070 nan 8.310 nan 0.000 0.469 634 P HA 0.009 nan 4.420 nan 0.000 0.220 634 P C 0.983 178.074 177.300 -0.349 0.000 1.148 634 P CA 0.703 63.456 63.100 -0.579 0.000 0.803 634 P CB 0.051 31.074 31.700 -1.128 0.000 0.782 635 L N -2.352 118.748 121.223 -0.205 0.000 2.102 635 L HA -0.010 4.332 4.340 0.003 0.000 0.202 635 L C 2.208 179.171 176.870 0.154 0.000 1.076 635 L CA 1.445 56.270 54.840 -0.024 0.000 0.761 635 L CB -1.654 40.371 42.059 -0.057 0.000 0.921 635 L HN -0.082 nan 8.230 nan 0.000 0.444 636 F N 0.982 120.924 119.950 -0.014 0.000 2.095 636 F HA -0.231 4.298 4.527 0.003 0.000 0.298 636 F C 2.199 177.972 175.800 -0.045 0.000 1.104 636 F CA 1.681 59.660 58.000 -0.035 0.000 1.232 636 F CB -0.445 38.502 39.000 -0.089 0.000 0.987 636 F HN 0.180 nan 8.300 nan 0.000 0.475 637 N N 0.260 118.717 118.700 -0.405 0.000 2.467 637 N HA 0.061 4.803 4.740 0.003 0.000 0.184 637 N C 1.469 176.852 175.510 -0.212 0.000 1.106 637 N CA 1.047 53.845 53.050 -0.420 0.000 0.892 637 N CB -0.154 38.192 38.487 -0.234 0.000 0.969 637 N HN 0.503 nan 8.380 nan 0.000 0.454 638 G N 0.439 109.142 108.800 -0.162 0.000 2.147 638 G HA2 -0.296 3.666 3.960 0.003 0.000 0.244 638 G HA3 -0.296 3.666 3.960 0.003 0.000 0.244 638 G C 0.828 175.535 174.900 -0.321 0.000 1.005 638 G CA 0.434 45.472 45.100 -0.104 0.000 0.713 638 G HN 0.510 nan 8.290 nan 0.000 0.515 639 A N -0.954 121.497 122.820 -0.615 0.000 2.147 639 A HA 0.778 5.100 4.320 0.003 0.000 0.211 639 A C 1.668 178.978 177.584 -0.456 0.000 1.160 639 A CA 1.666 53.113 52.037 -0.984 0.000 0.781 639 A CB 0.040 18.366 19.000 -1.124 0.000 0.842 639 A HN 2.075 nan 8.150 nan 0.000 0.475 640 A N 0.711 123.359 122.820 -0.288 0.000 2.371 640 A HA 0.513 4.835 4.320 0.003 0.000 0.257 640 A C 0.862 178.396 177.584 -0.084 0.000 1.089 640 A CA 0.355 52.261 52.037 -0.218 0.000 0.794 640 A CB -0.259 18.520 19.000 -0.368 0.000 1.029 640 A HN 0.650 nan 8.150 nan 0.000 0.488 641 T N -0.247 114.239 114.554 -0.112 0.000 2.828 641 T HA 0.269 4.621 4.350 0.003 0.000 0.290 641 T C 0.946 175.624 174.700 -0.038 0.000 1.019 641 T CA 0.161 62.232 62.100 -0.048 0.000 1.031 641 T CB 0.872 69.675 68.868 -0.109 0.000 1.001 641 T HN 0.641 nan 8.240 nan 0.000 0.531 642 Q N 1.378 121.227 119.800 0.082 0.000 2.096 642 Q HA -0.062 4.280 4.340 0.003 0.000 0.204 642 Q C 2.388 178.385 176.000 -0.004 0.000 0.982 642 Q CA 2.361 58.246 55.803 0.138 0.000 0.850 642 Q CB -1.142 27.672 28.738 0.126 0.000 0.901 642 Q HN 0.928 nan 8.270 nan 0.000 0.422 643 A N 0.479 123.262 122.820 -0.063 0.000 1.883 643 A HA -0.240 4.082 4.320 0.003 0.000 0.217 643 A C 1.926 179.384 177.584 -0.210 0.000 1.186 643 A CA 1.878 53.855 52.037 -0.100 0.000 0.624 643 A CB -0.847 18.088 19.000 -0.109 0.000 0.822 643 A HN 0.518 nan 8.150 nan 0.000 0.444 644 N N 0.295 118.751 118.700 -0.406 0.000 2.188 644 N HA -0.040 4.702 4.740 0.003 0.000 0.184 644 N C 1.821 177.105 175.510 -0.377 0.000 1.018 644 N CA 1.479 54.088 53.050 -0.734 0.000 0.858 644 N CB -0.602 37.236 38.487 -1.081 0.000 0.989 644 N HN 0.476 nan 8.380 nan 0.000 0.426 645 A N 1.290 123.905 122.820 -0.342 0.000 1.902 645 A HA -0.142 4.180 4.320 0.003 0.000 0.217 645 A C 1.766 179.271 177.584 -0.131 0.000 1.181 645 A CA 1.540 53.352 52.037 -0.376 0.000 0.623 645 A CB -0.466 17.990 19.000 -0.906 0.000 0.818 645 A HN 0.111 nan 8.150 nan 0.000 0.443 646 D N 0.249 120.642 120.400 -0.011 0.000 2.123 646 D HA -0.128 4.514 4.640 0.003 0.000 0.196 646 D C 2.227 178.541 176.300 0.024 0.000 0.992 646 D CA 1.655 55.713 54.000 0.096 0.000 0.833 646 D CB -0.460 40.423 40.800 0.139 0.000 0.954 646 D HN 0.436 nan 8.370 nan 0.000 0.455 647 A N 0.610 123.450 122.820 0.033 0.000 1.902 647 A HA -0.130 4.192 4.320 0.003 0.000 0.217 647 A C 2.583 180.251 177.584 0.140 0.000 1.181 647 A CA 1.223 53.328 52.037 0.113 0.000 0.623 647 A CB -0.745 18.397 19.000 0.236 0.000 0.818 647 A HN 0.150 nan 8.150 nan 0.000 0.443 648 V N -0.330 119.652 119.914 0.113 0.000 2.343 648 V HA -0.222 3.900 4.120 0.003 0.000 0.247 648 V C 2.579 178.743 176.094 0.116 0.000 1.051 648 V CA 1.952 64.357 62.300 0.174 0.000 1.036 648 V CB -0.681 31.166 31.823 0.040 0.000 0.654 648 V HN 0.372 nan 8.190 nan 0.000 0.451 649 V N -0.250 119.611 119.914 -0.088 0.000 2.392 649 V HA -0.293 3.829 4.120 0.003 0.000 0.249 649 V C 2.418 178.417 176.094 -0.158 0.000 1.059 649 V CA 1.972 64.117 62.300 -0.258 0.000 1.051 649 V CB -0.750 30.629 31.823 -0.740 0.000 0.658 649 V HN 0.554 nan 8.190 nan 0.000 0.455 650 K N -0.368 119.988 120.400 -0.074 0.000 2.097 650 K HA -0.122 4.200 4.320 0.003 0.000 0.206 650 K C 2.055 178.691 176.600 0.060 0.000 1.049 650 K CA 1.339 57.622 56.287 -0.007 0.000 0.933 650 K CB -0.320 32.199 32.500 0.032 0.000 0.717 650 K HN 0.360 nan 8.250 nan 0.000 0.442 651 V N 1.532 121.528 119.914 0.138 0.000 2.358 651 V HA -0.227 3.895 4.120 0.003 0.000 0.246 651 V C 2.195 178.453 176.094 0.274 0.000 1.047 651 V CA 1.581 63.999 62.300 0.197 0.000 1.035 651 V CB -0.364 31.631 31.823 0.286 0.000 0.658 651 V HN 0.336 nan 8.190 nan 0.000 0.452 652 M N -0.604 119.147 119.600 0.251 0.000 2.159 652 M HA -0.118 4.364 4.480 0.003 0.000 0.263 652 M C 1.856 178.221 176.300 0.108 0.000 1.063 652 M CA 1.809 57.212 55.300 0.172 0.000 1.110 652 M CB -0.339 32.196 32.600 -0.107 0.000 1.374 652 M HN 0.253 nan 8.290 nan 0.000 0.411 653 L N -0.615 120.631 121.223 0.039 0.000 2.591 653 L HA 0.042 4.384 4.340 0.003 0.000 0.228 653 L C 0.524 177.429 176.870 0.060 0.000 1.133 653 L CA -0.268 54.588 54.840 0.026 0.000 0.880 653 L CB -0.435 41.611 42.059 -0.022 0.000 1.033 653 L HN 0.113 nan 8.230 nan 0.000 0.450 654 D N 0.978 121.427 120.400 0.082 0.000 2.317 654 D HA 0.099 4.741 4.640 0.003 0.000 0.252 654 D C -1.719 174.615 176.300 0.057 0.000 1.174 654 D CA -2.010 52.024 54.000 0.058 0.000 0.866 654 D CB 1.864 42.690 40.800 0.042 0.000 1.127 654 D HN -0.116 nan 8.370 nan 0.000 0.467 655 P HA -0.056 nan 4.420 nan 0.000 0.225 655 P C 0.571 177.870 177.300 -0.001 0.000 1.148 655 P CA 1.041 64.169 63.100 0.046 0.000 0.779 655 P CB 0.302 32.032 31.700 0.050 0.000 0.780 656 K N -1.115 119.268 120.400 -0.029 0.000 2.426 656 K HA 0.030 4.352 4.320 0.003 0.000 0.193 656 K C 1.323 177.830 176.600 -0.155 0.000 1.028 656 K CA 0.610 56.849 56.287 -0.080 0.000 1.047 656 K CB 0.244 32.708 32.500 -0.061 0.000 0.821 656 K HN 0.182 nan 8.250 nan 0.000 0.513 657 E N -0.649 119.460 120.200 -0.151 0.000 2.592 657 E HA 0.127 4.479 4.350 0.003 0.000 0.184 657 E C 0.974 177.295 176.600 -0.465 0.000 1.056 657 E CA 0.674 56.875 56.400 -0.331 0.000 1.151 657 E CB 0.080 29.656 29.700 -0.206 0.000 1.435 657 E HN 0.104 nan 8.360 nan 0.000 0.496 658 F N 0.436 120.425 119.950 0.065 0.000 2.784 658 F HA 0.253 4.782 4.527 0.003 0.000 0.323 658 F C 1.002 176.881 175.800 0.131 0.000 1.085 658 F CA -0.389 57.702 58.000 0.151 0.000 1.196 658 F CB 0.506 39.655 39.000 0.247 0.000 1.053 658 F HN -0.109 nan 8.300 nan 0.000 0.578 659 N N 1.874 120.714 118.700 0.234 0.000 3.178 659 N HA 0.041 4.783 4.740 0.003 0.000 0.300 659 N C 0.011 175.624 175.510 0.171 0.000 1.242 659 N CA 0.212 53.371 53.050 0.182 0.000 1.192 659 N CB -0.222 38.339 38.487 0.123 0.000 1.463 659 N HN 0.191 nan 8.380 nan 0.000 0.539 660 T N -2.250 112.431 114.554 0.211 0.000 2.849 660 T HA 0.169 4.521 4.350 0.003 0.000 0.276 660 T C 1.451 176.315 174.700 0.273 0.000 0.971 660 T CA -0.701 61.530 62.100 0.218 0.000 0.949 660 T CB 0.414 69.420 68.868 0.230 0.000 1.093 660 T HN 0.126 nan 8.240 nan 0.000 0.545 661 F N 1.188 121.206 119.950 0.114 0.000 2.085 661 F HA -0.069 4.460 4.527 0.003 0.000 0.299 661 F C 0.775 176.701 175.800 0.210 0.000 1.096 661 F CA 1.462 59.530 58.000 0.112 0.000 1.227 661 F CB -0.315 38.664 39.000 -0.036 0.000 0.983 661 F HN 0.283 nan 8.300 nan 0.000 0.482 662 V N 2.442 122.448 119.914 0.152 0.000 2.326 662 V HA 0.297 4.419 4.120 0.003 0.000 0.281 662 V C -2.222 173.977 176.094 0.175 0.000 1.015 662 V CA -1.904 60.400 62.300 0.006 0.000 0.823 662 V CB 1.092 32.864 31.823 -0.085 0.000 1.009 662 V HN -0.063 nan 8.190 nan 0.000 0.436 663 P HA 0.281 nan 4.420 nan 0.000 0.272 663 P C 0.161 177.741 177.300 0.466 0.000 1.230 663 P CA -0.182 63.122 63.100 0.340 0.000 0.788 663 P CB 0.329 32.232 31.700 0.339 0.000 0.949 664 L N -1.980 119.514 121.223 0.451 0.000 3.632 664 L HA -0.197 4.145 4.340 0.003 0.000 0.510 664 L C 0.883 178.198 176.870 0.742 0.000 1.299 664 L CA 0.184 55.313 54.840 0.482 0.000 0.829 664 L CB -2.417 39.696 42.059 0.090 0.000 1.559 664 L HN 0.576 nan 8.230 nan 0.000 0.857 665 G N -0.370 108.897 108.800 0.778 0.000 2.621 665 G HA2 0.285 4.247 3.960 0.003 0.000 0.271 665 G HA3 0.285 4.247 3.960 0.003 0.000 0.271 665 G C 0.929 176.285 174.900 0.759 0.000 1.236 665 G CA 0.359 45.876 45.100 0.695 0.000 0.958 665 G HN 0.346 nan 8.290 nan 0.000 0.512 666 T N -1.437 113.496 114.554 0.631 0.000 3.215 666 T HA 0.438 4.790 4.350 0.003 0.000 0.254 666 T C 0.478 175.512 174.700 0.557 0.000 1.149 666 T CA 1.119 63.570 62.100 0.585 0.000 1.042 666 T CB -0.751 68.477 68.868 0.600 0.000 0.966 666 T HN 1.284 nan 8.240 nan 0.000 0.534 667 A N 0.101 123.302 122.820 0.635 0.000 2.547 667 A HA 0.731 5.053 4.320 0.003 0.000 0.298 667 A C -0.195 177.601 177.584 0.354 0.000 1.062 667 A CA -0.436 51.925 52.037 0.541 0.000 0.748 667 A CB 0.501 19.801 19.000 0.499 0.000 1.288 667 A HN 0.507 nan 8.150 nan 0.000 0.396 668 A N 1.271 123.996 122.820 -0.157 0.000 2.466 668 A HA 0.502 4.824 4.320 0.003 0.000 0.238 668 A C 1.161 178.443 177.584 -0.504 0.000 1.074 668 A CA 0.018 51.540 52.037 -0.858 0.000 0.774 668 A CB -0.164 18.204 19.000 -1.053 0.000 1.015 668 A HN 1.262 nan 8.150 nan 0.000 0.498 669 L N 0.973 121.776 121.223 -0.699 0.000 2.187 669 L HA -0.172 4.170 4.340 0.003 0.000 0.213 669 L C 2.547 179.095 176.870 -0.538 0.000 1.100 669 L CA 1.889 56.153 54.840 -0.960 0.000 0.765 669 L CB -0.794 40.880 42.059 -0.641 0.000 0.904 669 L HN 0.989 nan 8.230 nan 0.000 0.437 670 T N -4.152 110.205 114.554 -0.328 0.000 3.113 670 T HA -0.035 4.317 4.350 0.003 0.000 0.256 670 T C 0.988 175.675 174.700 -0.022 0.000 1.131 670 T CA -0.272 61.739 62.100 -0.149 0.000 1.074 670 T CB -0.413 68.375 68.868 -0.134 0.000 0.944 670 T HN 0.154 nan 8.240 nan 0.000 0.516 671 N N 3.214 121.923 118.700 0.015 0.000 2.454 671 N HA 0.056 4.798 4.740 0.003 0.000 0.260 671 N C -1.373 174.280 175.510 0.239 0.000 1.218 671 N CA -1.427 51.727 53.050 0.174 0.000 0.904 671 N CB 1.602 40.240 38.487 0.251 0.000 1.065 671 N HN 0.096 nan 8.380 nan 0.000 0.462 672 P HA -0.088 nan 4.420 nan 0.000 0.223 672 P C 0.210 177.600 177.300 0.150 0.000 1.144 672 P CA 0.960 64.216 63.100 0.260 0.000 0.783 672 P CB 0.253 32.203 31.700 0.416 0.000 0.771 673 A N -1.381 121.545 122.820 0.176 0.000 2.465 673 A HA 0.230 4.552 4.320 0.003 0.000 0.255 673 A C 0.413 178.094 177.584 0.162 0.000 1.274 673 A CA -0.678 51.399 52.037 0.067 0.000 0.920 673 A CB -1.061 17.945 19.000 0.011 0.000 1.033 673 A HN 0.098 nan 8.150 nan 0.000 0.516 674 F N 1.107 121.114 119.950 0.096 0.000 2.602 674 F HA 0.397 4.927 4.527 0.004 0.000 0.367 674 F C 0.626 176.475 175.800 0.083 0.000 1.126 674 F CA 0.848 58.908 58.000 0.100 0.000 1.321 674 F CB 0.553 39.596 39.000 0.072 0.000 1.094 674 F HN 0.124 nan 8.300 nan 0.000 0.594 675 G N 4.306 112.501 108.800 -1.008 0.000 2.668 675 G HA2 0.504 4.466 3.960 0.003 0.000 0.284 675 G HA3 0.504 4.466 3.960 0.003 0.000 0.284 675 G C -0.052 174.299 174.900 -0.916 0.000 1.456 675 G CA -0.239 44.427 45.100 -0.724 0.000 1.214 675 G HN 1.070 nan 8.290 nan 0.000 0.568 676 A N 1.559 123.945 122.820 -0.723 0.000 2.076 676 A HA 0.023 4.345 4.320 0.003 0.000 0.220 676 A C 1.412 178.909 177.584 -0.145 0.000 1.160 676 A CA 1.729 53.586 52.037 -0.300 0.000 0.653 676 A CB 0.067 19.070 19.000 0.005 0.000 0.801 676 A HN 0.485 nan 8.150 nan 0.000 0.455 677 D N -0.590 119.729 120.400 -0.133 0.000 2.440 677 D HA 0.180 4.822 4.640 0.003 0.000 0.216 677 D C -0.262 176.040 176.300 0.002 0.000 1.150 677 D CA -0.113 53.855 54.000 -0.053 0.000 0.832 677 D CB 0.308 41.088 40.800 -0.034 0.000 0.992 677 D HN 0.214 nan 8.370 nan 0.000 0.502 678 I N 1.777 122.328 120.570 -0.031 0.000 2.352 678 I HA 0.001 4.173 4.170 0.003 0.000 0.290 678 I C 1.504 177.716 176.117 0.160 0.000 1.036 678 I CA -0.533 60.807 61.300 0.067 0.000 1.336 678 I CB 0.284 38.299 38.000 0.025 0.000 1.407 678 I HN -0.090 nan 8.210 nan 0.000 0.497 679 Y N 5.329 125.612 120.300 -0.028 0.000 2.062 679 Y HA -0.230 4.322 4.550 0.004 0.000 0.276 679 Y C 1.542 177.333 175.900 -0.182 0.000 1.189 679 Y CA 2.207 60.245 58.100 -0.103 0.000 1.130 679 Y CB -0.263 38.135 38.460 -0.104 0.000 0.959 679 Y HN 0.597 nan 8.280 nan 0.000 0.499 680 W N -1.172 120.388 121.300 0.434 0.000 2.966 680 W HA 0.330 4.992 4.660 0.003 0.000 0.406 680 W C 0.673 177.359 176.519 0.277 0.000 1.027 680 W CA -0.134 57.404 57.345 0.321 0.000 1.930 680 W CB 0.402 29.997 29.460 0.227 0.000 1.144 680 W HN -0.323 nan 8.180 nan 0.000 0.626 681 R N 0.116 120.832 120.500 0.360 0.000 2.698 681 R HA 0.368 4.710 4.340 0.003 0.000 0.422 681 R C 0.832 177.222 176.300 0.150 0.000 1.073 681 R CA 0.385 56.655 56.100 0.284 0.000 1.054 681 R CB 0.753 31.181 30.300 0.214 0.000 1.373 681 R HN 0.236 nan 8.270 nan 0.000 0.593 682 G N 0.346 109.283 108.800 0.229 0.000 4.003 682 G HA2 -0.132 3.830 3.960 0.003 0.000 0.204 682 G HA3 -0.132 3.830 3.960 0.003 0.000 0.204 682 G C -0.162 174.896 174.900 0.263 0.000 1.077 682 G CA -0.770 44.449 45.100 0.199 0.000 0.872 682 G HN -0.005 nan 8.290 nan 0.000 0.350 683 R N 0.945 121.532 120.500 0.145 0.000 2.698 683 R HA 0.394 4.736 4.340 0.003 0.000 0.266 683 R C 0.028 176.469 176.300 0.235 0.000 1.026 683 R CA 0.000 56.144 56.100 0.073 0.000 1.102 683 R CB 0.537 30.725 30.300 -0.187 0.000 0.978 683 R HN 0.191 nan 8.270 nan 0.000 0.436 684 V N 3.674 123.703 119.914 0.192 0.000 2.383 684 V HA 0.228 4.350 4.120 0.003 0.000 0.275 684 V C -0.381 175.863 176.094 0.250 0.000 1.036 684 V CA -0.570 61.944 62.300 0.357 0.000 0.889 684 V CB 0.749 32.793 31.823 0.369 0.000 0.985 684 V HN 0.559 nan 8.190 nan 0.000 0.459 685 W N 2.874 124.319 121.300 0.242 0.000 2.570 685 W HA 0.538 5.199 4.660 0.003 0.000 0.337 685 W C 1.023 177.744 176.519 0.336 0.000 1.067 685 W CA -0.696 56.799 57.345 0.250 0.000 1.229 685 W CB 1.367 31.022 29.460 0.325 0.000 1.355 685 W HN 0.323 nan 8.180 nan 0.000 0.555 686 V N 1.641 121.878 119.914 0.538 0.000 2.626 686 V HA -0.263 3.859 4.120 0.003 0.000 0.252 686 V C 1.954 178.117 176.094 0.114 0.000 1.067 686 V CA 2.215 64.738 62.300 0.371 0.000 1.081 686 V CB -0.742 31.322 31.823 0.401 0.000 0.686 686 V HN 0.694 nan 8.190 nan 0.000 0.468 687 D N -0.198 120.147 120.400 -0.093 0.000 2.097 687 D HA -0.217 4.425 4.640 0.003 0.000 0.197 687 D C 1.966 177.680 176.300 -0.977 0.000 0.984 687 D CA 1.121 54.389 54.000 -1.220 0.000 0.826 687 D CB -0.463 39.529 40.800 -1.348 0.000 0.973 687 D HN 0.339 nan 8.370 nan 0.000 0.460 688 Q N -0.475 119.243 119.800 -0.136 0.000 2.170 688 Q HA -0.079 4.263 4.340 0.003 0.000 0.203 688 Q C 2.111 178.348 176.000 0.394 0.000 0.976 688 Q CA 0.559 56.540 55.803 0.297 0.000 0.858 688 Q CB -0.647 28.433 28.738 0.570 0.000 0.907 688 Q HN 0.421 nan 8.270 nan 0.000 0.433 689 F N -0.328 119.709 119.950 0.146 0.000 2.075 689 F HA -0.213 4.316 4.527 0.003 0.000 0.297 689 F C 2.092 177.838 175.800 -0.090 0.000 1.113 689 F CA 1.429 59.447 58.000 0.029 0.000 1.218 689 F CB -0.521 38.471 39.000 -0.013 0.000 0.984 689 F HN 0.134 nan 8.300 nan 0.000 0.472 690 W N 0.171 121.290 121.300 -0.301 0.000 2.358 690 W HA -0.220 4.442 4.660 0.004 0.000 0.303 690 W C 1.963 178.342 176.519 -0.234 0.000 1.208 690 W CA 1.939 59.086 57.345 -0.330 0.000 1.274 690 W CB -0.689 28.685 29.460 -0.143 0.000 1.138 690 W HN 0.046 nan 8.180 nan 0.000 0.515 691 F N 0.650 120.471 119.950 -0.214 0.000 2.161 691 F HA -0.073 4.456 4.527 0.003 0.000 0.300 691 F C 2.571 178.172 175.800 -0.331 0.000 1.089 691 F CA 1.380 59.056 58.000 -0.540 0.000 1.282 691 F CB -1.609 37.117 39.000 -0.458 0.000 1.010 691 F HN 0.006 nan 8.300 nan 0.000 0.485 692 G N -0.106 108.534 108.800 -0.267 0.000 2.421 692 G HA2 -0.192 3.770 3.960 0.003 0.000 0.216 692 G HA3 -0.192 3.770 3.960 0.003 0.000 0.216 692 G C 1.684 176.181 174.900 -0.673 0.000 1.171 692 G CA 0.627 45.216 45.100 -0.851 0.000 0.775 692 G HN 0.210 nan 8.290 nan 0.000 0.543 693 L N 0.618 121.366 121.223 -0.793 0.000 2.046 693 L HA 0.019 4.361 4.340 0.003 0.000 0.208 693 L C 2.794 179.358 176.870 -0.510 0.000 1.077 693 L CA 1.361 55.690 54.840 -0.852 0.000 0.747 693 L CB -0.375 40.863 42.059 -1.368 0.000 0.896 693 L HN 0.049 nan 8.230 nan 0.000 0.432 694 K N -0.499 119.654 120.400 -0.412 0.000 2.057 694 K HA -0.035 4.287 4.320 0.003 0.000 0.207 694 K C 2.113 178.735 176.600 0.038 0.000 1.049 694 K CA 1.331 57.546 56.287 -0.121 0.000 0.931 694 K CB -0.976 31.368 32.500 -0.260 0.000 0.714 694 K HN 0.419 nan 8.250 nan 0.000 0.440 695 G N 1.285 110.122 108.800 0.061 0.000 2.418 695 G HA2 -0.262 3.700 3.960 0.003 0.000 0.217 695 G HA3 -0.262 3.700 3.960 0.003 0.000 0.217 695 G C 1.646 176.649 174.900 0.171 0.000 1.158 695 G CA 0.758 45.955 45.100 0.160 0.000 0.771 695 G HN 0.189 nan 8.290 nan 0.000 0.545 696 M N 0.072 119.673 119.600 0.002 0.000 2.067 696 M HA -0.051 4.431 4.480 0.003 0.000 0.260 696 M C 2.526 178.946 176.300 0.201 0.000 1.069 696 M CA 2.081 57.410 55.300 0.049 0.000 1.117 696 M CB -0.190 32.323 32.600 -0.145 0.000 1.334 696 M HN 0.425 nan 8.290 nan 0.000 0.407 697 E N 0.023 120.287 120.200 0.106 0.000 2.085 697 E HA -0.297 4.055 4.350 0.003 0.000 0.194 697 E C 2.097 178.749 176.600 0.087 0.000 0.994 697 E CA 1.429 57.909 56.400 0.134 0.000 0.801 697 E CB -0.242 29.582 29.700 0.208 0.000 0.743 697 E HN 0.435 nan 8.360 nan 0.000 0.453 698 R N -0.595 119.944 120.500 0.065 0.000 2.127 698 R HA -0.168 4.174 4.340 0.003 0.000 0.238 698 R C 0.799 176.928 176.300 -0.285 0.000 1.134 698 R CA 1.445 57.484 56.100 -0.101 0.000 0.975 698 R CB -0.142 30.079 30.300 -0.132 0.000 0.865 698 R HN 0.295 nan 8.270 nan 0.000 0.447 699 Y N -0.715 119.621 120.300 0.060 0.000 2.683 699 Y HA 0.268 4.820 4.550 0.003 0.000 0.297 699 Y C 1.185 177.066 175.900 -0.032 0.000 1.147 699 Y CA 0.386 58.524 58.100 0.063 0.000 1.274 699 Y CB 1.026 39.572 38.460 0.144 0.000 1.143 699 Y HN 0.363 nan 8.280 nan 0.000 0.527 700 G N -0.951 107.826 108.800 -0.039 0.000 2.175 700 G HA2 -0.338 3.624 3.960 0.003 0.000 0.244 700 G HA3 -0.338 3.624 3.960 0.003 0.000 0.244 700 G C -0.025 174.679 174.900 -0.326 0.000 0.982 700 G CA -0.223 44.747 45.100 -0.217 0.000 0.641 700 G HN 0.442 nan 8.290 nan 0.000 0.527 701 Y N 0.311 120.632 120.300 0.036 0.000 2.867 701 Y HA 0.432 4.984 4.550 0.003 0.000 0.351 701 Y C 1.915 177.817 175.900 0.003 0.000 1.046 701 Y CA 0.053 58.161 58.100 0.014 0.000 1.520 701 Y CB 0.222 38.682 38.460 -0.001 0.000 1.337 701 Y HN 0.277 nan 8.280 nan 0.000 0.525 702 R N 0.442 121.005 120.500 0.106 0.000 2.096 702 R HA -0.153 4.189 4.340 0.003 0.000 0.235 702 R C 1.162 177.524 176.300 0.104 0.000 1.127 702 R CA 1.951 58.125 56.100 0.123 0.000 0.968 702 R CB 0.093 30.460 30.300 0.111 0.000 0.861 702 R HN 0.342 nan 8.270 nan 0.000 0.440 703 D N 0.644 121.093 120.400 0.081 0.000 2.117 703 D HA -0.169 4.473 4.640 0.003 0.000 0.197 703 D C 1.304 177.644 176.300 0.067 0.000 0.987 703 D CA 1.218 55.261 54.000 0.071 0.000 0.829 703 D CB -0.258 40.577 40.800 0.058 0.000 0.961 703 D HN 0.314 nan 8.370 nan 0.000 0.460 704 D N 0.276 120.726 120.400 0.083 0.000 2.183 704 D HA -0.036 4.606 4.640 0.003 0.000 0.203 704 D C 2.001 178.274 176.300 -0.044 0.000 0.969 704 D CA 0.745 54.770 54.000 0.041 0.000 0.842 704 D CB 0.104 40.943 40.800 0.065 0.000 0.957 704 D HN 0.087 nan 8.370 nan 0.000 0.484 705 A N 0.982 123.749 122.820 -0.087 0.000 1.902 705 A HA -0.116 4.206 4.320 0.003 0.000 0.217 705 A C 2.386 179.816 177.584 -0.258 0.000 1.181 705 A CA 0.780 52.632 52.037 -0.309 0.000 0.623 705 A CB -0.740 18.011 19.000 -0.414 0.000 0.818 705 A HN 0.180 nan 8.150 nan 0.000 0.443 706 L N -0.721 120.483 121.223 -0.031 0.000 2.083 706 L HA -0.216 4.126 4.340 0.003 0.000 0.209 706 L C 2.584 179.499 176.870 0.075 0.000 1.083 706 L CA 1.677 56.571 54.840 0.089 0.000 0.752 706 L CB -0.394 41.745 42.059 0.133 0.000 0.899 706 L HN 0.383 nan 8.230 nan 0.000 0.433 707 K N 0.006 120.431 120.400 0.043 0.000 2.057 707 K HA -0.123 4.199 4.320 0.003 0.000 0.206 707 K C 2.080 178.720 176.600 0.066 0.000 1.050 707 K CA 1.076 57.395 56.287 0.053 0.000 0.935 707 K CB -0.156 32.368 32.500 0.039 0.000 0.715 707 K HN 0.254 nan 8.250 nan 0.000 0.439 708 L N 0.539 121.783 121.223 0.036 0.000 2.141 708 L HA -0.150 4.192 4.340 0.003 0.000 0.209 708 L C 2.578 179.627 176.870 0.298 0.000 1.094 708 L CA 0.866 55.773 54.840 0.113 0.000 0.763 708 L CB -0.585 41.473 42.059 -0.001 0.000 0.908 708 L HN 0.211 nan 8.230 nan 0.000 0.437 709 A N 0.201 123.154 122.820 0.222 0.000 1.902 709 A HA -0.290 4.032 4.320 0.003 0.000 0.217 709 A C 1.963 179.878 177.584 0.552 0.000 1.181 709 A CA 2.120 54.419 52.037 0.437 0.000 0.623 709 A CB -0.611 18.555 19.000 0.277 0.000 0.818 709 A HN 0.452 nan 8.150 nan 0.000 0.443 710 D N -1.096 119.498 120.400 0.323 0.000 2.117 710 D HA -0.117 4.525 4.640 0.003 0.000 0.197 710 D C 1.916 178.292 176.300 0.126 0.000 0.987 710 D CA 2.000 56.137 54.000 0.228 0.000 0.829 710 D CB -0.188 40.682 40.800 0.118 0.000 0.961 710 D HN 0.337 nan 8.370 nan 0.000 0.460 711 T N -0.481 114.096 114.554 0.040 0.000 2.684 711 T HA -0.171 4.181 4.350 0.003 0.000 0.267 711 T C 1.603 176.143 174.700 -0.268 0.000 1.036 711 T CA 1.268 63.231 62.100 -0.229 0.000 1.148 711 T CB -0.681 68.108 68.868 -0.133 0.000 0.863 711 T HN 0.257 nan 8.240 nan 0.000 0.436 712 F N 0.987 120.868 119.950 -0.116 0.000 2.095 712 F HA -0.095 4.434 4.527 0.003 0.000 0.298 712 F C 1.909 177.615 175.800 -0.157 0.000 1.104 712 F CA 1.126 58.995 58.000 -0.217 0.000 1.232 712 F CB -0.490 38.371 39.000 -0.232 0.000 0.987 712 F HN 0.129 nan 8.300 nan 0.000 0.475 713 F N 1.204 121.190 119.950 0.060 0.000 2.216 713 F HA -0.135 4.394 4.527 0.003 0.000 0.300 713 F C 2.343 177.981 175.800 -0.270 0.000 1.085 713 F CA 1.691 59.594 58.000 -0.161 0.000 1.326 713 F CB -0.324 38.531 39.000 -0.241 0.000 1.027 713 F HN -0.124 nan 8.300 nan 0.000 0.497 714 R N -1.806 118.571 120.500 -0.205 0.000 2.173 714 R HA 0.038 4.380 4.340 0.003 0.000 0.208 714 R C 1.518 177.687 176.300 -0.217 0.000 1.035 714 R CA 1.135 57.102 56.100 -0.222 0.000 1.004 714 R CB -0.294 29.902 30.300 -0.173 0.000 0.917 714 R HN 0.474 nan 8.270 nan 0.000 0.462 715 H N -0.566 118.186 119.070 -0.530 0.000 2.729 715 H HA 0.300 4.858 4.556 0.003 0.000 0.263 715 H C 0.243 175.167 175.328 -0.672 0.000 0.961 715 H CA -0.361 55.236 56.048 -0.752 0.000 1.217 715 H CB 0.682 29.616 29.762 -1.380 0.000 1.447 715 H HN 0.054 nan 8.280 nan 0.000 0.496 716 A N 2.788 125.133 122.820 -0.791 0.000 2.476 716 A HA 0.046 4.368 4.320 0.003 0.000 0.275 716 A C 0.124 177.415 177.584 -0.489 0.000 1.133 716 A CA -0.295 51.123 52.037 -1.031 0.000 0.797 716 A CB -0.058 17.816 19.000 -1.876 0.000 1.081 716 A HN 0.134 nan 8.150 nan 0.000 0.510 717 K N 1.678 121.962 120.400 -0.193 0.000 2.489 717 K HA 0.204 4.526 4.320 0.003 0.000 0.278 717 K C 1.384 177.970 176.600 -0.023 0.000 1.000 717 K CA 1.125 57.380 56.287 -0.053 0.000 1.012 717 K CB 0.220 32.738 32.500 0.031 0.000 0.903 717 K HN 1.533 nan 8.250 nan 0.000 0.485 718 G N 1.556 110.322 108.800 -0.057 0.000 2.184 718 G HA2 -0.317 3.645 3.960 0.003 0.000 0.264 718 G HA3 -0.317 3.645 3.960 0.003 0.000 0.264 718 G C 0.840 175.702 174.900 -0.063 0.000 0.975 718 G CA 0.431 45.507 45.100 -0.040 0.000 0.642 718 G HN 0.525 nan 8.290 nan 0.000 0.536 719 L N 1.579 122.715 121.223 -0.145 0.000 2.013 719 L HA 0.003 4.345 4.340 0.003 0.000 0.212 719 L C 2.968 179.740 176.870 -0.163 0.000 1.073 719 L CA 3.517 58.246 54.840 -0.185 0.000 0.753 719 L CB -0.645 41.149 42.059 -0.443 0.000 0.890 719 L HN 0.739 nan 8.230 nan 0.000 0.432 720 T N -3.432 111.001 114.554 -0.203 0.000 3.122 720 T HA 0.517 4.869 4.350 0.003 0.000 0.250 720 T C 0.693 175.376 174.700 -0.028 0.000 1.067 720 T CA 0.118 62.159 62.100 -0.099 0.000 0.966 720 T CB -0.314 68.490 68.868 -0.108 0.000 1.002 720 T HN 0.340 nan 8.240 nan 0.000 0.542 721 A N 2.230 125.033 122.820 -0.028 0.000 2.274 721 A HA 0.553 4.875 4.320 0.003 0.000 0.297 721 A C 0.871 178.469 177.584 0.024 0.000 1.191 721 A CA -0.202 51.836 52.037 0.000 0.000 0.889 721 A CB 0.450 19.447 19.000 -0.005 0.000 1.294 721 A HN 0.425 nan 8.150 nan 0.000 0.506 722 D N -0.603 119.818 120.400 0.034 0.000 2.395 722 D HA 0.241 4.883 4.640 0.003 0.000 0.226 722 D C 0.568 176.901 176.300 0.054 0.000 1.146 722 D CA 0.360 54.391 54.000 0.050 0.000 0.830 722 D CB -0.577 40.257 40.800 0.057 0.000 0.958 722 D HN 0.539 nan 8.370 nan 0.000 0.501 723 G N 1.129 109.953 108.800 0.041 0.000 2.537 723 G HA2 0.456 4.418 3.960 0.003 0.000 0.273 723 G HA3 0.456 4.418 3.960 0.003 0.000 0.273 723 G C -2.380 172.547 174.900 0.046 0.000 1.189 723 G CA -1.177 43.946 45.100 0.039 0.000 0.881 723 G HN 0.054 nan 8.290 nan 0.000 0.535 724 P HA 0.223 nan 4.420 nan 0.000 0.274 724 P C -0.130 177.188 177.300 0.029 0.000 1.231 724 P CA -0.274 62.856 63.100 0.051 0.000 0.790 724 P CB 1.327 33.059 31.700 0.054 0.000 0.951 725 I N 1.928 122.527 120.570 0.049 0.000 2.533 725 I HA 0.020 4.192 4.170 0.003 0.000 0.284 725 I C 1.361 177.475 176.117 -0.004 0.000 1.109 725 I CA 0.365 61.693 61.300 0.047 0.000 1.412 725 I CB 0.070 38.130 38.000 0.100 0.000 1.396 725 I HN 0.308 nan 8.210 nan 0.000 0.543 726 Q N 4.425 124.158 119.800 -0.111 0.000 2.633 726 Q HA 0.295 4.637 4.340 0.003 0.000 0.208 726 Q C 0.475 176.219 176.000 -0.427 0.000 1.010 726 Q CA -0.758 54.886 55.803 -0.265 0.000 0.982 726 Q CB 1.078 29.611 28.738 -0.342 0.000 1.334 726 Q HN 0.522 nan 8.270 nan 0.000 0.508 727 E N 0.012 119.732 120.200 -0.799 0.000 2.102 727 E HA -0.045 4.307 4.350 0.003 0.000 0.190 727 E C -0.162 175.626 176.600 -1.354 0.000 0.971 727 E CA 0.747 56.395 56.400 -1.254 0.000 0.821 727 E CB 0.280 28.974 29.700 -1.677 0.000 0.777 727 E HN 0.487 nan 8.360 nan 0.000 0.460 728 N N -1.367 116.516 118.700 -1.362 0.000 3.039 728 N HA 0.256 4.998 4.740 0.003 0.000 0.257 728 N C -1.627 173.259 175.510 -1.040 0.000 1.497 728 N CA -0.752 51.518 53.050 -1.300 0.000 0.861 728 N CB 0.591 37.947 38.487 -1.884 0.000 1.479 728 N HN -0.148 nan 8.380 nan 0.000 0.547 729 Y N -1.383 118.684 120.300 -0.387 0.000 2.524 729 Y HA 0.450 5.002 4.550 0.004 0.000 0.347 729 Y C -0.168 175.658 175.900 -0.123 0.000 1.005 729 Y CA -1.095 56.880 58.100 -0.207 0.000 1.025 729 Y CB 1.625 40.014 38.460 -0.117 0.000 1.275 729 Y HN 0.580 nan 8.280 nan 0.000 0.460 730 N N 4.653 123.411 118.700 0.096 0.000 2.452 730 N HA 0.059 4.801 4.740 0.003 0.000 0.266 730 N C -1.808 173.807 175.510 0.175 0.000 1.175 730 N CA -1.496 51.607 53.050 0.088 0.000 0.945 730 N CB 1.335 39.855 38.487 0.056 0.000 1.063 730 N HN 0.385 nan 8.380 nan 0.000 0.472 731 P HA -0.104 nan 4.420 nan 0.000 0.220 731 P C 1.224 178.693 177.300 0.281 0.000 1.148 731 P CA 1.064 64.330 63.100 0.277 0.000 0.803 731 P CB 0.445 32.360 31.700 0.358 0.000 0.782 732 L N -0.623 120.735 121.223 0.226 0.000 2.354 732 L HA 0.062 4.404 4.340 0.003 0.000 0.212 732 L C 2.381 179.257 176.870 0.010 0.000 1.091 732 L CA 1.783 56.709 54.840 0.142 0.000 0.828 732 L CB -0.957 41.165 42.059 0.105 0.000 0.973 732 L HN 0.112 nan 8.230 nan 0.000 0.461 733 T N -5.360 109.232 114.554 0.062 0.000 2.959 733 T HA 0.278 4.630 4.350 0.003 0.000 0.254 733 T C 1.459 176.270 174.700 0.184 0.000 1.003 733 T CA 0.568 62.647 62.100 -0.034 0.000 0.950 733 T CB 1.006 69.846 68.868 -0.047 0.000 1.090 733 T HN 0.318 nan 8.240 nan 0.000 0.503 734 G N 1.808 110.767 108.800 0.265 0.000 2.179 734 G HA2 -0.072 3.890 3.960 0.003 0.000 0.260 734 G HA3 -0.072 3.890 3.960 0.003 0.000 0.260 734 G C 0.386 175.392 174.900 0.176 0.000 0.977 734 G CA 0.009 45.221 45.100 0.187 0.000 0.641 734 G HN 1.302 nan 8.290 nan 0.000 0.533 735 A N 0.092 122.985 122.820 0.121 0.000 2.511 735 A HA 0.556 4.878 4.320 0.003 0.000 0.242 735 A C 0.666 178.268 177.584 0.031 0.000 1.069 735 A CA 0.518 52.592 52.037 0.061 0.000 0.763 735 A CB 0.253 19.259 19.000 0.010 0.000 1.001 735 A HN 0.564 nan 8.150 nan 0.000 0.498 736 Q N 0.852 120.629 119.800 -0.039 0.000 2.260 736 Q HA 0.477 4.819 4.340 0.003 0.000 0.242 736 Q C -0.526 175.324 176.000 -0.251 0.000 0.932 736 Q CA -0.088 55.572 55.803 -0.239 0.000 0.891 736 Q CB 1.221 29.821 28.738 -0.230 0.000 1.222 736 Q HN 0.821 nan 8.270 nan 0.000 0.453 737 Q N -0.514 119.047 119.800 -0.397 0.000 2.534 737 Q HA 0.629 4.971 4.340 0.003 0.000 0.290 737 Q C -0.907 174.827 176.000 -0.444 0.000 0.991 737 Q CA -0.509 55.104 55.803 -0.317 0.000 0.783 737 Q CB 2.587 31.166 28.738 -0.264 0.000 1.470 737 Q HN 0.892 nan 8.270 nan 0.000 0.406 738 G N 0.148 108.794 108.800 -0.257 0.000 2.541 738 G HA2 0.205 4.167 3.960 0.003 0.000 0.686 738 G HA3 0.205 4.167 3.960 0.003 0.000 0.686 738 G C -0.986 173.733 174.900 -0.303 0.000 1.286 738 G CA -0.565 44.346 45.100 -0.314 0.000 0.894 738 G HN 0.797 nan 8.290 nan 0.000 0.575 739 A N 1.722 124.277 122.820 -0.442 0.000 2.511 739 A HA 0.623 4.945 4.320 0.003 0.000 0.242 739 A C -1.146 176.238 177.584 -0.333 0.000 1.069 739 A CA 0.113 51.720 52.037 -0.715 0.000 0.763 739 A CB -0.126 18.512 19.000 -0.603 0.000 1.001 739 A HN 0.785 nan 8.150 nan 0.000 0.498 740 P HA 0.157 nan 4.420 nan 0.000 0.275 740 P C -0.527 176.769 177.300 -0.007 0.000 1.228 740 P CA -0.178 62.874 63.100 -0.080 0.000 0.786 740 P CB 0.246 31.927 31.700 -0.033 0.000 0.927 741 N N -1.379 117.345 118.700 0.040 0.000 2.758 741 N HA -0.233 4.509 4.740 0.003 0.000 0.248 741 N C -0.811 174.747 175.510 0.081 0.000 1.076 741 N CA 0.068 53.158 53.050 0.066 0.000 0.696 741 N CB -2.074 36.453 38.487 0.068 0.000 0.979 741 N HN 0.385 nan 8.380 nan 0.000 0.550 742 F N 1.070 120.956 119.950 -0.106 0.000 2.444 742 F HA 0.311 4.840 4.527 0.003 0.000 0.360 742 F C 1.559 177.297 175.800 -0.104 0.000 1.106 742 F CA -0.276 57.623 58.000 -0.168 0.000 1.170 742 F CB 0.747 39.585 39.000 -0.270 0.000 1.113 742 F HN 0.051 nan 8.300 nan 0.000 0.521 743 S N 5.063 120.442 115.700 -0.535 0.000 2.359 743 S HA -0.267 4.205 4.470 0.003 0.000 0.223 743 S C 1.678 176.110 174.600 -0.280 0.000 1.039 743 S CA 2.044 60.027 58.200 -0.363 0.000 1.042 743 S CB -0.667 62.345 63.200 -0.314 0.000 0.915 743 S HN 0.923 nan 8.310 nan 0.000 0.439 744 W N 2.357 123.222 121.300 -0.725 0.000 2.465 744 W HA 0.148 4.809 4.660 0.003 0.000 0.268 744 W C 1.824 178.352 176.519 0.015 0.000 1.242 744 W CA 0.452 57.611 57.345 -0.309 0.000 1.248 744 W CB -1.141 28.157 29.460 -0.270 0.000 1.118 744 W HN 0.102 nan 8.180 nan 0.000 0.587 745 S N 1.108 116.992 115.700 0.307 0.000 2.355 745 S HA -0.052 4.420 4.470 0.003 0.000 0.222 745 S C 2.257 177.037 174.600 0.301 0.000 1.031 745 S CA 1.831 60.288 58.200 0.429 0.000 0.993 745 S CB -0.921 62.490 63.200 0.352 0.000 0.859 745 S HN 0.433 nan 8.310 nan 0.000 0.453 746 A N 1.680 124.608 122.820 0.179 0.000 1.908 746 A HA 0.006 4.328 4.320 0.003 0.000 0.218 746 A C 2.337 180.017 177.584 0.159 0.000 1.181 746 A CA 1.872 54.002 52.037 0.155 0.000 0.627 746 A CB -1.147 17.906 19.000 0.087 0.000 0.818 746 A HN 0.520 nan 8.150 nan 0.000 0.445 747 A N -1.138 121.737 122.820 0.092 0.000 1.883 747 A HA -0.218 4.104 4.320 0.003 0.000 0.217 747 A C 2.061 179.570 177.584 -0.126 0.000 1.186 747 A CA 1.640 53.669 52.037 -0.013 0.000 0.624 747 A CB -0.940 17.970 19.000 -0.150 0.000 0.822 747 A HN 0.684 nan 8.150 nan 0.000 0.444 748 H N -0.769 118.298 119.070 -0.005 0.000 2.502 748 H HA 0.106 4.664 4.556 0.003 0.000 0.283 748 H C 1.999 177.305 175.328 -0.037 0.000 1.015 748 H CA 1.064 56.998 56.048 -0.190 0.000 1.298 748 H CB -0.080 29.586 29.762 -0.159 0.000 1.411 748 H HN 0.391 nan 8.280 nan 0.000 0.556 749 L N -0.196 121.167 121.223 0.233 0.000 2.109 749 L HA -0.202 4.140 4.340 0.003 0.000 0.207 749 L C 2.498 179.535 176.870 0.278 0.000 1.086 749 L CA 0.959 55.990 54.840 0.319 0.000 0.760 749 L CB -0.444 41.844 42.059 0.381 0.000 0.910 749 L HN 0.195 nan 8.230 nan 0.000 0.437 750 Y N 0.500 120.879 120.300 0.131 0.000 2.200 750 Y HA -0.260 4.292 4.550 0.004 0.000 0.290 750 Y C 2.550 178.528 175.900 0.130 0.000 1.137 750 Y CA 1.559 59.738 58.100 0.132 0.000 1.163 750 Y CB -0.173 38.339 38.460 0.086 0.000 0.988 750 Y HN 0.035 nan 8.280 nan 0.000 0.518 751 M N -0.489 119.050 119.600 -0.102 0.000 2.108 751 M HA -0.253 4.229 4.480 0.003 0.000 0.261 751 M C 2.153 178.404 176.300 -0.082 0.000 1.066 751 M CA 1.793 56.969 55.300 -0.207 0.000 1.107 751 M CB -0.493 31.722 32.600 -0.643 0.000 1.356 751 M HN 0.316 nan 8.290 nan 0.000 0.406 752 L N -1.313 119.872 121.223 -0.063 0.000 2.046 752 L HA -0.239 4.103 4.340 0.003 0.000 0.208 752 L C 2.608 179.210 176.870 -0.446 0.000 1.077 752 L CA 1.458 56.168 54.840 -0.217 0.000 0.747 752 L CB -0.878 40.846 42.059 -0.559 0.000 0.896 752 L HN 0.295 nan 8.230 nan 0.000 0.432 753 Y N 0.828 120.977 120.300 -0.251 0.000 2.165 753 Y HA -0.307 4.245 4.550 0.003 0.000 0.286 753 Y C 2.541 178.350 175.900 -0.152 0.000 1.155 753 Y CA 2.047 60.174 58.100 0.045 0.000 1.164 753 Y CB -0.425 38.076 38.460 0.069 0.000 0.978 753 Y HN 0.214 nan 8.280 nan 0.000 0.513 754 N N -0.138 118.302 118.700 -0.434 0.000 2.171 754 N HA -0.171 4.571 4.740 0.003 0.000 0.184 754 N C 0.861 176.137 175.510 -0.389 0.000 1.021 754 N CA 1.839 54.588 53.050 -0.501 0.000 0.854 754 N CB -0.112 38.087 38.487 -0.480 0.000 0.994 754 N HN 0.495 nan 8.380 nan 0.000 0.426 755 D N -1.219 118.968 120.400 -0.356 0.000 2.323 755 D HA 0.049 4.691 4.640 0.003 0.000 0.218 755 D C 0.888 176.681 176.300 -0.845 0.000 0.973 755 D CA 0.671 54.311 54.000 -0.601 0.000 0.890 755 D CB -0.071 40.283 40.800 -0.744 0.000 1.011 755 D HN 0.305 nan 8.370 nan 0.000 0.499 756 F N -0.711 119.156 119.950 -0.140 0.000 2.784 756 F HA 0.226 4.755 4.527 0.003 0.000 0.316 756 F C 0.389 176.175 175.800 -0.023 0.000 1.026 756 F CA -0.604 57.328 58.000 -0.112 0.000 1.188 756 F CB 0.147 39.069 39.000 -0.130 0.000 0.999 756 F HN -0.287 nan 8.300 nan 0.000 0.605 757 F N 3.943 123.964 119.950 0.118 0.000 2.471 757 F HA 0.460 4.989 4.527 0.003 0.000 0.353 757 F C 0.722 176.463 175.800 -0.098 0.000 1.113 757 F CA -0.945 57.054 58.000 -0.001 0.000 1.262 757 F CB 0.249 39.232 39.000 -0.028 0.000 1.146 757 F HN -0.015 nan 8.300 nan 0.000 0.578 758 R N 1.504 122.061 120.500 0.095 0.000 2.728 758 R HA 0.332 4.674 4.340 0.003 0.000 0.274 758 R C -1.107 175.169 176.300 -0.040 0.000 1.032 758 R CA -1.139 54.962 56.100 0.002 0.000 0.866 758 R CB 1.539 31.847 30.300 0.013 0.000 1.263 758 R HN 0.570 nan 8.270 nan 0.000 0.475 759 K N 0.000 120.380 120.400 -0.034 0.000 2.780 759 K HA 0.000 4.322 4.320 0.003 0.000 0.191 759 K CA 0.000 56.269 56.287 -0.030 0.000 0.838 759 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 759 K HN 0.000 nan 8.250 nan 0.000 0.543