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 2e5c_1_A DATA FIRST_RESID 8 DATA SEQUENCE EFNILLATDS YKVTHYKQYP PNTSKVYSYF ECREKXXXXX XXXXXKYEET DATA SEQUENCE VFYGLQYILN KYLKGKVVTK EKIQEAKDVY KEHFQDDVFN EKGWNYILEK DATA SEQUENCE YDGHLPIEIK AVPEGFVIPR GNVLFTVENT DPECYWLTNW IETILVQSWY DATA SEQUENCE PITVATNSRE QKKILAKYLL ETSGNLDGLE YKLHDFGYRG VSSQETAGIG DATA SEQUENCE ASAHLVNFKG TDTVAGLALI KKYYGTKDPV PGYSVPAAEH STITAWGKDH DATA SEQUENCE EKDAFEHIVT QFSSVPVSVV SDSYDIYNAC EKIWGEDLRH LIVSRSTQAP DATA SEQUENCE LIIRPDSGNP LDTVLKVLEI LGKKFPVTEN SKGYKLLPPY LRVIQGDGVD DATA SEQUENCE INTLQEIVEG MKQKMWSIEN IAFGSGGGLL QKLTRDLLNC SFKCSYVVTN DATA SEQUENCE GLGINVFKDP VADPNKRSKK GRLSLHRTPA GNFVTLEEGK GDLEEYGQDL DATA SEQUENCE LHTVFKNGKV TKSYSFDEIR KNAQLN 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 8 E HA 0.000 nan 4.350 nan 0.000 0.291 8 E C 0.000 176.661 176.600 0.102 0.000 1.382 8 E CA 0.000 56.445 56.400 0.075 0.000 0.976 8 E CB 0.000 29.728 29.700 0.047 0.000 0.812 9 F N 3.926 123.894 119.950 0.029 0.000 2.529 9 F HA 0.346 4.914 4.527 0.069 0.000 0.365 9 F C -0.212 175.596 175.800 0.012 0.000 1.102 9 F CA 0.151 58.177 58.000 0.043 0.000 1.271 9 F CB 0.578 39.664 39.000 0.145 0.000 1.120 9 F HN 0.331 nan 8.300 nan 0.000 0.579 10 N N 7.171 125.374 118.700 -0.828 0.000 2.524 10 N HA 0.149 4.931 4.740 0.069 0.000 0.261 10 N C 0.655 175.624 175.510 -0.901 0.000 0.998 10 N CA -0.406 52.251 53.050 -0.655 0.000 0.915 10 N CB 0.903 39.152 38.487 -0.397 0.000 1.187 10 N HN 0.930 nan 8.380 nan 0.000 0.507 11 I N 2.797 123.007 120.570 -0.599 0.000 2.454 11 I HA -0.208 4.003 4.170 0.069 0.000 0.254 11 I C 0.879 176.987 176.117 -0.015 0.000 1.156 11 I CA 0.926 62.100 61.300 -0.210 0.000 1.433 11 I CB 0.345 38.448 38.000 0.172 0.000 1.082 11 I HN 0.484 nan 8.210 nan 0.000 0.432 12 L N 0.085 121.164 121.223 -0.240 0.000 2.362 12 L HA -0.083 4.299 4.340 0.069 0.000 0.219 12 L C 1.636 178.637 176.870 0.217 0.000 1.134 12 L CA 1.325 56.103 54.840 -0.103 0.000 0.807 12 L CB -0.346 41.406 42.059 -0.512 0.000 0.927 12 L HN 0.232 nan 8.230 nan 0.000 0.447 13 L N -1.235 119.947 121.223 -0.069 0.000 2.857 13 L HA 0.334 4.715 4.340 0.069 0.000 0.249 13 L C 1.040 177.845 176.870 -0.109 0.000 1.172 13 L CA -0.125 54.647 54.840 -0.112 0.000 0.980 13 L CB 0.073 41.949 42.059 -0.305 0.000 1.299 13 L HN 0.082 nan 8.230 nan 0.000 0.535 14 A N -0.363 122.422 122.820 -0.058 0.000 2.965 14 A HA 0.496 4.857 4.320 0.069 0.000 0.304 14 A C 0.210 177.805 177.584 0.017 0.000 1.214 14 A CA -0.014 52.005 52.037 -0.030 0.000 0.977 14 A CB 0.135 19.134 19.000 -0.002 0.000 1.127 14 A HN 0.131 nan 8.150 nan 0.000 0.572 15 T N -0.737 113.778 114.554 -0.064 0.000 2.883 15 T HA 0.336 4.728 4.350 0.069 0.000 0.296 15 T C -1.303 173.317 174.700 -0.134 0.000 1.117 15 T CA -0.598 61.371 62.100 -0.218 0.000 1.006 15 T CB 1.079 69.489 68.868 -0.763 0.000 1.191 15 T HN 0.315 nan 8.240 nan 0.000 0.508 16 D N 1.973 122.321 120.400 -0.087 0.000 2.455 16 D HA 0.117 4.799 4.640 0.069 0.000 0.241 16 D C 1.137 177.475 176.300 0.062 0.000 1.138 16 D CA 0.219 54.261 54.000 0.070 0.000 0.877 16 D CB 1.421 42.403 40.800 0.303 0.000 1.187 16 D HN 0.493 nan 8.370 nan 0.000 0.451 17 S N 1.950 117.745 115.700 0.158 0.000 2.372 17 S HA -0.269 4.242 4.470 0.069 0.000 0.227 17 S C 1.893 176.694 174.600 0.336 0.000 1.044 17 S CA 1.449 59.796 58.200 0.244 0.000 1.050 17 S CB -0.553 62.814 63.200 0.279 0.000 0.901 17 S HN 0.727 nan 8.310 nan 0.000 0.447 18 Y N 1.372 121.693 120.300 0.035 0.000 2.333 18 Y HA 0.023 4.614 4.550 0.069 0.000 0.290 18 Y C 1.829 177.389 175.900 -0.567 0.000 1.144 18 Y CA 0.833 58.889 58.100 -0.073 0.000 1.228 18 Y CB -0.449 38.020 38.460 0.015 0.000 0.985 18 Y HN 0.083 nan 8.280 nan 0.000 0.542 19 K N 0.765 120.645 120.400 -0.866 0.000 2.280 19 K HA -0.070 4.292 4.320 0.069 0.000 0.202 19 K C 1.813 178.084 176.600 -0.548 0.000 1.047 19 K CA 1.144 56.792 56.287 -1.066 0.000 0.942 19 K CB -0.110 32.000 32.500 -0.650 0.000 0.739 19 K HN 0.270 nan 8.250 nan 0.000 0.457 20 V N 1.338 121.001 119.914 -0.418 0.000 2.720 20 V HA -0.191 3.970 4.120 0.069 0.000 0.256 20 V C 2.216 178.323 176.094 0.022 0.000 1.082 20 V CA 2.189 64.409 62.300 -0.132 0.000 1.101 20 V CB -0.643 31.004 31.823 -0.294 0.000 0.693 20 V HN 0.533 nan 8.190 nan 0.000 0.479 21 T N -4.385 110.076 114.554 -0.155 0.000 3.069 21 T HA 0.061 4.453 4.350 0.069 0.000 0.252 21 T C 1.343 176.031 174.700 -0.019 0.000 1.053 21 T CA 0.199 62.226 62.100 -0.122 0.000 0.964 21 T CB -0.453 68.284 68.868 -0.218 0.000 1.005 21 T HN 0.596 nan 8.240 nan 0.000 0.532 22 H N 0.112 119.199 119.070 0.028 0.000 2.495 22 H HA 0.035 4.632 4.556 0.069 0.000 0.287 22 H C 1.891 177.307 175.328 0.147 0.000 1.033 22 H CA 1.341 57.381 56.048 -0.013 0.000 1.307 22 H CB -0.140 29.619 29.762 -0.005 0.000 1.401 22 H HN 0.708 nan 8.280 nan 0.000 0.555 23 Y N 1.092 121.552 120.300 0.266 0.000 2.403 23 Y HA -0.071 4.520 4.550 0.069 0.000 0.291 23 Y C 1.495 177.554 175.900 0.265 0.000 1.143 23 Y CA 0.627 58.890 58.100 0.272 0.000 1.257 23 Y CB -0.162 38.196 38.460 -0.170 0.000 0.984 23 Y HN -0.115 nan 8.280 nan 0.000 0.550 24 K N 0.206 120.273 120.400 -0.555 0.000 2.444 24 K HA 0.052 4.414 4.320 0.069 0.000 0.193 24 K C 1.335 177.842 176.600 -0.155 0.000 1.024 24 K CA 0.477 56.513 56.287 -0.419 0.000 1.077 24 K CB 0.110 32.265 32.500 -0.574 0.000 0.833 24 K HN 0.557 nan 8.250 nan 0.000 0.517 25 Q N -0.956 118.793 119.800 -0.085 0.000 2.353 25 Q HA 0.097 4.478 4.340 0.069 0.000 0.240 25 Q C -0.283 175.632 176.000 -0.141 0.000 0.868 25 Q CA -0.062 55.654 55.803 -0.146 0.000 0.944 25 Q CB 0.423 29.020 28.738 -0.235 0.000 1.104 25 Q HN 0.167 nan 8.270 nan 0.000 0.531 26 Y N 2.005 122.348 120.300 0.071 0.000 2.426 26 Y HA 0.077 4.668 4.550 0.069 0.000 0.344 26 Y C -1.812 174.070 175.900 -0.031 0.000 1.256 26 Y CA -1.954 56.178 58.100 0.054 0.000 1.451 26 Y CB -0.301 38.265 38.460 0.178 0.000 1.342 26 Y HN 0.014 nan 8.280 nan 0.000 0.600 27 P HA 0.062 nan 4.420 nan 0.000 0.265 27 P C -2.522 174.747 177.300 -0.051 0.000 1.193 27 P CA -0.864 62.242 63.100 0.009 0.000 0.765 27 P CB 0.029 31.726 31.700 -0.005 0.000 0.823 28 P HA -0.045 nan 4.420 nan 0.000 0.267 28 P C 0.091 177.320 177.300 -0.118 0.000 1.201 28 P CA 0.490 63.536 63.100 -0.090 0.000 0.775 28 P CB 0.141 31.808 31.700 -0.055 0.000 0.854 29 N N -1.856 116.755 118.700 -0.148 0.000 2.776 29 N HA -0.122 4.660 4.740 0.069 0.000 0.250 29 N C -0.747 174.660 175.510 -0.172 0.000 1.112 29 N CA 0.988 53.957 53.050 -0.135 0.000 0.733 29 N CB -2.093 36.344 38.487 -0.084 0.000 1.097 29 N HN 0.385 nan 8.380 nan 0.000 0.558 30 T N 0.411 114.795 114.554 -0.283 0.000 2.749 30 T HA 0.320 4.712 4.350 0.069 0.000 0.295 30 T C 1.406 175.927 174.700 -0.298 0.000 0.936 30 T CA 0.146 62.069 62.100 -0.294 0.000 1.060 30 T CB 1.240 69.906 68.868 -0.338 0.000 0.904 30 T HN 0.318 nan 8.240 nan 0.000 0.500 31 S N 2.644 118.260 115.700 -0.139 0.000 2.512 31 S HA 0.297 4.808 4.470 0.069 0.000 0.216 31 S C 0.414 175.019 174.600 0.008 0.000 1.006 31 S CA -0.339 57.833 58.200 -0.048 0.000 0.915 31 S CB 0.273 63.454 63.200 -0.030 0.000 0.824 31 S HN 0.543 nan 8.310 nan 0.000 0.497 32 K N 0.782 121.174 120.400 -0.014 0.000 2.535 32 K HA 0.612 4.973 4.320 0.069 0.000 0.251 32 K C -2.110 174.501 176.600 0.018 0.000 0.942 32 K CA -0.533 55.773 56.287 0.032 0.000 0.798 32 K CB 2.432 34.973 32.500 0.067 0.000 1.267 32 K HN 0.054 nan 8.250 nan 0.000 0.434 33 V N 4.486 124.434 119.914 0.056 0.000 2.487 33 V HA 0.392 4.554 4.120 0.069 0.000 0.298 33 V C -1.367 174.853 176.094 0.210 0.000 1.028 33 V CA -0.793 61.553 62.300 0.076 0.000 0.860 33 V CB 1.367 33.157 31.823 -0.054 0.000 0.991 33 V HN 0.738 nan 8.190 nan 0.000 0.427 34 Y N 3.624 124.007 120.300 0.138 0.000 2.338 34 Y HA 0.723 5.315 4.550 0.069 0.000 0.333 34 Y C -0.033 175.953 175.900 0.144 0.000 0.968 34 Y CA -0.042 58.162 58.100 0.173 0.000 1.123 34 Y CB 1.909 40.538 38.460 0.282 0.000 1.165 34 Y HN 0.649 nan 8.280 nan 0.000 0.452 35 S N 5.088 120.634 115.700 -0.257 0.000 2.632 35 S HA 0.631 5.142 4.470 0.069 0.000 0.289 35 S C -1.757 172.522 174.600 -0.535 0.000 1.115 35 S CA -0.728 57.276 58.200 -0.326 0.000 0.889 35 S CB 1.754 64.716 63.200 -0.398 0.000 1.116 35 S HN 0.685 nan 8.310 nan 0.000 0.486 36 Y N -0.480 119.370 120.300 -0.751 0.000 2.588 36 Y HA 0.816 5.407 4.550 0.069 0.000 0.343 36 Y C -1.766 173.747 175.900 -0.645 0.000 1.065 36 Y CA -1.528 56.208 58.100 -0.607 0.000 1.038 36 Y CB 0.943 39.201 38.460 -0.337 0.000 1.297 36 Y HN 0.580 nan 8.280 nan 0.000 0.467 37 F N 3.122 122.581 119.950 -0.817 0.000 2.482 37 F HA 0.609 5.176 4.527 0.068 0.000 0.331 37 F C -0.758 174.813 175.800 -0.382 0.000 1.115 37 F CA -0.316 57.233 58.000 -0.753 0.000 0.955 37 F CB 1.359 39.602 39.000 -1.262 0.000 1.136 37 F HN 0.794 nan 8.300 nan 0.000 0.452 38 E N 3.718 123.473 120.200 -0.742 0.000 2.408 38 E HA 0.478 4.869 4.350 0.069 0.000 0.275 38 E C -1.838 174.453 176.600 -0.516 0.000 0.935 38 E CA -1.137 55.047 56.400 -0.359 0.000 0.775 38 E CB 1.515 31.197 29.700 -0.030 0.000 1.277 38 E HN 0.520 nan 8.360 nan 0.000 0.455 39 C N 2.544 121.732 119.300 -0.185 0.000 2.176 39 C HA 0.396 4.898 4.460 0.069 0.000 0.329 39 C C 0.414 175.369 174.990 -0.059 0.000 1.113 39 C CA -0.667 58.287 59.018 -0.107 0.000 1.562 39 C CB -1.487 26.275 27.740 0.037 0.000 2.040 39 C HN 0.520 nan 8.230 nan 0.000 0.460 40 R N 1.720 122.170 120.500 -0.083 0.000 2.698 40 R HA 0.064 4.446 4.340 0.069 0.000 0.266 40 R C 0.403 176.702 176.300 -0.002 0.000 1.026 40 R CA 0.263 56.342 56.100 -0.035 0.000 1.102 40 R CB 0.722 30.997 30.300 -0.040 0.000 0.978 40 R HN 0.693 nan 8.270 nan 0.000 0.436 41 E N 2.576 122.783 120.200 0.013 0.000 2.413 41 E HA -0.067 4.325 4.350 0.069 0.000 0.263 41 E C 0.175 176.789 176.600 0.023 0.000 1.015 41 E CA 0.287 56.701 56.400 0.024 0.000 0.916 41 E CB 0.684 30.399 29.700 0.025 0.000 0.947 41 E HN 0.371 nan 8.360 nan 0.000 0.440 54 Y N 2.208 122.528 120.300 0.032 0.000 2.931 54 Y HA 0.253 4.845 4.550 0.070 0.000 0.330 54 Y C 0.898 176.820 175.900 0.036 0.000 1.115 54 Y CA -0.382 57.740 58.100 0.037 0.000 1.283 54 Y CB 0.624 39.112 38.460 0.047 0.000 1.215 54 Y HN 0.020 nan 8.280 nan 0.000 0.534 55 E N 1.756 122.025 120.200 0.116 0.000 2.358 55 E HA -0.072 4.319 4.350 0.069 0.000 0.195 55 E C 0.082 176.735 176.600 0.089 0.000 1.010 55 E CA 0.528 56.981 56.400 0.087 0.000 0.856 55 E CB 0.415 30.146 29.700 0.052 0.000 0.795 55 E HN 0.716 nan 8.360 nan 0.000 0.504 56 E N 0.299 120.561 120.200 0.103 0.000 2.340 56 E HA 0.343 4.735 4.350 0.069 0.000 0.273 56 E C -0.792 175.870 176.600 0.103 0.000 0.891 56 E CA -0.888 55.560 56.400 0.080 0.000 0.757 56 E CB 1.770 31.503 29.700 0.055 0.000 1.231 56 E HN -0.108 nan 8.360 nan 0.000 0.439 57 T N -1.174 113.432 114.554 0.086 0.000 2.863 57 T HA 0.460 4.851 4.350 0.069 0.000 0.285 57 T C -0.165 174.603 174.700 0.113 0.000 1.009 57 T CA -0.807 61.362 62.100 0.115 0.000 0.989 57 T CB 1.362 70.322 68.868 0.152 0.000 1.004 57 T HN 0.291 nan 8.240 nan 0.000 0.455 58 V N 3.957 123.935 119.914 0.107 0.000 2.455 58 V HA 0.303 4.464 4.120 0.069 0.000 0.273 58 V C -0.107 176.101 176.094 0.190 0.000 1.045 58 V CA -0.699 61.663 62.300 0.103 0.000 0.976 58 V CB -0.176 31.657 31.823 0.018 0.000 0.993 58 V HN 0.864 nan 8.190 nan 0.000 0.475 59 F N 7.681 127.684 119.950 0.088 0.000 2.413 59 F HA 0.561 5.129 4.527 0.069 0.000 0.359 59 F C -0.586 175.295 175.800 0.135 0.000 1.122 59 F CA -0.477 57.591 58.000 0.112 0.000 1.160 59 F CB 0.192 39.254 39.000 0.103 0.000 1.146 59 F HN 0.532 nan 8.300 nan 0.000 0.514 60 Y N 4.269 124.223 120.300 -0.578 0.000 2.552 60 Y HA 0.534 5.126 4.550 0.071 0.000 0.337 60 Y C 0.091 175.697 175.900 -0.490 0.000 1.094 60 Y CA -0.664 57.142 58.100 -0.490 0.000 1.028 60 Y CB 1.981 40.260 38.460 -0.301 0.000 1.321 60 Y HN 0.712 nan 8.280 nan 0.000 0.456 61 G N 3.081 111.138 108.800 -1.238 0.000 2.284 61 G HA2 -0.265 3.736 3.960 0.069 0.000 0.201 61 G HA3 -0.265 3.736 3.960 0.069 0.000 0.201 61 G C 0.442 175.070 174.900 -0.453 0.000 0.998 61 G CA 0.195 44.731 45.100 -0.939 0.000 0.651 61 G HN 0.948 nan 8.290 nan 0.000 0.489 62 L N 1.339 122.272 121.223 -0.484 0.000 2.046 62 L HA 0.160 4.542 4.340 0.069 0.000 0.208 62 L C 2.682 179.437 176.870 -0.191 0.000 1.077 62 L CA 3.232 57.870 54.840 -0.337 0.000 0.747 62 L CB -0.537 41.330 42.059 -0.321 0.000 0.896 62 L HN 0.505 nan 8.230 nan 0.000 0.432 63 Q N -1.873 117.871 119.800 -0.093 0.000 2.135 63 Q HA -0.307 4.074 4.340 0.069 0.000 0.204 63 Q C 2.237 178.110 176.000 -0.212 0.000 0.981 63 Q CA 2.164 57.910 55.803 -0.096 0.000 0.856 63 Q CB -0.450 28.252 28.738 -0.060 0.000 0.902 63 Q HN 0.673 nan 8.270 nan 0.000 0.425 64 Y N 0.627 120.702 120.300 -0.376 0.000 2.097 64 Y HA -0.245 4.348 4.550 0.071 0.000 0.282 64 Y C 1.755 177.353 175.900 -0.504 0.000 1.152 64 Y CA 2.046 59.804 58.100 -0.570 0.000 1.136 64 Y CB -0.290 37.870 38.460 -0.500 0.000 0.975 64 Y HN 0.120 nan 8.280 nan 0.000 0.498 65 I N -0.097 120.263 120.570 -0.349 0.000 2.226 65 I HA -0.338 3.874 4.170 0.069 0.000 0.245 65 I C 2.375 178.318 176.117 -0.289 0.000 1.100 65 I CA 1.304 62.422 61.300 -0.303 0.000 1.374 65 I CB -0.479 37.447 38.000 -0.124 0.000 1.057 65 I HN 0.279 nan 8.210 nan 0.000 0.413 66 L N 0.265 121.344 121.223 -0.240 0.000 2.012 66 L HA -0.240 4.141 4.340 0.069 0.000 0.210 66 L C 2.361 179.172 176.870 -0.098 0.000 1.073 66 L CA 1.502 56.248 54.840 -0.157 0.000 0.748 66 L CB -0.828 41.205 42.059 -0.043 0.000 0.891 66 L HN 0.364 nan 8.230 nan 0.000 0.431 67 N N 0.095 118.711 118.700 -0.139 0.000 2.135 67 N HA -0.183 4.599 4.740 0.069 0.000 0.186 67 N C 1.873 177.283 175.510 -0.166 0.000 1.027 67 N CA 1.165 54.171 53.050 -0.073 0.000 0.849 67 N CB -0.038 38.483 38.487 0.058 0.000 1.002 67 N HN 0.306 nan 8.380 nan 0.000 0.425 68 K N -0.371 119.754 120.400 -0.458 0.000 2.155 68 K HA -0.097 4.264 4.320 0.069 0.000 0.203 68 K C 0.867 176.986 176.600 -0.801 0.000 1.052 68 K CA 1.213 57.045 56.287 -0.757 0.000 0.948 68 K CB 0.158 31.747 32.500 -1.520 0.000 0.728 68 K HN 0.151 nan 8.250 nan 0.000 0.448 69 Y N -1.244 118.825 120.300 -0.385 0.000 2.585 69 Y HA 0.205 4.796 4.550 0.068 0.000 0.272 69 Y C 1.428 177.271 175.900 -0.094 0.000 1.119 69 Y CA -0.102 57.771 58.100 -0.378 0.000 1.255 69 Y CB 0.545 38.688 38.460 -0.530 0.000 1.284 69 Y HN -0.118 nan 8.280 nan 0.000 0.499 70 L N 0.228 121.470 121.223 0.032 0.000 2.537 70 L HA 0.149 4.531 4.340 0.069 0.000 0.224 70 L C 0.627 177.619 176.870 0.203 0.000 1.065 70 L CA 0.029 54.886 54.840 0.028 0.000 0.860 70 L CB 0.106 41.984 42.059 -0.302 0.000 1.086 70 L HN -0.042 nan 8.230 nan 0.000 0.482 71 K N 0.732 121.263 120.400 0.218 0.000 2.154 71 K HA 0.559 4.920 4.320 0.069 0.000 0.264 71 K C 0.533 177.154 176.600 0.035 0.000 1.008 71 K CA 0.221 56.658 56.287 0.251 0.000 0.937 71 K CB 1.087 33.693 32.500 0.176 0.000 1.002 71 K HN 0.039 nan 8.250 nan 0.000 0.469 72 G N 1.307 110.045 108.800 -0.102 0.000 2.593 72 G HA2 -0.320 3.682 3.960 0.069 0.000 0.237 72 G HA3 -0.320 3.682 3.960 0.069 0.000 0.237 72 G C -1.048 173.373 174.900 -0.799 0.000 1.312 72 G CA 0.058 44.924 45.100 -0.390 0.000 0.896 72 G HN 0.866 nan 8.290 nan 0.000 0.574 73 K N 0.526 120.615 120.400 -0.519 0.000 2.278 73 K HA 0.438 4.799 4.320 0.069 0.000 0.289 73 K C 1.480 178.040 176.600 -0.067 0.000 1.080 73 K CA 0.312 56.453 56.287 -0.244 0.000 0.934 73 K CB 0.288 32.784 32.500 -0.007 0.000 1.093 73 K HN 1.231 nan 8.250 nan 0.000 0.459 74 V N 1.470 121.378 119.914 -0.010 0.000 3.643 74 V HA 0.188 4.350 4.120 0.069 0.000 0.280 74 V C 0.125 176.262 176.094 0.073 0.000 1.351 74 V CA -0.275 62.070 62.300 0.075 0.000 1.073 74 V CB 0.606 32.515 31.823 0.143 0.000 0.863 74 V HN 0.230 nan 8.190 nan 0.000 0.436 75 V N 2.408 122.382 119.914 0.099 0.000 2.459 75 V HA 0.741 4.903 4.120 0.069 0.000 0.295 75 V C 0.253 176.394 176.094 0.079 0.000 1.029 75 V CA 0.481 62.842 62.300 0.100 0.000 0.874 75 V CB 1.151 33.126 31.823 0.253 0.000 0.985 75 V HN 0.655 nan 8.190 nan 0.000 0.438 76 T N 0.415 114.992 114.554 0.038 0.000 2.864 76 T HA 0.445 4.836 4.350 0.069 0.000 0.289 76 T C 0.732 175.453 174.700 0.034 0.000 1.082 76 T CA -0.684 61.439 62.100 0.038 0.000 1.009 76 T CB 2.185 71.063 68.868 0.017 0.000 1.234 76 T HN 0.478 nan 8.240 nan 0.000 0.526 77 K N 0.082 120.503 120.400 0.035 0.000 2.063 77 K HA -0.148 4.213 4.320 0.069 0.000 0.208 77 K C 1.760 178.368 176.600 0.014 0.000 1.048 77 K CA 1.839 58.146 56.287 0.034 0.000 0.928 77 K CB -0.144 32.374 32.500 0.029 0.000 0.713 77 K HN 0.652 nan 8.250 nan 0.000 0.442 78 E N 0.412 120.610 120.200 -0.004 0.000 2.107 78 E HA -0.091 4.300 4.350 0.069 0.000 0.191 78 E C 1.747 178.313 176.600 -0.057 0.000 0.982 78 E CA 1.151 57.535 56.400 -0.026 0.000 0.809 78 E CB 0.108 29.792 29.700 -0.026 0.000 0.756 78 E HN 0.223 nan 8.360 nan 0.000 0.459 79 K N 0.234 120.594 120.400 -0.066 0.000 2.097 79 K HA -0.048 4.313 4.320 0.069 0.000 0.205 79 K C 2.059 178.568 176.600 -0.151 0.000 1.050 79 K CA 0.959 57.172 56.287 -0.123 0.000 0.938 79 K CB -0.136 32.286 32.500 -0.129 0.000 0.718 79 K HN 0.121 nan 8.250 nan 0.000 0.442 80 I N 0.790 121.319 120.570 -0.068 0.000 2.179 80 I HA -0.296 3.915 4.170 0.069 0.000 0.242 80 I C 2.628 178.731 176.117 -0.023 0.000 1.088 80 I CA 1.146 62.455 61.300 0.014 0.000 1.357 80 I CB -0.138 37.947 38.000 0.141 0.000 1.051 80 I HN 0.159 nan 8.210 nan 0.000 0.409 81 Q N 1.111 120.895 119.800 -0.027 0.000 2.079 81 Q HA -0.246 4.136 4.340 0.069 0.000 0.200 81 Q C 2.022 177.950 176.000 -0.120 0.000 0.974 81 Q CA 1.773 57.552 55.803 -0.040 0.000 0.840 81 Q CB -0.210 28.517 28.738 -0.018 0.000 0.898 81 Q HN 0.444 nan 8.270 nan 0.000 0.430 82 E N -0.813 119.295 120.200 -0.153 0.000 2.070 82 E HA -0.260 4.131 4.350 0.069 0.000 0.197 82 E C 1.718 178.122 176.600 -0.327 0.000 1.004 82 E CA 1.305 57.582 56.400 -0.206 0.000 0.805 82 E CB -0.248 29.334 29.700 -0.196 0.000 0.744 82 E HN 0.443 nan 8.360 nan 0.000 0.451 83 A N 1.486 124.048 122.820 -0.431 0.000 1.877 83 A HA -0.217 4.145 4.320 0.069 0.000 0.216 83 A C 2.139 179.259 177.584 -0.774 0.000 1.186 83 A CA 1.802 53.416 52.037 -0.705 0.000 0.620 83 A CB -0.546 18.007 19.000 -0.745 0.000 0.822 83 A HN 0.257 nan 8.150 nan 0.000 0.443 84 K N -0.468 119.546 120.400 -0.643 0.000 2.063 84 K HA -0.231 4.130 4.320 0.069 0.000 0.208 84 K C 1.325 177.861 176.600 -0.106 0.000 1.048 84 K CA 1.889 58.005 56.287 -0.284 0.000 0.928 84 K CB -0.257 32.264 32.500 0.035 0.000 0.713 84 K HN 0.391 nan 8.250 nan 0.000 0.442 85 D N 0.237 120.555 120.400 -0.136 0.000 2.117 85 D HA -0.129 4.552 4.640 0.069 0.000 0.198 85 D C 2.021 178.258 176.300 -0.105 0.000 0.982 85 D CA 1.021 54.970 54.000 -0.086 0.000 0.828 85 D CB -0.222 40.523 40.800 -0.091 0.000 0.967 85 D HN 0.057 nan 8.370 nan 0.000 0.464 86 V N 0.618 120.392 119.914 -0.232 0.000 2.270 86 V HA -0.253 3.908 4.120 0.069 0.000 0.245 86 V C 2.142 178.153 176.094 -0.138 0.000 1.043 86 V CA 1.388 63.520 62.300 -0.278 0.000 1.014 86 V CB -0.660 30.856 31.823 -0.512 0.000 0.645 86 V HN 0.141 nan 8.190 nan 0.000 0.447 87 Y N 0.514 120.810 120.300 -0.006 0.000 2.293 87 Y HA -0.152 4.440 4.550 0.069 0.000 0.291 87 Y C 2.370 178.447 175.900 0.294 0.000 1.137 87 Y CA 1.328 59.559 58.100 0.220 0.000 1.202 87 Y CB -0.692 37.932 38.460 0.273 0.000 0.990 87 Y HN 0.197 nan 8.280 nan 0.000 0.537 88 K N 0.674 121.251 120.400 0.295 0.000 2.063 88 K HA -0.174 4.188 4.320 0.069 0.000 0.208 88 K C 1.739 178.449 176.600 0.184 0.000 1.048 88 K CA 1.816 58.236 56.287 0.221 0.000 0.928 88 K CB -0.050 32.529 32.500 0.132 0.000 0.713 88 K HN 0.118 nan 8.250 nan 0.000 0.442 89 E N -0.675 119.605 120.200 0.132 0.000 2.076 89 E HA -0.157 4.235 4.350 0.069 0.000 0.190 89 E C 2.100 178.766 176.600 0.109 0.000 0.979 89 E CA 0.977 57.432 56.400 0.091 0.000 0.807 89 E CB -0.532 29.192 29.700 0.040 0.000 0.761 89 E HN 0.546 nan 8.360 nan 0.000 0.454 90 H N -0.979 118.097 119.070 0.010 0.000 2.353 90 H HA -0.091 4.506 4.556 0.069 0.000 0.300 90 H C 1.235 176.445 175.328 -0.197 0.000 1.090 90 H CA 1.220 57.198 56.048 -0.117 0.000 1.327 90 H CB 0.107 29.776 29.762 -0.154 0.000 1.383 90 H HN 0.089 nan 8.280 nan 0.000 0.508 91 F N 0.273 120.264 119.950 0.069 0.000 2.714 91 F HA 0.084 4.652 4.527 0.069 0.000 0.294 91 F C 0.933 176.738 175.800 0.008 0.000 1.120 91 F CA 0.062 58.058 58.000 -0.006 0.000 1.398 91 F CB 0.414 39.452 39.000 0.063 0.000 1.120 91 F HN 0.028 nan 8.300 nan 0.000 0.589 92 Q N 1.134 121.046 119.800 0.186 0.000 2.487 92 Q HA -0.257 4.125 4.340 0.069 0.000 0.279 92 Q C -0.933 175.149 176.000 0.136 0.000 1.228 92 Q CA 1.314 57.191 55.803 0.124 0.000 0.873 92 Q CB -1.895 26.886 28.738 0.072 0.000 1.260 92 Q HN 0.588 nan 8.270 nan 0.000 0.471 93 D N -0.846 119.664 120.400 0.184 0.000 2.685 93 D HA 0.118 4.799 4.640 0.069 0.000 0.236 93 D C -0.802 175.595 176.300 0.162 0.000 1.233 93 D CA -0.206 53.878 54.000 0.139 0.000 0.760 93 D CB 0.786 41.649 40.800 0.105 0.000 1.410 93 D HN 0.009 nan 8.370 nan 0.000 0.439 94 D N 2.397 122.871 120.400 0.124 0.000 2.538 94 D HA -0.012 4.670 4.640 0.069 0.000 0.234 94 D C 1.480 177.869 176.300 0.148 0.000 1.191 94 D CA -0.182 53.911 54.000 0.155 0.000 0.828 94 D CB 0.320 41.197 40.800 0.129 0.000 0.981 94 D HN 0.142 nan 8.370 nan 0.000 0.490 95 V N 0.352 120.312 119.914 0.076 0.000 2.688 95 V HA -0.121 4.040 4.120 0.069 0.000 0.256 95 V C 0.681 176.861 176.094 0.143 0.000 1.084 95 V CA 0.635 62.942 62.300 0.012 0.000 1.103 95 V CB -0.974 30.701 31.823 -0.247 0.000 0.688 95 V HN 0.276 nan 8.190 nan 0.000 0.480 96 F N 2.143 122.109 119.950 0.026 0.000 2.635 96 F HA 0.042 4.611 4.527 0.069 0.000 0.379 96 F C 0.675 176.446 175.800 -0.049 0.000 1.094 96 F CA 0.158 58.184 58.000 0.043 0.000 1.300 96 F CB -0.041 39.070 39.000 0.185 0.000 1.035 96 F HN 0.178 nan 8.300 nan 0.000 0.581 97 N N 5.145 123.158 118.700 -1.145 0.000 3.050 97 N HA -0.022 4.759 4.740 0.069 0.000 0.289 97 N C 1.094 175.844 175.510 -1.268 0.000 1.209 97 N CA 0.279 52.493 53.050 -1.395 0.000 1.154 97 N CB -0.327 36.906 38.487 -2.091 0.000 1.444 97 N HN 0.881 nan 8.380 nan 0.000 0.529 98 E N 1.750 121.427 120.200 -0.871 0.000 2.077 98 E HA -0.243 4.149 4.350 0.069 0.000 0.193 98 E C 1.399 177.889 176.600 -0.183 0.000 0.989 98 E CA 1.056 57.244 56.400 -0.353 0.000 0.800 98 E CB 0.184 29.904 29.700 0.033 0.000 0.746 98 E HN 0.482 nan 8.360 nan 0.000 0.452 99 K N -0.320 119.955 120.400 -0.209 0.000 2.063 99 K HA -0.135 4.227 4.320 0.069 0.000 0.208 99 K C 2.107 178.640 176.600 -0.112 0.000 1.048 99 K CA 1.514 57.736 56.287 -0.109 0.000 0.928 99 K CB -0.397 32.045 32.500 -0.096 0.000 0.713 99 K HN 0.226 nan 8.250 nan 0.000 0.442 100 G N 0.029 108.621 108.800 -0.346 0.000 2.418 100 G HA2 -0.249 3.753 3.960 0.069 0.000 0.217 100 G HA3 -0.249 3.753 3.960 0.069 0.000 0.217 100 G C 1.079 175.923 174.900 -0.093 0.000 1.158 100 G CA 0.793 45.694 45.100 -0.330 0.000 0.771 100 G HN 0.448 nan 8.290 nan 0.000 0.545 101 W N 0.601 121.791 121.300 -0.183 0.000 2.418 101 W HA 0.077 4.779 4.660 0.069 0.000 0.292 101 W C 2.575 179.139 176.519 0.074 0.000 1.213 101 W CA 0.709 58.050 57.345 -0.007 0.000 1.283 101 W CB -0.177 29.229 29.460 -0.090 0.000 1.119 101 W HN 0.191 nan 8.180 nan 0.000 0.542 102 N N -0.790 118.060 118.700 0.249 0.000 2.104 102 N HA -0.297 4.484 4.740 0.069 0.000 0.190 102 N C 1.595 177.206 175.510 0.169 0.000 1.024 102 N CA 1.707 54.867 53.050 0.183 0.000 0.853 102 N CB -0.543 38.018 38.487 0.124 0.000 1.008 102 N HN 0.130 nan 8.380 nan 0.000 0.424 103 Y N 1.340 121.679 120.300 0.064 0.000 2.114 103 Y HA -0.214 4.377 4.550 0.069 0.000 0.282 103 Y C 1.815 177.761 175.900 0.077 0.000 1.165 103 Y CA 1.583 59.712 58.100 0.049 0.000 1.148 103 Y CB -0.270 38.221 38.460 0.052 0.000 0.972 103 Y HN 0.090 nan 8.280 nan 0.000 0.504 104 I N -0.696 120.006 120.570 0.220 0.000 2.226 104 I HA -0.284 3.928 4.170 0.069 0.000 0.245 104 I C 2.309 178.521 176.117 0.159 0.000 1.100 104 I CA 1.201 62.633 61.300 0.220 0.000 1.374 104 I CB -0.520 37.630 38.000 0.249 0.000 1.057 104 I HN 0.321 nan 8.210 nan 0.000 0.413 105 L N 1.048 122.368 121.223 0.162 0.000 1.994 105 L HA -0.214 4.168 4.340 0.069 0.000 0.208 105 L C 2.310 179.197 176.870 0.029 0.000 1.071 105 L CA 2.009 56.924 54.840 0.124 0.000 0.745 105 L CB -0.593 41.546 42.059 0.134 0.000 0.892 105 L HN 0.108 nan 8.230 nan 0.000 0.431 106 E N -0.655 119.521 120.200 -0.040 0.000 2.072 106 E HA -0.218 4.173 4.350 0.069 0.000 0.191 106 E C 2.227 178.691 176.600 -0.225 0.000 0.985 106 E CA 1.410 57.746 56.400 -0.106 0.000 0.801 106 E CB -0.042 29.599 29.700 -0.098 0.000 0.750 106 E HN 0.384 nan 8.360 nan 0.000 0.452 107 K N -1.083 119.057 120.400 -0.434 0.000 2.137 107 K HA -0.028 4.334 4.320 0.069 0.000 0.202 107 K C 0.461 176.644 176.600 -0.695 0.000 1.052 107 K CA 0.882 56.736 56.287 -0.723 0.000 0.961 107 K CB 0.224 31.950 32.500 -1.290 0.000 0.741 107 K HN 0.123 nan 8.250 nan 0.000 0.452 108 Y N 0.097 120.321 120.300 -0.126 0.000 2.660 108 Y HA 0.202 4.793 4.550 0.069 0.000 0.254 108 Y C -0.436 175.475 175.900 0.018 0.000 1.176 108 Y CA -0.715 57.349 58.100 -0.059 0.000 1.195 108 Y CB 0.379 38.828 38.460 -0.019 0.000 1.190 108 Y HN 0.109 nan 8.280 nan 0.000 0.535 109 D N 0.924 121.390 120.400 0.111 0.000 2.708 109 D HA -0.195 4.487 4.640 0.069 0.000 0.236 109 D C 1.360 177.842 176.300 0.303 0.000 1.146 109 D CA 1.507 55.600 54.000 0.156 0.000 0.662 109 D CB -1.067 39.794 40.800 0.103 0.000 1.059 109 D HN 0.727 nan 8.370 nan 0.000 0.428 110 G N -0.609 108.350 108.800 0.265 0.000 2.155 110 G HA2 -0.352 3.649 3.960 0.069 0.000 0.257 110 G HA3 -0.352 3.649 3.960 0.069 0.000 0.257 110 G C 0.121 175.163 174.900 0.237 0.000 0.983 110 G CA 0.461 45.708 45.100 0.245 0.000 0.676 110 G HN 0.697 nan 8.290 nan 0.000 0.528 111 H N -0.510 118.653 119.070 0.156 0.000 2.548 111 H HA 0.570 5.167 4.556 0.069 0.000 0.331 111 H C 0.994 176.373 175.328 0.084 0.000 1.093 111 H CA -0.491 55.628 56.048 0.118 0.000 1.367 111 H CB 0.845 30.642 29.762 0.059 0.000 1.455 111 H HN 0.214 nan 8.280 nan 0.000 0.519 112 L N 5.681 127.024 121.223 0.200 0.000 2.361 112 L HA 0.191 4.573 4.340 0.069 0.000 0.278 112 L C -1.814 175.061 176.870 0.010 0.000 1.113 112 L CA -1.799 53.117 54.840 0.127 0.000 0.849 112 L CB 0.598 42.791 42.059 0.224 0.000 1.155 112 L HN 0.502 nan 8.230 nan 0.000 0.452 113 P HA 0.215 nan 4.420 nan 0.000 0.231 113 P C -0.659 176.562 177.300 -0.132 0.000 1.811 113 P CA 0.130 63.041 63.100 -0.316 0.000 1.051 113 P CB 0.008 31.383 31.700 -0.541 0.000 1.951 114 I N 0.891 121.482 120.570 0.034 0.000 2.647 114 I HA 0.367 4.579 4.170 0.069 0.000 0.295 114 I C 0.180 176.432 176.117 0.225 0.000 1.078 114 I CA -0.933 60.444 61.300 0.128 0.000 1.048 114 I CB 2.920 41.024 38.000 0.172 0.000 1.239 114 I HN 0.131 nan 8.210 nan 0.000 0.421 115 E N 6.144 126.449 120.200 0.176 0.000 2.176 115 E HA 0.592 4.983 4.350 0.069 0.000 0.267 115 E C -1.463 175.264 176.600 0.212 0.000 0.893 115 E CA -0.518 55.998 56.400 0.193 0.000 0.761 115 E CB 1.691 31.459 29.700 0.114 0.000 1.133 115 E HN 0.448 nan 8.360 nan 0.000 0.409 116 I N 4.416 125.144 120.570 0.264 0.000 2.406 116 I HA 0.337 4.549 4.170 0.069 0.000 0.290 116 I C -0.339 175.891 176.117 0.189 0.000 0.999 116 I CA -0.738 60.688 61.300 0.209 0.000 1.124 116 I CB 1.618 39.706 38.000 0.146 0.000 1.289 116 I HN 0.296 nan 8.210 nan 0.000 0.441 117 K N 5.282 125.786 120.400 0.173 0.000 2.244 117 K HA 0.867 5.229 4.320 0.069 0.000 0.260 117 K C -0.958 175.740 176.600 0.163 0.000 0.951 117 K CA -0.612 55.764 56.287 0.148 0.000 0.826 117 K CB 2.551 35.114 32.500 0.105 0.000 1.108 117 K HN 0.690 nan 8.250 nan 0.000 0.433 118 A N 1.816 124.719 122.820 0.139 0.000 2.515 118 A HA 0.401 4.762 4.320 0.069 0.000 0.298 118 A C -1.034 176.530 177.584 -0.033 0.000 1.059 118 A CA -0.722 51.355 52.037 0.066 0.000 0.698 118 A CB 1.574 20.670 19.000 0.161 0.000 1.289 118 A HN 0.487 nan 8.150 nan 0.000 0.404 119 V N 2.611 122.375 119.914 -0.250 0.000 2.763 119 V HA 0.253 4.414 4.120 0.069 0.000 0.306 119 V C -2.071 173.842 176.094 -0.302 0.000 1.059 119 V CA -1.063 61.042 62.300 -0.326 0.000 1.138 119 V CB 0.784 32.387 31.823 -0.367 0.000 0.940 119 V HN 0.793 nan 8.190 nan 0.000 0.489 120 P HA 0.061 nan 4.420 nan 0.000 0.265 120 P C -0.556 176.491 177.300 -0.423 0.000 1.187 120 P CA 0.169 62.816 63.100 -0.754 0.000 0.766 120 P CB 0.275 31.360 31.700 -1.024 0.000 0.820 121 E N 1.429 121.324 120.200 -0.508 0.000 2.384 121 E HA 0.234 4.625 4.350 0.069 0.000 0.266 121 E C 1.260 177.844 176.600 -0.027 0.000 1.012 121 E CA 0.767 57.127 56.400 -0.066 0.000 0.901 121 E CB 0.063 29.770 29.700 0.011 0.000 0.967 121 E HN 0.789 nan 8.360 nan 0.000 0.435 122 G N 2.864 111.713 108.800 0.081 0.000 2.258 122 G HA2 -0.281 3.720 3.960 0.069 0.000 0.233 122 G HA3 -0.281 3.720 3.960 0.069 0.000 0.233 122 G C 0.064 175.044 174.900 0.135 0.000 1.006 122 G CA -0.414 44.700 45.100 0.024 0.000 0.620 122 G HN 0.441 nan 8.290 nan 0.000 0.511 123 F N 1.251 121.187 119.950 -0.022 0.000 2.607 123 F HA 0.417 4.985 4.527 0.070 0.000 0.374 123 F C 1.066 176.854 175.800 -0.021 0.000 1.104 123 F CA -0.039 57.952 58.000 -0.015 0.000 1.296 123 F CB 1.147 40.134 39.000 -0.023 0.000 1.085 123 F HN 0.013 nan 8.300 nan 0.000 0.584 124 V N 6.383 126.287 119.914 -0.017 0.000 2.333 124 V HA 0.308 4.469 4.120 0.069 0.000 0.274 124 V C -0.001 176.000 176.094 -0.155 0.000 1.028 124 V CA -0.568 61.710 62.300 -0.038 0.000 0.851 124 V CB 0.751 32.550 31.823 -0.039 0.000 1.000 124 V HN 0.330 nan 8.190 nan 0.000 0.456 125 I N 6.633 127.102 120.570 -0.168 0.000 2.436 125 I HA 0.476 4.687 4.170 0.069 0.000 0.289 125 I C -2.474 173.555 176.117 -0.146 0.000 1.010 125 I CA -2.752 58.321 61.300 -0.379 0.000 1.098 125 I CB 1.936 39.726 38.000 -0.349 0.000 1.266 125 I HN 0.330 nan 8.210 nan 0.000 0.434 126 P HA 0.081 nan 4.420 nan 0.000 0.268 126 P C -0.013 177.295 177.300 0.014 0.000 1.208 126 P CA -0.251 62.860 63.100 0.018 0.000 0.777 126 P CB 0.439 32.191 31.700 0.086 0.000 0.875 127 R N 1.630 122.155 120.500 0.042 0.000 2.756 127 R HA 0.237 4.618 4.340 0.069 0.000 0.264 127 R C 1.374 177.692 176.300 0.029 0.000 1.026 127 R CA 1.068 57.192 56.100 0.040 0.000 1.121 127 R CB -0.910 29.422 30.300 0.053 0.000 0.999 127 R HN 0.915 nan 8.270 nan 0.000 0.449 128 G N 1.554 110.366 108.800 0.020 0.000 2.137 128 G HA2 -0.291 3.711 3.960 0.069 0.000 0.237 128 G HA3 -0.291 3.711 3.960 0.069 0.000 0.237 128 G C -0.275 174.635 174.900 0.018 0.000 1.002 128 G CA 0.232 45.345 45.100 0.020 0.000 0.702 128 G HN 0.642 nan 8.290 nan 0.000 0.515 129 N N -1.372 117.334 118.700 0.010 0.000 2.319 129 N HA 0.546 5.327 4.740 0.069 0.000 0.305 129 N C -0.032 175.480 175.510 0.003 0.000 1.103 129 N CA -0.573 52.473 53.050 -0.006 0.000 0.815 129 N CB 2.663 41.133 38.487 -0.030 0.000 1.288 129 N HN 0.231 nan 8.380 nan 0.000 0.493 130 V N 3.167 123.073 119.914 -0.013 0.000 2.599 130 V HA 0.047 4.208 4.120 0.069 0.000 0.300 130 V C 0.437 176.505 176.094 -0.043 0.000 1.034 130 V CA 0.760 63.069 62.300 0.014 0.000 1.115 130 V CB -0.110 31.685 31.823 -0.047 0.000 0.934 130 V HN 0.639 nan 8.190 nan 0.000 0.485 131 L N 6.633 127.831 121.223 -0.041 0.000 2.467 131 L HA 0.423 4.804 4.340 0.069 0.000 0.213 131 L C 0.113 176.858 176.870 -0.210 0.000 1.053 131 L CA 0.210 54.931 54.840 -0.199 0.000 0.847 131 L CB 0.150 42.168 42.059 -0.069 0.000 1.075 131 L HN 0.745 nan 8.230 nan 0.000 0.479 132 F N -1.430 118.486 119.950 -0.058 0.000 2.668 132 F HA 0.679 5.246 4.527 0.068 0.000 0.309 132 F C -0.624 175.203 175.800 0.044 0.000 1.117 132 F CA -1.025 56.960 58.000 -0.025 0.000 0.951 132 F CB 1.088 40.097 39.000 0.014 0.000 1.323 132 F HN -0.188 nan 8.300 nan 0.000 0.451 133 T N -0.119 114.567 114.554 0.220 0.000 2.908 133 T HA 0.848 5.239 4.350 0.069 0.000 0.290 133 T C -1.398 173.356 174.700 0.090 0.000 1.034 133 T CA -0.827 61.262 62.100 -0.019 0.000 1.010 133 T CB 1.695 70.440 68.868 -0.205 0.000 1.068 133 T HN 0.799 nan 8.240 nan 0.000 0.481 134 V N 2.437 122.319 119.914 -0.053 0.000 2.709 134 V HA 0.736 4.897 4.120 0.069 0.000 0.308 134 V C -0.577 175.512 176.094 -0.008 0.000 1.062 134 V CA -0.860 61.498 62.300 0.097 0.000 0.901 134 V CB 1.534 33.559 31.823 0.336 0.000 1.003 134 V HN 1.163 nan 8.190 nan 0.000 0.425 135 E N 2.882 123.136 120.200 0.089 0.000 2.390 135 E HA 0.426 4.817 4.350 0.069 0.000 0.277 135 E C -1.506 175.148 176.600 0.089 0.000 0.939 135 E CA -1.019 55.462 56.400 0.135 0.000 0.769 135 E CB 2.087 31.950 29.700 0.271 0.000 1.251 135 E HN 0.628 nan 8.360 nan 0.000 0.450 136 N N 1.016 119.743 118.700 0.046 0.000 2.529 136 N HA 0.028 4.809 4.740 0.069 0.000 0.278 136 N C 0.487 175.998 175.510 0.003 0.000 1.146 136 N CA 0.041 53.072 53.050 -0.032 0.000 0.980 136 N CB 1.455 39.868 38.487 -0.124 0.000 1.124 136 N HN 0.691 nan 8.380 nan 0.000 0.458 137 T N -3.509 111.025 114.554 -0.034 0.000 3.040 137 T HA 0.042 4.433 4.350 0.069 0.000 0.250 137 T C -0.029 174.669 174.700 -0.004 0.000 1.058 137 T CA -0.024 62.066 62.100 -0.017 0.000 0.988 137 T CB 0.066 68.905 68.868 -0.048 0.000 0.993 137 T HN 0.549 nan 8.240 nan 0.000 0.519 138 D N 1.858 122.251 120.400 -0.011 0.000 2.492 138 D HA 0.307 4.988 4.640 0.069 0.000 0.248 138 D C -1.947 174.378 176.300 0.041 0.000 1.101 138 D CA -2.405 51.641 54.000 0.077 0.000 0.840 138 D CB 2.715 43.644 40.800 0.214 0.000 1.209 138 D HN -0.134 nan 8.370 nan 0.000 0.524 139 P HA -0.135 nan 4.420 nan 0.000 0.220 139 P C 0.811 178.153 177.300 0.071 0.000 1.144 139 P CA 0.789 63.919 63.100 0.050 0.000 0.800 139 P CB 0.620 32.343 31.700 0.038 0.000 0.772 140 E N -0.911 119.289 120.200 -0.001 0.000 2.274 140 E HA -0.054 4.337 4.350 0.069 0.000 0.194 140 E C 1.018 177.577 176.600 -0.068 0.000 0.996 140 E CA 0.646 56.993 56.400 -0.088 0.000 0.840 140 E CB -0.475 28.870 29.700 -0.591 0.000 0.772 140 E HN 0.300 nan 8.360 nan 0.000 0.491 141 C N 1.608 120.773 119.300 -0.225 0.000 2.563 141 C HA 0.147 4.648 4.460 0.069 0.000 0.307 141 C C 1.842 176.342 174.990 -0.816 0.000 1.371 141 C CA -1.051 57.506 59.018 -0.768 0.000 1.772 141 C CB -2.187 25.185 27.740 -0.614 0.000 2.283 141 C HN 0.480 nan 8.230 nan 0.000 0.570 142 Y N 0.403 120.477 120.300 -0.377 0.000 2.181 142 Y HA -0.252 4.340 4.550 0.069 0.000 0.284 142 Y C 2.210 177.922 175.900 -0.314 0.000 1.179 142 Y CA 1.852 59.785 58.100 -0.279 0.000 1.179 142 Y CB -1.006 37.346 38.460 -0.180 0.000 0.973 142 Y HN 0.628 nan 8.280 nan 0.000 0.519 143 W N 0.303 121.039 121.300 -0.939 0.000 2.595 143 W HA 0.030 4.731 4.660 0.069 0.000 0.257 143 W C 1.262 177.710 176.519 -0.118 0.000 1.267 143 W CA 0.363 57.410 57.345 -0.497 0.000 1.300 143 W CB -0.880 28.254 29.460 -0.543 0.000 1.120 143 W HN 0.280 nan 8.180 nan 0.000 0.618 144 L N 2.363 123.102 121.223 -0.807 0.000 2.240 144 L HA 0.000 4.381 4.340 0.069 0.000 0.211 144 L C 2.385 179.207 176.870 -0.080 0.000 1.106 144 L CA 2.107 56.561 54.840 -0.643 0.000 0.793 144 L CB -0.904 40.446 42.059 -1.182 0.000 0.927 144 L HN -0.198 nan 8.230 nan 0.000 0.446 145 T N -0.044 114.480 114.554 -0.050 0.000 2.635 145 T HA -0.212 4.179 4.350 0.069 0.000 0.267 145 T C 1.676 176.552 174.700 0.293 0.000 1.040 145 T CA 2.126 64.302 62.100 0.126 0.000 1.156 145 T CB -0.331 68.608 68.868 0.118 0.000 0.863 145 T HN 0.467 nan 8.240 nan 0.000 0.430 146 N N -0.477 118.429 118.700 0.342 0.000 2.373 146 N HA -0.015 4.766 4.740 0.069 0.000 0.181 146 N C 1.546 177.258 175.510 0.337 0.000 1.082 146 N CA -0.052 53.236 53.050 0.396 0.000 0.885 146 N CB 0.057 38.820 38.487 0.460 0.000 0.977 146 N HN 0.482 nan 8.380 nan 0.000 0.462 147 W N 3.040 124.480 121.300 0.233 0.000 2.338 147 W HA -0.134 4.568 4.660 0.069 0.000 0.304 147 W C 1.550 178.169 176.519 0.167 0.000 1.212 147 W CA 1.094 58.593 57.345 0.256 0.000 1.264 147 W CB -0.046 29.652 29.460 0.397 0.000 1.142 147 W HN 0.008 nan 8.180 nan 0.000 0.512 148 I N -1.057 119.750 120.570 0.394 0.000 3.735 148 I HA 0.043 4.254 4.170 0.069 0.000 0.310 148 I C 1.866 177.947 176.117 -0.060 0.000 1.270 148 I CA 0.792 62.220 61.300 0.214 0.000 1.207 148 I CB -0.707 37.404 38.000 0.184 0.000 1.013 148 I HN -0.030 nan 8.210 nan 0.000 0.452 149 E N 2.277 122.352 120.200 -0.208 0.000 2.049 149 E HA -0.244 4.148 4.350 0.069 0.000 0.198 149 E C 1.820 178.218 176.600 -0.337 0.000 1.007 149 E CA 2.760 58.752 56.400 -0.679 0.000 0.809 149 E CB -0.129 29.270 29.700 -0.501 0.000 0.749 149 E HN 0.559 nan 8.360 nan 0.000 0.450 150 T N 1.321 115.796 114.554 -0.132 0.000 2.665 150 T HA -0.217 4.175 4.350 0.069 0.000 0.268 150 T C 1.950 176.642 174.700 -0.013 0.000 1.035 150 T CA 1.608 63.687 62.100 -0.036 0.000 1.151 150 T CB -0.368 68.486 68.868 -0.023 0.000 0.862 150 T HN 0.263 nan 8.240 nan 0.000 0.438 151 I N 0.197 120.751 120.570 -0.026 0.000 2.315 151 I HA -0.054 4.157 4.170 0.069 0.000 0.248 151 I C 2.025 178.120 176.117 -0.037 0.000 1.117 151 I CA 1.114 62.393 61.300 -0.035 0.000 1.404 151 I CB -0.033 37.950 38.000 -0.028 0.000 1.071 151 I HN 0.195 nan 8.210 nan 0.000 0.419 152 L N -0.782 120.406 121.223 -0.058 0.000 2.109 152 L HA -0.138 4.243 4.340 0.069 0.000 0.207 152 L C 2.434 179.362 176.870 0.097 0.000 1.086 152 L CA 0.615 55.434 54.840 -0.034 0.000 0.760 152 L CB -0.541 41.523 42.059 0.008 0.000 0.910 152 L HN 0.049 nan 8.230 nan 0.000 0.437 153 V N -0.300 119.694 119.914 0.133 0.000 2.568 153 V HA -0.297 3.864 4.120 0.069 0.000 0.253 153 V C 2.293 178.652 176.094 0.442 0.000 1.072 153 V CA 1.491 64.010 62.300 0.366 0.000 1.084 153 V CB -0.572 31.439 31.823 0.313 0.000 0.676 153 V HN 0.520 nan 8.190 nan 0.000 0.469 154 Q N 0.177 120.141 119.800 0.272 0.000 2.508 154 Q HA -0.148 4.234 4.340 0.069 0.000 0.214 154 Q C 2.277 178.255 176.000 -0.036 0.000 0.979 154 Q CA 1.327 57.249 55.803 0.198 0.000 0.911 154 Q CB -0.223 28.565 28.738 0.084 0.000 0.969 154 Q HN 0.847 nan 8.270 nan 0.000 0.504 155 S N 0.357 116.055 115.700 -0.005 0.000 2.474 155 S HA -0.141 4.370 4.470 0.069 0.000 0.235 155 S C 1.577 176.153 174.600 -0.039 0.000 0.997 155 S CA 0.416 58.539 58.200 -0.127 0.000 0.949 155 S CB -0.734 62.335 63.200 -0.217 0.000 0.766 155 S HN 0.695 nan 8.310 nan 0.000 0.517 156 W N 0.971 122.376 121.300 0.175 0.000 2.325 156 W HA -0.268 4.432 4.660 0.066 0.000 0.299 156 W C 1.803 178.438 176.519 0.194 0.000 1.215 156 W CA 0.965 58.483 57.345 0.289 0.000 1.244 156 W CB -1.150 28.501 29.460 0.318 0.000 1.140 156 W HN 0.401 nan 8.180 nan 0.000 0.523 157 Y N 4.067 123.667 120.300 -1.168 0.000 2.109 157 Y HA -0.081 4.510 4.550 0.070 0.000 0.285 157 Y C -0.080 175.518 175.900 -0.503 0.000 1.131 157 Y CA 2.142 59.432 58.100 -1.350 0.000 1.121 157 Y CB -1.928 35.619 38.460 -1.522 0.000 0.987 157 Y HN -0.248 nan 8.280 nan 0.000 0.495 158 P HA -0.187 nan 4.420 nan 0.000 0.216 158 P C 1.801 178.999 177.300 -0.169 0.000 1.150 158 P CA 1.998 64.877 63.100 -0.368 0.000 0.837 158 P CB -0.165 31.353 31.700 -0.302 0.000 0.786 159 I N -0.149 120.349 120.570 -0.120 0.000 2.127 159 I HA -0.237 3.974 4.170 0.069 0.000 0.241 159 I C 2.327 178.455 176.117 0.018 0.000 1.075 159 I CA 2.026 63.338 61.300 0.020 0.000 1.334 159 I CB -1.233 36.869 38.000 0.170 0.000 1.040 159 I HN 0.003 nan 8.210 nan 0.000 0.405 160 T N 0.204 114.764 114.554 0.009 0.000 2.777 160 T HA -0.097 4.295 4.350 0.069 0.000 0.266 160 T C 1.999 176.647 174.700 -0.088 0.000 1.040 160 T CA 1.140 63.250 62.100 0.017 0.000 1.141 160 T CB -0.289 68.710 68.868 0.217 0.000 0.868 160 T HN 0.095 nan 8.240 nan 0.000 0.444 161 V N 1.896 121.668 119.914 -0.238 0.000 2.295 161 V HA -0.174 3.987 4.120 0.069 0.000 0.246 161 V C 2.943 178.978 176.094 -0.098 0.000 1.049 161 V CA 1.748 63.910 62.300 -0.230 0.000 1.024 161 V CB -1.272 30.276 31.823 -0.459 0.000 0.648 161 V HN 0.529 nan 8.190 nan 0.000 0.447 162 A N -0.259 122.501 122.820 -0.099 0.000 1.902 162 A HA -0.230 4.131 4.320 0.069 0.000 0.217 162 A C 2.399 179.972 177.584 -0.019 0.000 1.181 162 A CA 2.589 54.581 52.037 -0.074 0.000 0.623 162 A CB -0.970 17.973 19.000 -0.095 0.000 0.818 162 A HN 0.518 nan 8.150 nan 0.000 0.443 163 T N -0.008 114.553 114.554 0.011 0.000 2.701 163 T HA -0.141 4.250 4.350 0.069 0.000 0.263 163 T C 1.965 176.744 174.700 0.132 0.000 1.040 163 T CA 1.620 63.760 62.100 0.068 0.000 1.147 163 T CB -0.446 68.462 68.868 0.067 0.000 0.865 163 T HN 0.642 nan 8.240 nan 0.000 0.426 164 N N 0.801 119.558 118.700 0.095 0.000 2.166 164 N HA -0.095 4.686 4.740 0.069 0.000 0.186 164 N C 2.009 177.626 175.510 0.178 0.000 1.019 164 N CA 1.524 54.690 53.050 0.193 0.000 0.856 164 N CB -0.387 38.154 38.487 0.091 0.000 0.993 164 N HN 0.227 nan 8.380 nan 0.000 0.426 165 S N -0.144 115.643 115.700 0.145 0.000 2.368 165 S HA -0.109 4.402 4.470 0.069 0.000 0.225 165 S C 2.012 176.767 174.600 0.259 0.000 1.030 165 S CA 1.073 59.415 58.200 0.236 0.000 0.999 165 S CB -0.339 63.040 63.200 0.298 0.000 0.844 165 S HN 0.415 nan 8.310 nan 0.000 0.459 166 R N 0.465 121.039 120.500 0.123 0.000 2.096 166 R HA -0.042 4.340 4.340 0.069 0.000 0.235 166 R C 2.113 178.457 176.300 0.073 0.000 1.127 166 R CA 1.569 57.694 56.100 0.042 0.000 0.968 166 R CB -0.193 30.100 30.300 -0.012 0.000 0.861 166 R HN 0.362 nan 8.270 nan 0.000 0.440 167 E N 0.607 120.876 120.200 0.116 0.000 2.153 167 E HA -0.206 4.185 4.350 0.069 0.000 0.194 167 E C 1.963 178.603 176.600 0.068 0.000 0.988 167 E CA 1.206 57.656 56.400 0.083 0.000 0.811 167 E CB -0.041 29.720 29.700 0.103 0.000 0.746 167 E HN 0.548 nan 8.360 nan 0.000 0.466 168 Q N 0.353 120.218 119.800 0.109 0.000 2.123 168 Q HA -0.090 4.292 4.340 0.069 0.000 0.199 168 Q C 2.170 178.264 176.000 0.158 0.000 0.966 168 Q CA 0.967 56.819 55.803 0.083 0.000 0.845 168 Q CB -0.044 28.727 28.738 0.054 0.000 0.907 168 Q HN 0.095 nan 8.270 nan 0.000 0.439 169 K N 1.240 121.797 120.400 0.262 0.000 2.057 169 K HA -0.166 4.195 4.320 0.069 0.000 0.207 169 K C 1.796 178.441 176.600 0.075 0.000 1.049 169 K CA 1.175 57.590 56.287 0.213 0.000 0.931 169 K CB 0.164 32.602 32.500 -0.105 0.000 0.714 169 K HN 0.015 nan 8.250 nan 0.000 0.440 170 K N 0.380 120.806 120.400 0.043 0.000 2.063 170 K HA -0.144 4.217 4.320 0.069 0.000 0.208 170 K C 2.113 178.750 176.600 0.062 0.000 1.048 170 K CA 1.703 58.006 56.287 0.027 0.000 0.928 170 K CB -0.193 32.315 32.500 0.012 0.000 0.713 170 K HN 0.179 nan 8.250 nan 0.000 0.442 171 I N 1.153 121.768 120.570 0.075 0.000 2.142 171 I HA -0.303 3.909 4.170 0.069 0.000 0.240 171 I C 2.274 178.501 176.117 0.184 0.000 1.078 171 I CA 1.232 62.606 61.300 0.123 0.000 1.343 171 I CB -0.296 37.718 38.000 0.023 0.000 1.046 171 I HN 0.091 nan 8.210 nan 0.000 0.405 172 L N 0.488 121.783 121.223 0.120 0.000 2.012 172 L HA -0.253 4.128 4.340 0.069 0.000 0.210 172 L C 2.849 179.813 176.870 0.156 0.000 1.073 172 L CA 1.551 56.482 54.840 0.152 0.000 0.748 172 L CB -0.769 41.403 42.059 0.189 0.000 0.891 172 L HN 0.273 nan 8.230 nan 0.000 0.431 173 A N -0.020 122.864 122.820 0.107 0.000 1.883 173 A HA -0.289 4.072 4.320 0.069 0.000 0.217 173 A C 2.392 180.003 177.584 0.046 0.000 1.186 173 A CA 2.181 54.251 52.037 0.056 0.000 0.624 173 A CB -0.561 18.445 19.000 0.011 0.000 0.822 173 A HN 0.361 nan 8.150 nan 0.000 0.444 174 K N -1.629 118.803 120.400 0.053 0.000 2.044 174 K HA -0.217 4.144 4.320 0.069 0.000 0.210 174 K C 1.849 178.389 176.600 -0.101 0.000 1.049 174 K CA 2.124 58.391 56.287 -0.033 0.000 0.927 174 K CB -0.371 32.103 32.500 -0.043 0.000 0.713 174 K HN 0.581 nan 8.250 nan 0.000 0.443 175 Y N 0.091 120.380 120.300 -0.017 0.000 2.337 175 Y HA -0.125 4.585 4.550 0.268 0.000 0.293 175 Y C 2.047 177.914 175.900 -0.055 0.000 1.123 175 Y CA 0.479 58.559 58.100 -0.034 0.000 1.201 175 Y CB -0.026 38.429 38.460 -0.008 0.000 1.011 175 Y HN 0.091 nan 8.280 nan 0.000 0.545 176 L N -0.406 120.887 121.223 0.116 0.000 2.017 176 L HA -0.183 4.198 4.340 0.069 0.000 0.208 176 L C 2.188 179.055 176.870 -0.006 0.000 1.073 176 L CA 1.424 56.296 54.840 0.053 0.000 0.745 176 L CB -0.906 41.197 42.059 0.073 0.000 0.894 176 L HN 0.240 nan 8.230 nan 0.000 0.432 177 L N -0.433 120.782 121.223 -0.014 0.000 2.046 177 L HA -0.220 4.161 4.340 0.069 0.000 0.208 177 L C 2.502 179.335 176.870 -0.062 0.000 1.077 177 L CA 1.988 56.807 54.840 -0.034 0.000 0.747 177 L CB -0.629 41.409 42.059 -0.036 0.000 0.896 177 L HN 0.478 nan 8.230 nan 0.000 0.432 178 E N -1.317 118.820 120.200 -0.105 0.000 2.072 178 E HA -0.215 4.177 4.350 0.069 0.000 0.191 178 E C 1.849 178.335 176.600 -0.190 0.000 0.985 178 E CA 1.687 58.006 56.400 -0.135 0.000 0.801 178 E CB -0.042 29.533 29.700 -0.210 0.000 0.750 178 E HN 0.694 nan 8.360 nan 0.000 0.452 179 T N -2.280 112.089 114.554 -0.308 0.000 3.067 179 T HA 0.023 4.414 4.350 0.069 0.000 0.257 179 T C 1.778 176.344 174.700 -0.224 0.000 1.105 179 T CA 0.914 62.641 62.100 -0.621 0.000 1.104 179 T CB 0.274 68.733 68.868 -0.681 0.000 0.925 179 T HN 0.146 nan 8.240 nan 0.000 0.498 180 S N -0.535 115.113 115.700 -0.088 0.000 2.631 180 S HA 0.520 5.031 4.470 0.069 0.000 0.246 180 S C 1.840 176.443 174.600 0.004 0.000 1.068 180 S CA 0.633 58.826 58.200 -0.012 0.000 0.995 180 S CB 0.049 63.247 63.200 -0.003 0.000 0.944 180 S HN 1.185 nan 8.310 nan 0.000 0.529 181 G N 1.861 110.657 108.800 -0.008 0.000 2.175 181 G HA2 -0.217 3.784 3.960 0.069 0.000 0.244 181 G HA3 -0.217 3.784 3.960 0.069 0.000 0.244 181 G C -0.176 174.722 174.900 -0.003 0.000 0.982 181 G CA 0.370 45.469 45.100 -0.001 0.000 0.641 181 G HN 1.133 nan 8.290 nan 0.000 0.527 182 N N -1.629 117.070 118.700 -0.003 0.000 3.344 182 N HA 0.679 5.461 4.740 0.069 0.000 0.296 182 N C 0.078 175.590 175.510 0.003 0.000 1.571 182 N CA -0.939 52.110 53.050 -0.001 0.000 0.844 182 N CB 0.377 38.866 38.487 0.003 0.000 1.718 182 N HN 0.058 nan 8.380 nan 0.000 0.589 183 L N -0.768 120.458 121.223 0.005 0.000 3.168 183 L HA 0.408 4.790 4.340 0.069 0.000 0.277 183 L C -0.866 176.018 176.870 0.023 0.000 1.245 183 L CA -0.469 54.378 54.840 0.011 0.000 1.035 183 L CB -0.097 41.958 42.059 -0.005 0.000 1.399 183 L HN 0.468 nan 8.230 nan 0.000 0.580 184 D N 1.800 122.215 120.400 0.025 0.000 2.472 184 D HA 0.233 4.914 4.640 0.069 0.000 0.248 184 D C 1.339 177.676 176.300 0.063 0.000 1.174 184 D CA 1.400 55.421 54.000 0.035 0.000 0.883 184 D CB 1.052 41.866 40.800 0.023 0.000 1.149 184 D HN 0.373 nan 8.370 nan 0.000 0.488 185 G N 2.050 110.909 108.800 0.098 0.000 2.143 185 G HA2 -0.334 3.667 3.960 0.069 0.000 0.248 185 G HA3 -0.334 3.667 3.960 0.069 0.000 0.248 185 G C 0.979 175.998 174.900 0.198 0.000 0.991 185 G CA 0.472 45.680 45.100 0.179 0.000 0.689 185 G HN 0.516 nan 8.290 nan 0.000 0.522 186 L N 0.514 121.809 121.223 0.122 0.000 2.083 186 L HA 0.124 4.506 4.340 0.069 0.000 0.209 186 L C 2.259 179.206 176.870 0.128 0.000 1.083 186 L CA 2.841 57.750 54.840 0.116 0.000 0.752 186 L CB -0.382 41.695 42.059 0.029 0.000 0.899 186 L HN 0.468 nan 8.230 nan 0.000 0.433 187 E N -1.717 118.476 120.200 -0.012 0.000 2.515 187 E HA -0.170 4.221 4.350 0.069 0.000 0.201 187 E C 0.463 176.983 176.600 -0.134 0.000 1.071 187 E CA 0.568 56.856 56.400 -0.186 0.000 0.880 187 E CB -0.034 29.459 29.700 -0.346 0.000 0.828 187 E HN 0.622 nan 8.360 nan 0.000 0.540 188 Y N -0.814 119.637 120.300 0.252 0.000 2.612 188 Y HA 0.178 4.766 4.550 0.064 0.000 0.250 188 Y C 1.458 177.468 175.900 0.183 0.000 1.175 188 Y CA -0.328 57.902 58.100 0.217 0.000 1.205 188 Y CB 0.719 39.255 38.460 0.127 0.000 1.201 188 Y HN -0.185 nan 8.280 nan 0.000 0.532 189 K N 0.242 120.846 120.400 0.341 0.000 2.418 189 K HA 0.149 4.510 4.320 0.069 0.000 0.195 189 K C -0.252 176.396 176.600 0.079 0.000 1.035 189 K CA 0.380 56.807 56.287 0.233 0.000 1.003 189 K CB 0.442 33.121 32.500 0.298 0.000 0.793 189 K HN 0.143 nan 8.250 nan 0.000 0.494 190 L N 0.859 121.925 121.223 -0.261 0.000 2.427 190 L HA 0.272 4.653 4.340 0.069 0.000 0.264 190 L C -1.365 175.288 176.870 -0.361 0.000 0.989 190 L CA -0.693 53.849 54.840 -0.495 0.000 0.865 190 L CB 1.031 42.479 42.059 -1.019 0.000 1.209 190 L HN 0.004 nan 8.230 nan 0.000 0.430 191 H N 2.373 121.226 119.070 -0.362 0.000 2.527 191 H HA 0.304 4.898 4.556 0.065 0.000 0.321 191 H C -0.654 174.309 175.328 -0.608 0.000 1.087 191 H CA -0.147 55.668 56.048 -0.388 0.000 1.337 191 H CB 0.986 30.461 29.762 -0.478 0.000 1.440 191 H HN 0.611 nan 8.280 nan 0.000 0.490 192 D N 4.273 124.339 120.400 -0.557 0.000 2.346 192 D HA -0.047 4.634 4.640 0.069 0.000 0.260 192 D C -0.427 175.857 176.300 -0.026 0.000 1.252 192 D CA 0.125 53.872 54.000 -0.421 0.000 0.895 192 D CB 0.008 40.589 40.800 -0.364 0.000 1.097 192 D HN 0.431 nan 8.370 nan 0.000 0.489 193 F N 1.720 121.672 119.950 0.003 0.000 2.639 193 F HA 0.323 4.893 4.527 0.073 0.000 0.302 193 F C 2.098 177.933 175.800 0.058 0.000 1.097 193 F CA -0.674 57.367 58.000 0.069 0.000 1.294 193 F CB 0.440 39.478 39.000 0.063 0.000 1.027 193 F HN 0.509 nan 8.300 nan 0.000 0.550 194 G N -1.702 107.209 108.800 0.185 0.000 2.920 194 G HA2 -0.182 3.820 3.960 0.069 0.000 0.208 194 G HA3 -0.182 3.820 3.960 0.069 0.000 0.208 194 G C 1.496 176.505 174.900 0.182 0.000 1.159 194 G CA -0.006 45.175 45.100 0.136 0.000 0.784 194 G HN 0.397 nan 8.290 nan 0.000 0.535 195 Y N 1.751 122.092 120.300 0.068 0.000 2.114 195 Y HA -0.296 4.295 4.550 0.068 0.000 0.282 195 Y C 3.032 178.954 175.900 0.037 0.000 1.165 195 Y CA 1.713 59.841 58.100 0.047 0.000 1.148 195 Y CB 0.219 38.707 38.460 0.048 0.000 0.972 195 Y HN 0.319 nan 8.280 nan 0.000 0.504 196 R N -0.396 120.228 120.500 0.206 0.000 2.193 196 R HA 0.022 4.403 4.340 0.069 0.000 0.213 196 R C 1.850 178.201 176.300 0.085 0.000 1.055 196 R CA 1.223 57.371 56.100 0.079 0.000 0.995 196 R CB -0.593 29.718 30.300 0.019 0.000 0.893 196 R HN 0.290 nan 8.270 nan 0.000 0.459 197 G N 1.683 110.548 108.800 0.108 0.000 3.088 197 G HA2 0.170 4.172 3.960 0.069 0.000 0.217 197 G HA3 0.170 4.172 3.960 0.069 0.000 0.217 197 G C 0.547 175.497 174.900 0.084 0.000 1.159 197 G CA 0.232 45.383 45.100 0.085 0.000 0.760 197 G HN 0.199 nan 8.290 nan 0.000 0.550 198 V N -1.360 118.614 119.914 0.100 0.000 3.134 198 V HA 0.588 4.750 4.120 0.069 0.000 0.313 198 V C 1.390 177.516 176.094 0.053 0.000 1.069 198 V CA 0.283 62.628 62.300 0.075 0.000 1.048 198 V CB 1.333 33.203 31.823 0.078 0.000 1.119 198 V HN 0.127 nan 8.190 nan 0.000 0.461 199 S N 0.000 115.709 115.700 0.015 0.000 2.496 199 S HA 0.193 4.704 4.470 0.069 0.000 0.224 199 S C 0.774 175.381 174.600 0.012 0.000 0.996 199 S CA 0.384 58.587 58.200 0.006 0.000 0.927 199 S CB -0.628 62.561 63.200 -0.018 0.000 0.774 199 S HN 1.752 nan 8.310 nan 0.000 0.524 200 S N -0.981 114.731 115.700 0.020 0.000 2.611 200 S HA 0.407 4.919 4.470 0.069 0.000 0.268 200 S C 0.034 174.680 174.600 0.076 0.000 1.156 200 S CA -0.880 57.342 58.200 0.038 0.000 0.817 200 S CB 0.997 64.206 63.200 0.014 0.000 1.122 200 S HN -0.088 nan 8.310 nan 0.000 0.466 201 Q N 1.043 120.902 119.800 0.099 0.000 2.096 201 Q HA -0.138 4.243 4.340 0.069 0.000 0.204 201 Q C 1.775 177.816 176.000 0.068 0.000 0.982 201 Q CA 2.118 58.004 55.803 0.138 0.000 0.850 201 Q CB -0.476 28.340 28.738 0.130 0.000 0.901 201 Q HN 0.917 nan 8.270 nan 0.000 0.422 202 E N -0.191 120.038 120.200 0.048 0.000 2.072 202 E HA -0.134 4.257 4.350 0.069 0.000 0.191 202 E C 1.772 178.354 176.600 -0.030 0.000 0.985 202 E CA 1.391 57.809 56.400 0.030 0.000 0.801 202 E CB 0.228 29.971 29.700 0.072 0.000 0.750 202 E HN 0.262 nan 8.360 nan 0.000 0.452 203 T N 0.716 115.239 114.554 -0.051 0.000 2.684 203 T HA -0.185 4.206 4.350 0.069 0.000 0.267 203 T C 1.825 176.513 174.700 -0.020 0.000 1.036 203 T CA 1.342 63.380 62.100 -0.104 0.000 1.148 203 T CB -0.354 68.393 68.868 -0.201 0.000 0.863 203 T HN 0.340 nan 8.240 nan 0.000 0.436 204 A N 1.399 124.198 122.820 -0.036 0.000 1.873 204 A HA -0.033 4.329 4.320 0.069 0.000 0.218 204 A C 2.622 180.089 177.584 -0.195 0.000 1.193 204 A CA 2.197 54.157 52.037 -0.128 0.000 0.629 204 A CB -1.467 17.393 19.000 -0.234 0.000 0.826 204 A HN 0.532 nan 8.150 nan 0.000 0.447 205 G N -0.356 108.337 108.800 -0.177 0.000 2.421 205 G HA2 -0.148 3.854 3.960 0.069 0.000 0.216 205 G HA3 -0.148 3.854 3.960 0.069 0.000 0.216 205 G C 1.547 176.338 174.900 -0.181 0.000 1.171 205 G CA 1.091 46.084 45.100 -0.178 0.000 0.775 205 G HN 0.489 nan 8.290 nan 0.000 0.543 206 I N 1.249 121.702 120.570 -0.196 0.000 2.142 206 I HA -0.096 4.115 4.170 0.069 0.000 0.240 206 I C 3.113 179.177 176.117 -0.087 0.000 1.078 206 I CA 1.211 62.372 61.300 -0.232 0.000 1.343 206 I CB -0.552 37.321 38.000 -0.212 0.000 1.046 206 I HN 0.238 nan 8.210 nan 0.000 0.405 207 G N 0.322 109.147 108.800 0.041 0.000 2.421 207 G HA2 -0.235 3.766 3.960 0.069 0.000 0.216 207 G HA3 -0.235 3.766 3.960 0.069 0.000 0.216 207 G C 1.866 176.717 174.900 -0.083 0.000 1.171 207 G CA 0.839 45.901 45.100 -0.063 0.000 0.775 207 G HN 0.497 nan 8.290 nan 0.000 0.543 208 A N 1.297 124.067 122.820 -0.084 0.000 1.908 208 A HA -0.076 4.285 4.320 0.069 0.000 0.218 208 A C 2.756 180.301 177.584 -0.064 0.000 1.181 208 A CA 2.771 54.756 52.037 -0.087 0.000 0.627 208 A CB -0.790 18.115 19.000 -0.157 0.000 0.818 208 A HN 0.800 nan 8.150 nan 0.000 0.445 209 S N -0.078 115.568 115.700 -0.091 0.000 2.402 209 S HA 0.111 4.622 4.470 0.069 0.000 0.229 209 S C 2.039 176.604 174.600 -0.058 0.000 1.021 209 S CA 1.216 59.354 58.200 -0.103 0.000 0.974 209 S CB -0.555 62.599 63.200 -0.075 0.000 0.800 209 S HN 0.875 nan 8.310 nan 0.000 0.484 210 A N 1.572 124.376 122.820 -0.027 0.000 1.930 210 A HA -0.060 4.301 4.320 0.069 0.000 0.217 210 A C 2.083 179.580 177.584 -0.146 0.000 1.175 210 A CA 1.705 53.651 52.037 -0.150 0.000 0.627 210 A CB -1.266 17.695 19.000 -0.065 0.000 0.815 210 A HN 0.759 nan 8.150 nan 0.000 0.443 211 H N -0.103 118.887 119.070 -0.134 0.000 2.389 211 H HA 0.076 4.670 4.556 0.064 0.000 0.299 211 H C 1.468 176.787 175.328 -0.015 0.000 1.081 211 H CA 1.580 57.589 56.048 -0.065 0.000 1.345 211 H CB -0.272 29.441 29.762 -0.081 0.000 1.393 211 H HN 0.354 nan 8.280 nan 0.000 0.520 212 L N -0.126 121.039 121.223 -0.096 0.000 2.622 212 L HA -0.056 4.325 4.340 0.069 0.000 0.233 212 L C 1.970 178.829 176.870 -0.018 0.000 1.156 212 L CA 0.031 54.834 54.840 -0.062 0.000 0.866 212 L CB 0.005 42.063 42.059 -0.001 0.000 0.980 212 L HN 0.219 nan 8.230 nan 0.000 0.448 213 V N 0.267 120.051 119.914 -0.217 0.000 2.515 213 V HA -0.244 3.917 4.120 0.069 0.000 0.250 213 V C 1.537 177.372 176.094 -0.432 0.000 1.058 213 V CA 2.157 64.140 62.300 -0.528 0.000 1.064 213 V CB -0.501 30.929 31.823 -0.654 0.000 0.675 213 V HN 0.625 nan 8.190 nan 0.000 0.461 214 N N -2.193 116.271 118.700 -0.392 0.000 2.463 214 N HA 0.246 5.027 4.740 0.069 0.000 0.183 214 N C -0.011 175.021 175.510 -0.796 0.000 1.064 214 N CA 0.096 52.824 53.050 -0.536 0.000 0.879 214 N CB 0.438 38.652 38.487 -0.455 0.000 1.148 214 N HN 0.370 nan 8.380 nan 0.000 0.451 215 F N -0.128 119.533 119.950 -0.482 0.000 2.664 215 F HA 0.487 5.053 4.527 0.065 0.000 0.329 215 F C 0.857 176.418 175.800 -0.397 0.000 1.090 215 F CA -0.924 56.796 58.000 -0.467 0.000 0.978 215 F CB 1.889 40.555 39.000 -0.556 0.000 1.378 215 F HN -0.370 nan 8.300 nan 0.000 0.495 216 K N -0.098 120.182 120.400 -0.200 0.000 2.402 216 K HA 0.261 4.622 4.320 0.069 0.000 0.203 216 K C 0.308 176.915 176.600 0.013 0.000 1.077 216 K CA -0.080 56.100 56.287 -0.179 0.000 1.051 216 K CB 1.266 33.554 32.500 -0.353 0.000 0.907 216 K HN 0.680 nan 8.250 nan 0.000 0.554 217 G N 0.832 109.642 108.800 0.016 0.000 2.319 217 G HA2 0.339 4.341 3.960 0.069 0.000 0.308 217 G HA3 0.339 4.341 3.960 0.069 0.000 0.308 217 G C -0.905 173.681 174.900 -0.523 0.000 1.117 217 G CA 0.042 45.140 45.100 -0.003 0.000 0.903 217 G HN -0.087 nan 8.290 nan 0.000 0.436 218 T N 0.953 115.203 114.554 -0.506 0.000 2.956 218 T HA 0.364 4.755 4.350 0.069 0.000 0.312 218 T C -0.517 174.166 174.700 -0.029 0.000 1.151 218 T CA -0.512 61.357 62.100 -0.386 0.000 1.024 218 T CB 1.917 70.706 68.868 -0.133 0.000 1.140 218 T HN 0.278 nan 8.240 nan 0.000 0.473 219 D N 1.311 121.801 120.400 0.150 0.000 2.407 219 D HA 0.200 4.881 4.640 0.069 0.000 0.208 219 D C 0.378 176.807 176.300 0.215 0.000 1.083 219 D CA 0.386 54.563 54.000 0.295 0.000 0.844 219 D CB 0.582 41.651 40.800 0.449 0.000 0.967 219 D HN 0.476 nan 8.370 nan 0.000 0.506 220 T N 1.000 115.600 114.554 0.076 0.000 3.414 220 T HA 0.102 4.493 4.350 0.069 0.000 0.304 220 T C 1.750 176.347 174.700 -0.172 0.000 1.241 220 T CA -0.191 61.836 62.100 -0.122 0.000 1.076 220 T CB 0.934 69.637 68.868 -0.276 0.000 1.134 220 T HN -0.180 nan 8.240 nan 0.000 0.759 221 V N 2.265 122.171 119.914 -0.012 0.000 2.324 221 V HA -0.284 3.878 4.120 0.069 0.000 0.250 221 V C 2.838 178.887 176.094 -0.074 0.000 1.060 221 V CA 2.216 64.521 62.300 0.008 0.000 1.042 221 V CB -1.143 30.753 31.823 0.122 0.000 0.650 221 V HN 0.905 nan 8.190 nan 0.000 0.450 222 A N 0.746 123.467 122.820 -0.165 0.000 1.958 222 A HA -0.230 4.132 4.320 0.069 0.000 0.221 222 A C 2.410 179.907 177.584 -0.146 0.000 1.178 222 A CA 2.209 54.154 52.037 -0.154 0.000 0.642 222 A CB -1.272 17.566 19.000 -0.270 0.000 0.816 222 A HN 0.591 nan 8.150 nan 0.000 0.453 223 G N -0.465 108.220 108.800 -0.193 0.000 2.448 223 G HA2 -0.115 3.887 3.960 0.069 0.000 0.219 223 G HA3 -0.115 3.887 3.960 0.069 0.000 0.219 223 G C 1.479 176.280 174.900 -0.165 0.000 1.127 223 G CA 0.975 45.972 45.100 -0.172 0.000 0.766 223 G HN 0.487 nan 8.290 nan 0.000 0.552 224 L N 0.398 121.535 121.223 -0.144 0.000 2.056 224 L HA 0.010 4.391 4.340 0.069 0.000 0.207 224 L C 3.348 180.158 176.870 -0.101 0.000 1.078 224 L CA 1.019 55.772 54.840 -0.145 0.000 0.749 224 L CB -0.508 41.479 42.059 -0.121 0.000 0.901 224 L HN 0.281 nan 8.230 nan 0.000 0.433 225 A N 0.137 122.924 122.820 -0.055 0.000 1.930 225 A HA -0.171 4.191 4.320 0.069 0.000 0.217 225 A C 2.313 179.914 177.584 0.028 0.000 1.175 225 A CA 1.259 53.285 52.037 -0.017 0.000 0.627 225 A CB -0.601 18.401 19.000 0.004 0.000 0.815 225 A HN 0.382 nan 8.150 nan 0.000 0.443 226 L N -0.487 120.769 121.223 0.055 0.000 2.017 226 L HA -0.142 4.239 4.340 0.069 0.000 0.208 226 L C 2.355 179.367 176.870 0.237 0.000 1.073 226 L CA 1.590 56.551 54.840 0.201 0.000 0.745 226 L CB -0.235 41.859 42.059 0.058 0.000 0.894 226 L HN 0.418 nan 8.230 nan 0.000 0.432 227 I N -0.160 120.425 120.570 0.026 0.000 2.226 227 I HA -0.338 3.874 4.170 0.069 0.000 0.245 227 I C 2.613 178.753 176.117 0.038 0.000 1.100 227 I CA 1.488 62.763 61.300 -0.042 0.000 1.374 227 I CB -0.334 37.349 38.000 -0.529 0.000 1.057 227 I HN 0.278 nan 8.210 nan 0.000 0.413 228 K N 1.304 121.690 120.400 -0.024 0.000 2.063 228 K HA -0.270 4.091 4.320 0.069 0.000 0.208 228 K C 2.226 178.798 176.600 -0.046 0.000 1.048 228 K CA 1.770 58.041 56.287 -0.027 0.000 0.928 228 K CB -0.025 32.447 32.500 -0.046 0.000 0.713 228 K HN 0.123 nan 8.250 nan 0.000 0.442 229 K N -0.970 119.380 120.400 -0.084 0.000 2.116 229 K HA -0.109 4.252 4.320 0.069 0.000 0.203 229 K C 1.337 177.666 176.600 -0.451 0.000 1.052 229 K CA 1.262 57.363 56.287 -0.310 0.000 0.952 229 K CB 0.084 32.305 32.500 -0.465 0.000 0.729 229 K HN 0.174 nan 8.250 nan 0.000 0.446 230 Y N -2.152 118.121 120.300 -0.046 0.000 2.462 230 Y HA 0.134 4.725 4.550 0.069 0.000 0.253 230 Y C 0.866 176.533 175.900 -0.389 0.000 1.095 230 Y CA 0.055 58.024 58.100 -0.218 0.000 1.283 230 Y CB 0.595 38.923 38.460 -0.220 0.000 1.138 230 Y HN 0.020 nan 8.280 nan 0.000 0.522 231 Y N -0.977 119.436 120.300 0.188 0.000 2.921 231 Y HA 0.523 5.116 4.550 0.071 0.000 0.246 231 Y C 1.271 177.263 175.900 0.154 0.000 1.030 231 Y CA 0.096 58.325 58.100 0.216 0.000 1.338 231 Y CB 0.251 38.920 38.460 0.349 0.000 1.493 231 Y HN -0.137 nan 8.280 nan 0.000 0.452 232 G N 0.604 109.561 108.800 0.261 0.000 2.721 232 G HA2 0.129 4.131 3.960 0.069 0.000 0.686 232 G HA3 0.129 4.131 3.960 0.069 0.000 0.686 232 G C -0.621 174.392 174.900 0.188 0.000 1.236 232 G CA -0.143 45.049 45.100 0.153 0.000 0.786 232 G HN 0.355 nan 8.290 nan 0.000 0.616 233 T N 0.384 115.010 114.554 0.120 0.000 2.923 233 T HA 0.581 4.972 4.350 0.069 0.000 0.311 233 T C 1.228 175.978 174.700 0.083 0.000 1.183 233 T CA 0.229 62.405 62.100 0.127 0.000 1.020 233 T CB 1.684 70.634 68.868 0.137 0.000 1.165 233 T HN 0.765 nan 8.240 nan 0.000 0.482 234 K N 1.342 121.792 120.400 0.082 0.000 2.097 234 K HA -0.030 4.331 4.320 0.069 0.000 0.206 234 K C 0.103 176.741 176.600 0.063 0.000 1.049 234 K CA 1.024 57.349 56.287 0.064 0.000 0.933 234 K CB 0.020 32.556 32.500 0.060 0.000 0.717 234 K HN 0.613 nan 8.250 nan 0.000 0.442 235 D N 0.364 120.809 120.400 0.077 0.000 2.362 235 D HA 0.004 4.685 4.640 0.069 0.000 0.242 235 D C -1.651 174.686 176.300 0.061 0.000 1.132 235 D CA -1.389 52.663 54.000 0.088 0.000 0.907 235 D CB 0.843 41.722 40.800 0.132 0.000 1.195 235 D HN -0.009 nan 8.370 nan 0.000 0.429 236 P HA -0.126 nan 4.420 nan 0.000 0.216 236 P C 0.184 177.477 177.300 -0.011 0.000 1.153 236 P CA 1.154 64.275 63.100 0.035 0.000 0.858 236 P CB 0.247 31.981 31.700 0.057 0.000 0.789 237 V N -6.139 113.745 119.914 -0.049 0.000 2.876 237 V HA 0.482 4.644 4.120 0.069 0.000 0.312 237 V C -2.134 173.809 176.094 -0.251 0.000 1.085 237 V CA -2.020 60.171 62.300 -0.183 0.000 0.945 237 V CB 1.815 33.468 31.823 -0.283 0.000 1.017 237 V HN -0.199 nan 8.190 nan 0.000 0.428 238 P HA 0.249 nan 4.420 nan 0.000 0.235 238 P C 0.599 177.746 177.300 -0.254 0.000 1.177 238 P CA 0.946 63.938 63.100 -0.179 0.000 0.785 238 P CB 0.549 32.105 31.700 -0.239 0.000 0.885 239 G N -1.151 107.386 108.800 -0.438 0.000 2.612 239 G HA2 0.604 4.605 3.960 0.069 0.000 0.298 239 G HA3 0.604 4.605 3.960 0.069 0.000 0.298 239 G C -1.964 172.617 174.900 -0.532 0.000 1.336 239 G CA -0.389 44.502 45.100 -0.348 0.000 0.953 239 G HN -0.112 nan 8.290 nan 0.000 0.482 240 Y N -0.422 119.948 120.300 0.117 0.000 2.605 240 Y HA 0.811 5.401 4.550 0.067 0.000 0.343 240 Y C 0.497 176.522 175.900 0.209 0.000 1.036 240 Y CA -0.783 57.414 58.100 0.161 0.000 1.065 240 Y CB 2.734 41.324 38.460 0.217 0.000 1.288 240 Y HN 0.708 nan 8.280 nan 0.000 0.481 241 S N 0.156 116.069 115.700 0.354 0.000 2.671 241 S HA 0.864 5.375 4.470 0.069 0.000 0.277 241 S C -1.695 173.001 174.600 0.160 0.000 1.165 241 S CA -0.537 57.856 58.200 0.320 0.000 0.822 241 S CB 1.168 64.545 63.200 0.294 0.000 1.150 241 S HN 0.836 nan 8.310 nan 0.000 0.479 242 V N 0.024 119.975 119.914 0.062 0.000 3.001 242 V HA 0.810 4.971 4.120 0.069 0.000 0.314 242 V C -2.903 173.105 176.094 -0.144 0.000 1.099 242 V CA -2.455 59.814 62.300 -0.053 0.000 0.989 242 V CB 0.479 32.248 31.823 -0.091 0.000 1.040 242 V HN 0.728 nan 8.190 nan 0.000 0.434 243 P HA 0.550 nan 4.420 nan 0.000 0.266 243 P C -0.539 176.533 177.300 -0.382 0.000 1.195 243 P CA 0.462 63.250 63.100 -0.520 0.000 0.768 243 P CB 0.658 31.622 31.700 -1.226 0.000 0.838 244 A N 1.786 124.425 122.820 -0.302 0.000 2.574 244 A HA 0.727 5.089 4.320 0.069 0.000 0.297 244 A C -0.958 176.540 177.584 -0.143 0.000 1.062 244 A CA -0.538 51.376 52.037 -0.205 0.000 0.686 244 A CB 1.427 20.320 19.000 -0.179 0.000 1.285 244 A HN 0.537 nan 8.150 nan 0.000 0.403 245 A N 0.813 123.570 122.820 -0.106 0.000 2.286 245 A HA 0.717 5.078 4.320 0.069 0.000 0.286 245 A C 0.157 177.671 177.584 -0.117 0.000 1.097 245 A CA 0.152 52.159 52.037 -0.051 0.000 0.821 245 A CB 0.256 19.259 19.000 0.005 0.000 1.076 245 A HN 1.056 nan 8.150 nan 0.000 0.490 246 E N -0.037 120.113 120.200 -0.083 0.000 2.370 246 E HA 0.413 4.804 4.350 0.069 0.000 0.259 246 E C -0.198 176.332 176.600 -0.116 0.000 0.947 246 E CA -0.830 55.486 56.400 -0.140 0.000 0.809 246 E CB 0.436 30.096 29.700 -0.067 0.000 1.300 246 E HN 0.638 nan 8.360 nan 0.000 0.419 247 H N 0.201 119.263 119.070 -0.014 0.000 2.421 247 H HA -0.121 4.475 4.556 0.067 0.000 0.298 247 H C 2.188 177.532 175.328 0.027 0.000 1.087 247 H CA 2.045 58.086 56.048 -0.012 0.000 1.330 247 H CB 0.089 29.819 29.762 -0.052 0.000 1.388 247 H HN 0.653 nan 8.280 nan 0.000 0.526 248 S N 0.723 116.504 115.700 0.136 0.000 2.383 248 S HA -0.140 4.371 4.470 0.069 0.000 0.227 248 S C 2.291 176.979 174.600 0.146 0.000 1.026 248 S CA 1.638 59.905 58.200 0.113 0.000 0.981 248 S CB -0.701 62.542 63.200 0.073 0.000 0.818 248 S HN 0.557 nan 8.310 nan 0.000 0.472 249 T N -0.307 114.342 114.554 0.158 0.000 3.055 249 T HA 0.214 4.606 4.350 0.069 0.000 0.265 249 T C 1.685 176.615 174.700 0.383 0.000 1.111 249 T CA 0.467 62.717 62.100 0.250 0.000 1.118 249 T CB -0.338 68.664 68.868 0.222 0.000 0.909 249 T HN 0.335 nan 8.240 nan 0.000 0.501 250 I N 2.705 123.441 120.570 0.277 0.000 2.512 250 I HA 0.015 4.226 4.170 0.069 0.000 0.247 250 I C 2.921 179.241 176.117 0.339 0.000 1.094 250 I CA 1.642 63.105 61.300 0.271 0.000 1.427 250 I CB -1.686 36.426 38.000 0.188 0.000 1.149 250 I HN 0.455 nan 8.210 nan 0.000 0.438 251 T N -0.257 114.451 114.554 0.258 0.000 2.995 251 T HA 0.073 4.464 4.350 0.069 0.000 0.269 251 T C 1.933 176.789 174.700 0.259 0.000 1.091 251 T CA 0.874 63.136 62.100 0.270 0.000 1.128 251 T CB -0.342 68.623 68.868 0.162 0.000 0.891 251 T HN 0.222 nan 8.240 nan 0.000 0.492 252 A N 0.496 123.454 122.820 0.230 0.000 2.070 252 A HA 0.069 4.430 4.320 0.069 0.000 0.220 252 A C 1.813 179.422 177.584 0.041 0.000 1.159 252 A CA 0.759 52.853 52.037 0.094 0.000 0.656 252 A CB -1.157 17.847 19.000 0.007 0.000 0.800 252 A HN 0.743 nan 8.150 nan 0.000 0.453 253 W N -0.587 120.742 121.300 0.048 0.000 2.678 253 W HA 0.367 5.069 4.660 0.070 0.000 0.256 253 W C 1.327 177.900 176.519 0.091 0.000 1.280 253 W CA 1.231 58.594 57.345 0.029 0.000 1.345 253 W CB -0.310 29.171 29.460 0.035 0.000 1.118 253 W HN 0.633 nan 8.180 nan 0.000 0.629 254 G N 0.191 109.171 108.800 0.301 0.000 2.675 254 G HA2 -0.284 3.718 3.960 0.069 0.000 0.686 254 G HA3 -0.284 3.718 3.960 0.069 0.000 0.686 254 G C 0.433 175.414 174.900 0.134 0.000 1.215 254 G CA -0.179 45.052 45.100 0.218 0.000 0.777 254 G HN 0.134 nan 8.290 nan 0.000 0.638 255 K N -0.219 120.145 120.400 -0.060 0.000 2.103 255 K HA -0.127 4.235 4.320 0.069 0.000 0.207 255 K C 1.584 177.894 176.600 -0.484 0.000 1.048 255 K CA 2.086 58.061 56.287 -0.520 0.000 0.930 255 K CB -0.090 32.034 32.500 -0.626 0.000 0.716 255 K HN 0.462 nan 8.250 nan 0.000 0.444 256 D N -0.335 119.853 120.400 -0.354 0.000 2.378 256 D HA -0.060 4.622 4.640 0.069 0.000 0.227 256 D C 0.109 176.050 176.300 -0.597 0.000 1.012 256 D CA 0.915 54.627 54.000 -0.481 0.000 0.905 256 D CB 0.079 40.563 40.800 -0.526 0.000 0.895 256 D HN 0.458 nan 8.370 nan 0.000 0.532 257 H N -0.772 118.239 119.070 -0.098 0.000 2.492 257 H HA 0.173 4.770 4.556 0.069 0.000 0.264 257 H C 1.274 176.508 175.328 -0.158 0.000 1.150 257 H CA -0.223 55.790 56.048 -0.058 0.000 0.962 257 H CB 0.705 30.530 29.762 0.106 0.000 1.766 257 H HN 0.010 nan 8.280 nan 0.000 0.589 258 E N 1.687 121.764 120.200 -0.205 0.000 2.077 258 E HA -0.208 4.184 4.350 0.069 0.000 0.193 258 E C 2.076 178.208 176.600 -0.780 0.000 0.989 258 E CA 0.986 57.116 56.400 -0.451 0.000 0.800 258 E CB 0.280 29.710 29.700 -0.450 0.000 0.746 258 E HN 0.363 nan 8.360 nan 0.000 0.452 259 K N 0.326 120.392 120.400 -0.555 0.000 2.063 259 K HA -0.199 4.162 4.320 0.069 0.000 0.208 259 K C 1.589 178.006 176.600 -0.304 0.000 1.048 259 K CA 1.872 57.897 56.287 -0.437 0.000 0.928 259 K CB -0.021 32.329 32.500 -0.249 0.000 0.713 259 K HN 0.117 nan 8.250 nan 0.000 0.442 260 D N 0.361 120.607 120.400 -0.255 0.000 2.144 260 D HA -0.143 4.538 4.640 0.069 0.000 0.199 260 D C 1.786 177.628 176.300 -0.763 0.000 0.984 260 D CA 1.307 55.128 54.000 -0.297 0.000 0.834 260 D CB -0.210 40.543 40.800 -0.077 0.000 0.955 260 D HN 0.359 nan 8.370 nan 0.000 0.465 261 A N 0.786 122.985 122.820 -1.036 0.000 1.877 261 A HA -0.179 4.183 4.320 0.069 0.000 0.216 261 A C 2.040 179.403 177.584 -0.369 0.000 1.186 261 A CA 0.979 52.199 52.037 -1.361 0.000 0.620 261 A CB -0.851 17.568 19.000 -0.967 0.000 0.822 261 A HN 0.074 nan 8.150 nan 0.000 0.443 262 F N 0.033 119.746 119.950 -0.395 0.000 2.069 262 F HA -0.144 4.425 4.527 0.071 0.000 0.298 262 F C 2.394 178.139 175.800 -0.091 0.000 1.113 262 F CA 1.296 59.160 58.000 -0.227 0.000 1.214 262 F CB -1.176 37.476 39.000 -0.580 0.000 0.978 262 F HN 0.497 nan 8.300 nan 0.000 0.474 263 E N -0.887 119.342 120.200 0.048 0.000 2.058 263 E HA -0.273 4.119 4.350 0.069 0.000 0.194 263 E C 2.448 179.074 176.600 0.042 0.000 0.997 263 E CA 1.398 57.824 56.400 0.042 0.000 0.801 263 E CB -0.447 29.257 29.700 0.007 0.000 0.746 263 E HN 0.449 nan 8.360 nan 0.000 0.450 264 H N 0.429 119.430 119.070 -0.115 0.000 2.353 264 H HA -0.123 4.475 4.556 0.068 0.000 0.300 264 H C 2.149 177.495 175.328 0.030 0.000 1.090 264 H CA 1.871 57.893 56.048 -0.044 0.000 1.327 264 H CB -0.030 29.681 29.762 -0.085 0.000 1.383 264 H HN 0.264 nan 8.280 nan 0.000 0.508 265 I N 0.878 121.519 120.570 0.117 0.000 2.286 265 I HA -0.218 3.994 4.170 0.069 0.000 0.245 265 I C 2.858 179.069 176.117 0.156 0.000 1.104 265 I CA 1.097 62.507 61.300 0.183 0.000 1.397 265 I CB -0.161 38.003 38.000 0.274 0.000 1.072 265 I HN 0.157 nan 8.210 nan 0.000 0.417 266 V N -2.476 117.516 119.914 0.130 0.000 2.626 266 V HA -0.165 3.997 4.120 0.069 0.000 0.252 266 V C 2.163 178.271 176.094 0.023 0.000 1.067 266 V CA 2.073 64.432 62.300 0.098 0.000 1.081 266 V CB -1.355 30.535 31.823 0.112 0.000 0.686 266 V HN 0.350 nan 8.190 nan 0.000 0.468 267 T N -0.431 114.102 114.554 -0.035 0.000 2.896 267 T HA -0.087 4.305 4.350 0.069 0.000 0.263 267 T C 2.023 176.613 174.700 -0.182 0.000 1.050 267 T CA 1.431 63.478 62.100 -0.087 0.000 1.140 267 T CB -0.263 68.559 68.868 -0.078 0.000 0.877 267 T HN 0.457 nan 8.240 nan 0.000 0.457 268 Q N 0.375 119.981 119.800 -0.324 0.000 2.096 268 Q HA -0.005 4.376 4.340 0.069 0.000 0.204 268 Q C 0.310 175.908 176.000 -0.671 0.000 0.982 268 Q CA 1.158 56.610 55.803 -0.585 0.000 0.850 268 Q CB -0.220 28.014 28.738 -0.840 0.000 0.901 268 Q HN 0.547 nan 8.270 nan 0.000 0.422 269 F N 0.460 120.380 119.950 -0.051 0.000 2.550 269 F HA 0.177 4.746 4.527 0.071 0.000 0.312 269 F C 1.282 177.056 175.800 -0.043 0.000 1.256 269 F CA -0.391 57.586 58.000 -0.037 0.000 1.182 269 F CB 0.240 39.221 39.000 -0.031 0.000 1.383 269 F HN -0.072 nan 8.300 nan 0.000 0.541 270 S N -1.938 113.785 115.700 0.039 0.000 2.436 270 S HA -0.065 4.446 4.470 0.069 0.000 0.228 270 S C 1.511 176.123 174.600 0.019 0.000 1.014 270 S CA 0.834 59.042 58.200 0.014 0.000 0.950 270 S CB -0.076 63.112 63.200 -0.020 0.000 0.784 270 S HN 0.268 nan 8.310 nan 0.000 0.504 271 S N 0.803 116.524 115.700 0.034 0.000 2.539 271 S HA 0.424 4.936 4.470 0.069 0.000 0.221 271 S C 0.299 174.915 174.600 0.027 0.000 0.987 271 S CA -0.080 58.134 58.200 0.022 0.000 0.929 271 S CB 0.614 63.825 63.200 0.017 0.000 0.832 271 S HN 0.600 nan 8.310 nan 0.000 0.492 272 V N -1.361 118.583 119.914 0.049 0.000 3.074 272 V HA 0.708 4.869 4.120 0.069 0.000 0.314 272 V C -3.310 172.778 176.094 -0.010 0.000 1.117 272 V CA -3.249 59.065 62.300 0.023 0.000 1.014 272 V CB 1.089 32.942 31.823 0.050 0.000 1.057 272 V HN -0.227 nan 8.190 nan 0.000 0.438 273 P HA 0.326 nan 4.420 nan 0.000 0.268 273 P C -0.890 176.347 177.300 -0.106 0.000 1.205 273 P CA 0.157 63.204 63.100 -0.088 0.000 0.771 273 P CB 1.016 32.649 31.700 -0.112 0.000 0.858 274 V N 2.628 122.468 119.914 -0.124 0.000 2.623 274 V HA 0.458 4.620 4.120 0.069 0.000 0.304 274 V C -0.645 175.338 176.094 -0.185 0.000 1.054 274 V CA -0.509 61.701 62.300 -0.150 0.000 0.882 274 V CB 1.943 33.730 31.823 -0.061 0.000 1.002 274 V HN 0.550 nan 8.190 nan 0.000 0.424 275 S N 5.649 121.234 115.700 -0.191 0.000 2.457 275 S HA 0.744 5.256 4.470 0.069 0.000 0.289 275 S C -0.906 173.585 174.600 -0.182 0.000 1.163 275 S CA -0.429 57.654 58.200 -0.195 0.000 1.078 275 S CB 1.203 64.303 63.200 -0.167 0.000 0.987 275 S HN 0.810 nan 8.310 nan 0.000 0.482 276 V N 5.956 125.745 119.914 -0.208 0.000 2.380 276 V HA 0.361 4.523 4.120 0.069 0.000 0.286 276 V C 0.176 176.179 176.094 -0.152 0.000 1.015 276 V CA -0.930 61.271 62.300 -0.165 0.000 0.834 276 V CB 1.396 33.126 31.823 -0.155 0.000 1.009 276 V HN 0.782 nan 8.190 nan 0.000 0.428 277 V N 4.989 124.818 119.914 -0.143 0.000 2.557 277 V HA 0.114 4.276 4.120 0.069 0.000 0.301 277 V C 1.087 177.176 176.094 -0.008 0.000 1.026 277 V CA 1.284 63.492 62.300 -0.153 0.000 1.137 277 V CB 1.593 33.191 31.823 -0.374 0.000 0.917 277 V HN 1.031 nan 8.190 nan 0.000 0.484 278 S N 3.338 119.077 115.700 0.065 0.000 2.780 278 S HA 0.144 4.655 4.470 0.069 0.000 0.248 278 S C 0.773 175.487 174.600 0.190 0.000 1.036 278 S CA 0.137 58.496 58.200 0.266 0.000 1.061 278 S CB 0.106 63.501 63.200 0.326 0.000 1.037 278 S HN 1.010 nan 8.310 nan 0.000 0.584 279 D N 0.684 121.139 120.400 0.091 0.000 2.402 279 D HA 0.197 4.878 4.640 0.069 0.000 0.216 279 D C 0.967 177.271 176.300 0.008 0.000 1.128 279 D CA 0.052 54.071 54.000 0.032 0.000 0.833 279 D CB -0.108 40.698 40.800 0.009 0.000 0.971 279 D HN 0.020 nan 8.370 nan 0.000 0.503 280 S N -0.073 115.608 115.700 -0.031 0.000 2.380 280 S HA -0.189 4.322 4.470 0.069 0.000 0.229 280 S C 0.772 175.014 174.600 -0.596 0.000 1.043 280 S CA 1.554 59.548 58.200 -0.344 0.000 1.038 280 S CB -0.220 62.591 63.200 -0.648 0.000 0.872 280 S HN 0.510 nan 8.310 nan 0.000 0.456 281 Y N -0.939 119.376 120.300 0.024 0.000 2.784 281 Y HA 0.433 5.025 4.550 0.070 0.000 0.267 281 Y C 0.226 176.116 175.900 -0.017 0.000 1.117 281 Y CA -0.552 57.543 58.100 -0.008 0.000 1.231 281 Y CB 0.661 39.102 38.460 -0.031 0.000 1.441 281 Y HN 0.034 nan 8.280 nan 0.000 0.469 282 D N 0.124 120.602 120.400 0.131 0.000 2.365 282 D HA 0.133 4.814 4.640 0.069 0.000 0.235 282 D C 0.273 176.568 176.300 -0.008 0.000 1.368 282 D CA -0.121 53.908 54.000 0.048 0.000 1.001 282 D CB 1.430 42.282 40.800 0.086 0.000 1.364 282 D HN 0.174 nan 8.370 nan 0.000 0.577 283 I N 4.129 124.595 120.570 -0.173 0.000 2.226 283 I HA -0.213 3.998 4.170 0.069 0.000 0.245 283 I C 1.092 177.129 176.117 -0.133 0.000 1.100 283 I CA 1.710 62.884 61.300 -0.211 0.000 1.374 283 I CB -0.183 37.576 38.000 -0.402 0.000 1.057 283 I HN 0.365 nan 8.210 nan 0.000 0.413 284 Y N 0.442 120.804 120.300 0.103 0.000 2.263 284 Y HA -0.143 4.445 4.550 0.063 0.000 0.292 284 Y C 2.567 178.527 175.900 0.102 0.000 1.130 284 Y CA 1.456 59.614 58.100 0.096 0.000 1.179 284 Y CB -1.608 36.895 38.460 0.072 0.000 0.998 284 Y HN 0.346 nan 8.280 nan 0.000 0.532 285 N N 0.680 119.501 118.700 0.201 0.000 2.120 285 N HA -0.198 4.584 4.740 0.069 0.000 0.188 285 N C 1.986 177.565 175.510 0.114 0.000 1.024 285 N CA 1.287 54.415 53.050 0.130 0.000 0.852 285 N CB -0.109 38.427 38.487 0.081 0.000 1.003 285 N HN 0.357 nan 8.380 nan 0.000 0.424 286 A N 0.680 123.573 122.820 0.121 0.000 1.902 286 A HA -0.132 4.229 4.320 0.069 0.000 0.217 286 A C 2.768 180.499 177.584 0.245 0.000 1.181 286 A CA 1.390 53.507 52.037 0.133 0.000 0.623 286 A CB -0.949 18.194 19.000 0.238 0.000 0.818 286 A HN 0.598 nan 8.150 nan 0.000 0.443 287 C N -1.390 118.116 119.300 0.343 0.000 2.466 287 C HA 0.006 4.508 4.460 0.069 0.000 0.278 287 C C 2.678 177.885 174.990 0.363 0.000 1.288 287 C CA 1.132 60.414 59.018 0.441 0.000 1.722 287 C CB -0.926 27.007 27.740 0.321 0.000 2.017 287 C HN 0.790 nan 8.230 nan 0.000 0.488 288 E N 0.469 120.822 120.200 0.255 0.000 2.051 288 E HA -0.118 4.273 4.350 0.069 0.000 0.189 288 E C 2.039 178.727 176.600 0.147 0.000 0.979 288 E CA 0.852 57.367 56.400 0.191 0.000 0.803 288 E CB 0.152 29.943 29.700 0.153 0.000 0.761 288 E HN 0.391 nan 8.360 nan 0.000 0.451 289 K N 0.063 120.535 120.400 0.120 0.000 2.190 289 K HA 0.109 4.471 4.320 0.069 0.000 0.202 289 K C 2.204 178.838 176.600 0.056 0.000 1.045 289 K CA 0.529 56.857 56.287 0.068 0.000 0.976 289 K CB -0.018 32.503 32.500 0.035 0.000 0.849 289 K HN 0.226 nan 8.250 nan 0.000 0.468 290 I N -1.103 119.483 120.570 0.027 0.000 2.206 290 I HA -0.148 4.064 4.170 0.069 0.000 0.239 290 I C 2.260 178.405 176.117 0.046 0.000 1.078 290 I CA 1.137 62.400 61.300 -0.061 0.000 1.367 290 I CB -0.370 37.483 38.000 -0.244 0.000 1.078 290 I HN 0.131 nan 8.210 nan 0.000 0.413 291 W N 1.001 122.437 121.300 0.226 0.000 2.409 291 W HA -0.027 4.676 4.660 0.072 0.000 0.299 291 W C 2.528 179.211 176.519 0.274 0.000 1.203 291 W CA 0.734 58.219 57.345 0.234 0.000 1.298 291 W CB -0.532 29.053 29.460 0.209 0.000 1.127 291 W HN 0.106 nan 8.180 nan 0.000 0.528 292 G N -0.485 108.571 108.800 0.428 0.000 2.572 292 G HA2 -0.035 3.966 3.960 0.069 0.000 0.216 292 G HA3 -0.035 3.966 3.960 0.069 0.000 0.216 292 G C 1.060 175.964 174.900 0.008 0.000 1.133 292 G CA 0.845 46.039 45.100 0.157 0.000 0.791 292 G HN 0.278 nan 8.290 nan 0.000 0.538 293 E N -0.542 119.708 120.200 0.085 0.000 3.596 293 E HA 0.038 4.430 4.350 0.069 0.000 0.188 293 E C 1.442 178.101 176.600 0.099 0.000 1.232 293 E CA -0.166 56.267 56.400 0.054 0.000 1.460 293 E CB 0.194 29.916 29.700 0.037 0.000 1.513 293 E HN -0.043 nan 8.360 nan 0.000 0.530 294 D N 1.229 121.683 120.400 0.090 0.000 2.116 294 D HA -0.144 4.538 4.640 0.069 0.000 0.193 294 D C 1.573 177.981 176.300 0.180 0.000 0.998 294 D CA 1.366 55.426 54.000 0.099 0.000 0.836 294 D CB 0.136 40.954 40.800 0.031 0.000 0.951 294 D HN 0.128 nan 8.370 nan 0.000 0.449 295 L N -0.145 121.167 121.223 0.147 0.000 2.857 295 L HA 0.278 4.660 4.340 0.069 0.000 0.249 295 L C 1.988 178.893 176.870 0.058 0.000 1.172 295 L CA -0.277 54.599 54.840 0.060 0.000 0.980 295 L CB 0.383 42.502 42.059 0.100 0.000 1.299 295 L HN -0.136 nan 8.230 nan 0.000 0.535 296 R N 0.969 121.579 120.500 0.184 0.000 2.133 296 R HA -0.229 4.153 4.340 0.069 0.000 0.247 296 R C 2.381 178.752 176.300 0.117 0.000 1.151 296 R CA 2.205 58.423 56.100 0.197 0.000 0.971 296 R CB -0.252 30.088 30.300 0.066 0.000 0.866 296 R HN 0.595 nan 8.270 nan 0.000 0.447 297 H N -0.483 118.634 119.070 0.078 0.000 2.489 297 H HA -0.084 4.514 4.556 0.070 0.000 0.293 297 H C 1.687 177.030 175.328 0.025 0.000 1.066 297 H CA 1.029 57.097 56.048 0.033 0.000 1.305 297 H CB -0.303 29.472 29.762 0.023 0.000 1.386 297 H HN 0.309 nan 8.280 nan 0.000 0.551 298 L N 0.285 121.258 121.223 -0.417 0.000 2.567 298 L HA 0.028 4.410 4.340 0.069 0.000 0.225 298 L C 1.710 178.515 176.870 -0.109 0.000 1.119 298 L CA -0.139 54.561 54.840 -0.233 0.000 0.871 298 L CB 0.107 42.013 42.059 -0.254 0.000 1.036 298 L HN 0.158 nan 8.230 nan 0.000 0.459 299 I N -0.588 119.939 120.570 -0.072 0.000 2.729 299 I HA -0.057 4.154 4.170 0.069 0.000 0.256 299 I C 2.516 178.399 176.117 -0.389 0.000 1.115 299 I CA 1.041 62.286 61.300 -0.091 0.000 1.446 299 I CB -0.915 37.143 38.000 0.096 0.000 1.176 299 I HN 0.078 nan 8.210 nan 0.000 0.446 300 V N -0.116 119.551 119.914 -0.412 0.000 2.913 300 V HA -0.073 4.088 4.120 0.069 0.000 0.260 300 V C 2.133 177.851 176.094 -0.628 0.000 1.098 300 V CA 1.652 63.418 62.300 -0.889 0.000 1.121 300 V CB -1.385 30.274 31.823 -0.274 0.000 0.714 300 V HN 0.469 nan 8.190 nan 0.000 0.487 301 S N -0.718 114.791 115.700 -0.317 0.000 2.593 301 S HA 0.226 4.738 4.470 0.069 0.000 0.217 301 S C 0.975 175.493 174.600 -0.137 0.000 0.966 301 S CA -0.414 57.687 58.200 -0.165 0.000 0.914 301 S CB -0.344 62.812 63.200 -0.073 0.000 0.776 301 S HN 0.676 nan 8.310 nan 0.000 0.523 302 R N 1.841 122.229 120.500 -0.188 0.000 2.582 302 R HA 0.401 4.782 4.340 0.069 0.000 0.271 302 R C 0.471 176.774 176.300 0.004 0.000 1.078 302 R CA -0.103 55.953 56.100 -0.072 0.000 1.127 302 R CB 0.655 30.922 30.300 -0.054 0.000 1.038 302 R HN 0.303 nan 8.270 nan 0.000 0.500 303 S N -0.118 115.590 115.700 0.013 0.000 2.593 303 S HA -0.028 4.483 4.470 0.069 0.000 0.269 303 S C 1.571 176.198 174.600 0.044 0.000 1.334 303 S CA -0.116 58.101 58.200 0.028 0.000 1.015 303 S CB 1.037 64.240 63.200 0.006 0.000 0.912 303 S HN 0.722 nan 8.310 nan 0.000 0.541 304 T N 1.248 115.824 114.554 0.036 0.000 2.951 304 T HA -0.036 4.355 4.350 0.069 0.000 0.268 304 T C 1.369 176.055 174.700 -0.024 0.000 1.073 304 T CA 1.033 63.139 62.100 0.010 0.000 1.134 304 T CB -0.336 68.534 68.868 0.003 0.000 0.884 304 T HN 0.623 nan 8.240 nan 0.000 0.479 305 Q N 1.175 120.961 119.800 -0.025 0.000 2.432 305 Q HA 0.480 4.862 4.340 0.069 0.000 0.205 305 Q C 1.149 177.118 176.000 -0.052 0.000 0.945 305 Q CA 0.840 56.616 55.803 -0.046 0.000 0.924 305 Q CB 0.215 28.929 28.738 -0.040 0.000 1.016 305 Q HN 0.716 nan 8.270 nan 0.000 0.503 306 A N 1.018 123.817 122.820 -0.036 0.000 3.308 306 A HA 0.361 4.723 4.320 0.069 0.000 0.275 306 A C -2.618 174.940 177.584 -0.043 0.000 0.950 306 A CA -1.244 50.770 52.037 -0.038 0.000 0.987 306 A CB 0.265 19.255 19.000 -0.018 0.000 1.146 306 A HN -0.025 nan 8.150 nan 0.000 0.488 307 P HA 0.261 nan 4.420 nan 0.000 0.274 307 P C -0.163 177.053 177.300 -0.140 0.000 1.237 307 P CA -0.279 62.772 63.100 -0.082 0.000 0.793 307 P CB 1.114 32.745 31.700 -0.115 0.000 0.977 308 L N 2.828 123.935 121.223 -0.192 0.000 2.360 308 L HA 0.277 4.659 4.340 0.069 0.000 0.276 308 L C -0.324 176.328 176.870 -0.364 0.000 1.121 308 L CA 0.074 54.719 54.840 -0.325 0.000 0.845 308 L CB -0.486 41.281 42.059 -0.488 0.000 1.143 308 L HN 0.178 nan 8.230 nan 0.000 0.452 309 I N 6.897 127.259 120.570 -0.347 0.000 2.371 309 I HA 0.308 4.519 4.170 0.069 0.000 0.282 309 I C -0.184 175.716 176.117 -0.362 0.000 1.031 309 I CA -0.315 60.795 61.300 -0.317 0.000 1.180 309 I CB 0.759 38.620 38.000 -0.232 0.000 1.336 309 I HN 0.506 nan 8.210 nan 0.000 0.467 310 I N 6.029 126.351 120.570 -0.414 0.000 2.533 310 I HA 0.171 4.382 4.170 0.069 0.000 0.284 310 I C 0.720 176.702 176.117 -0.225 0.000 1.109 310 I CA 0.099 61.173 61.300 -0.377 0.000 1.412 310 I CB 0.405 38.164 38.000 -0.402 0.000 1.396 310 I HN 0.556 nan 8.210 nan 0.000 0.543 311 R N 8.909 129.313 120.500 -0.161 0.000 2.312 311 R HA 0.382 4.763 4.340 0.069 0.000 0.310 311 R C -2.563 173.697 176.300 -0.065 0.000 1.064 311 R CA -1.711 54.322 56.100 -0.111 0.000 0.983 311 R CB 1.032 31.264 30.300 -0.114 0.000 1.139 311 R HN 0.290 nan 8.270 nan 0.000 0.536 312 P HA 0.093 nan 4.420 nan 0.000 0.272 312 P C -0.657 176.641 177.300 -0.004 0.000 1.223 312 P CA 0.104 63.185 63.100 -0.031 0.000 0.784 312 P CB 1.059 32.736 31.700 -0.038 0.000 0.923 313 D N -0.827 119.585 120.400 0.020 0.000 2.615 313 D HA 0.131 4.812 4.640 0.069 0.000 0.274 313 D C -0.618 175.712 176.300 0.051 0.000 1.512 313 D CA 0.005 54.041 54.000 0.059 0.000 0.803 313 D CB 0.277 41.150 40.800 0.122 0.000 1.182 313 D HN 0.377 nan 8.370 nan 0.000 0.473 314 S N -1.951 113.763 115.700 0.023 0.000 2.611 314 S HA 0.777 5.289 4.470 0.069 0.000 0.268 314 S C 0.349 174.962 174.600 0.022 0.000 1.156 314 S CA -0.338 57.871 58.200 0.015 0.000 0.817 314 S CB 1.409 64.605 63.200 -0.006 0.000 1.122 314 S HN 0.645 nan 8.310 nan 0.000 0.466 315 G N 1.287 110.107 108.800 0.035 0.000 2.760 315 G HA2 -0.116 3.885 3.960 0.069 0.000 0.246 315 G HA3 -0.116 3.885 3.960 0.069 0.000 0.246 315 G C -0.550 174.388 174.900 0.063 0.000 1.359 315 G CA -0.340 44.797 45.100 0.061 0.000 0.861 315 G HN 1.188 nan 8.290 nan 0.000 0.541 316 N N 1.140 119.883 118.700 0.072 0.000 2.440 316 N HA 0.152 4.934 4.740 0.069 0.000 0.265 316 N C -0.733 174.818 175.510 0.069 0.000 1.239 316 N CA -0.512 52.576 53.050 0.064 0.000 0.909 316 N CB 1.120 39.644 38.487 0.061 0.000 1.066 316 N HN 0.131 nan 8.380 nan 0.000 0.474 317 P HA -0.169 nan 4.420 nan 0.000 0.215 317 P C 1.616 178.958 177.300 0.070 0.000 1.157 317 P CA 0.758 63.900 63.100 0.070 0.000 0.874 317 P CB 0.219 31.965 31.700 0.076 0.000 0.790 318 L N -0.042 121.219 121.223 0.064 0.000 2.005 318 L HA -0.145 4.236 4.340 0.069 0.000 0.207 318 L C 1.623 178.526 176.870 0.054 0.000 1.072 318 L CA 2.141 57.016 54.840 0.058 0.000 0.744 318 L CB -1.467 40.623 42.059 0.050 0.000 0.895 318 L HN -0.163 nan 8.230 nan 0.000 0.433 319 D N -0.875 119.561 120.400 0.060 0.000 2.123 319 D HA -0.169 4.512 4.640 0.069 0.000 0.196 319 D C 2.058 178.409 176.300 0.086 0.000 0.992 319 D CA 1.928 55.965 54.000 0.063 0.000 0.833 319 D CB -0.396 40.442 40.800 0.063 0.000 0.954 319 D HN 0.417 nan 8.370 nan 0.000 0.455 320 T N 0.538 115.161 114.554 0.115 0.000 2.777 320 T HA -0.072 4.319 4.350 0.069 0.000 0.266 320 T C 2.299 177.059 174.700 0.101 0.000 1.040 320 T CA 0.600 62.804 62.100 0.173 0.000 1.141 320 T CB -0.357 68.589 68.868 0.130 0.000 0.868 320 T HN -0.029 nan 8.240 nan 0.000 0.444 321 V N 1.603 121.533 119.914 0.027 0.000 2.295 321 V HA -0.132 4.030 4.120 0.069 0.000 0.246 321 V C 2.500 178.525 176.094 -0.114 0.000 1.049 321 V CA 1.513 63.779 62.300 -0.056 0.000 1.024 321 V CB -0.672 31.113 31.823 -0.064 0.000 0.648 321 V HN 0.431 nan 8.190 nan 0.000 0.447 322 L N -0.400 120.786 121.223 -0.063 0.000 2.017 322 L HA -0.220 4.161 4.340 0.069 0.000 0.208 322 L C 2.573 179.407 176.870 -0.061 0.000 1.073 322 L CA 2.015 56.806 54.840 -0.080 0.000 0.745 322 L CB -0.601 41.472 42.059 0.025 0.000 0.894 322 L HN 0.292 nan 8.230 nan 0.000 0.432 323 K N -0.041 120.361 120.400 0.004 0.000 2.057 323 K HA -0.143 4.219 4.320 0.069 0.000 0.206 323 K C 2.026 178.660 176.600 0.057 0.000 1.050 323 K CA 1.138 57.432 56.287 0.012 0.000 0.935 323 K CB 0.024 32.490 32.500 -0.057 0.000 0.715 323 K HN 0.026 nan 8.250 nan 0.000 0.439 324 V N 1.642 121.606 119.914 0.084 0.000 2.287 324 V HA -0.271 3.890 4.120 0.069 0.000 0.248 324 V C 2.263 178.302 176.094 -0.091 0.000 1.053 324 V CA 1.716 64.046 62.300 0.051 0.000 1.027 324 V CB -0.343 31.485 31.823 0.007 0.000 0.646 324 V HN 0.335 nan 8.190 nan 0.000 0.447 325 L N -0.336 120.710 121.223 -0.296 0.000 2.046 325 L HA -0.203 4.179 4.340 0.069 0.000 0.208 325 L C 2.594 179.257 176.870 -0.345 0.000 1.077 325 L CA 1.916 56.363 54.840 -0.656 0.000 0.747 325 L CB -0.594 40.602 42.059 -1.439 0.000 0.896 325 L HN 0.436 nan 8.230 nan 0.000 0.432 326 E N 0.838 121.001 120.200 -0.061 0.000 2.058 326 E HA -0.250 4.141 4.350 0.069 0.000 0.194 326 E C 2.290 178.992 176.600 0.171 0.000 0.997 326 E CA 1.453 57.971 56.400 0.196 0.000 0.801 326 E CB -0.035 29.753 29.700 0.147 0.000 0.746 326 E HN 0.460 nan 8.360 nan 0.000 0.450 327 I N 0.752 121.393 120.570 0.118 0.000 2.142 327 I HA -0.297 3.915 4.170 0.069 0.000 0.240 327 I C 2.445 178.680 176.117 0.196 0.000 1.078 327 I CA 0.937 62.327 61.300 0.150 0.000 1.343 327 I CB -0.190 37.913 38.000 0.172 0.000 1.046 327 I HN 0.196 nan 8.210 nan 0.000 0.405 328 L N 0.286 121.619 121.223 0.184 0.000 2.131 328 L HA -0.117 4.264 4.340 0.069 0.000 0.210 328 L C 2.601 179.681 176.870 0.350 0.000 1.092 328 L CA 1.345 56.355 54.840 0.283 0.000 0.759 328 L CB -1.074 41.040 42.059 0.093 0.000 0.903 328 L HN 0.338 nan 8.230 nan 0.000 0.435 329 G N -0.151 108.839 108.800 0.317 0.000 2.443 329 G HA2 -0.218 3.783 3.960 0.069 0.000 0.219 329 G HA3 -0.218 3.783 3.960 0.069 0.000 0.219 329 G C 1.699 176.763 174.900 0.274 0.000 1.131 329 G CA 0.421 45.766 45.100 0.409 0.000 0.775 329 G HN 0.299 nan 8.290 nan 0.000 0.547 330 K N -0.441 120.092 120.400 0.222 0.000 2.356 330 K HA 0.155 4.516 4.320 0.069 0.000 0.195 330 K C 1.939 178.596 176.600 0.095 0.000 1.037 330 K CA 0.236 56.608 56.287 0.141 0.000 1.014 330 K CB 0.276 32.847 32.500 0.118 0.000 0.815 330 K HN -0.014 nan 8.250 nan 0.000 0.507 331 K N -0.435 120.031 120.400 0.111 0.000 2.354 331 K HA 0.186 4.547 4.320 0.069 0.000 0.194 331 K C -0.206 176.197 176.600 -0.328 0.000 1.045 331 K CA 0.414 56.647 56.287 -0.090 0.000 1.026 331 K CB 0.610 33.052 32.500 -0.097 0.000 0.866 331 K HN -0.053 nan 8.250 nan 0.000 0.530 332 F N 1.502 121.526 119.950 0.123 0.000 2.577 332 F HA 0.317 4.887 4.527 0.072 0.000 0.318 332 F C -2.070 173.795 175.800 0.108 0.000 1.065 332 F CA -2.661 55.420 58.000 0.134 0.000 0.929 332 F CB 1.467 40.549 39.000 0.137 0.000 1.237 332 F HN -0.215 nan 8.300 nan 0.000 0.468 333 P HA 0.078 nan 4.420 nan 0.000 0.267 333 P C -0.604 176.775 177.300 0.132 0.000 1.328 333 P CA 0.257 63.460 63.100 0.171 0.000 0.990 333 P CB 0.375 32.173 31.700 0.163 0.000 1.168 334 V N 4.712 124.699 119.914 0.122 0.000 2.498 334 V HA 0.243 4.404 4.120 0.069 0.000 0.279 334 V C 1.320 177.438 176.094 0.039 0.000 1.048 334 V CA 0.084 62.441 62.300 0.094 0.000 0.967 334 V CB 1.211 33.106 31.823 0.119 0.000 0.988 334 V HN 0.607 nan 8.190 nan 0.000 0.473 335 T N 1.503 116.070 114.554 0.023 0.000 2.922 335 T HA 0.623 5.014 4.350 0.069 0.000 0.281 335 T C -0.517 174.173 174.700 -0.017 0.000 1.005 335 T CA -0.780 61.322 62.100 0.004 0.000 0.982 335 T CB 2.044 70.916 68.868 0.007 0.000 1.158 335 T HN 0.678 nan 8.240 nan 0.000 0.566 336 E N 1.364 121.552 120.200 -0.020 0.000 2.216 336 E HA 0.300 4.691 4.350 0.069 0.000 0.260 336 E C -0.523 176.076 176.600 -0.001 0.000 0.880 336 E CA -0.851 55.532 56.400 -0.029 0.000 0.765 336 E CB 0.941 30.605 29.700 -0.061 0.000 1.174 336 E HN 0.755 nan 8.360 nan 0.000 0.417 337 N N 1.774 120.492 118.700 0.030 0.000 2.294 337 N HA -0.068 4.713 4.740 0.069 0.000 0.248 337 N C 0.872 176.407 175.510 0.042 0.000 1.300 337 N CA 0.359 53.435 53.050 0.044 0.000 0.925 337 N CB 0.416 38.944 38.487 0.068 0.000 1.188 337 N HN 0.352 nan 8.380 nan 0.000 0.512 338 S N -1.601 114.124 115.700 0.042 0.000 2.442 338 S HA -0.075 4.437 4.470 0.069 0.000 0.236 338 S C 1.088 175.718 174.600 0.050 0.000 1.007 338 S CA 0.549 58.769 58.200 0.034 0.000 0.965 338 S CB -0.284 62.932 63.200 0.027 0.000 0.773 338 S HN 0.514 nan 8.310 nan 0.000 0.504 339 K N 0.864 121.325 120.400 0.102 0.000 2.426 339 K HA 0.236 4.597 4.320 0.069 0.000 0.193 339 K C 1.369 178.045 176.600 0.126 0.000 1.028 339 K CA 0.649 57.036 56.287 0.167 0.000 1.047 339 K CB -0.252 32.410 32.500 0.269 0.000 0.821 339 K HN 0.604 nan 8.250 nan 0.000 0.513 340 G N 1.095 109.915 108.800 0.033 0.000 2.131 340 G HA2 -0.264 3.738 3.960 0.069 0.000 0.223 340 G HA3 -0.264 3.738 3.960 0.069 0.000 0.223 340 G C -0.431 174.301 174.900 -0.281 0.000 0.990 340 G CA -0.186 44.830 45.100 -0.140 0.000 0.671 340 G HN 0.247 nan 8.290 nan 0.000 0.521 341 Y N 0.514 120.784 120.300 -0.049 0.000 2.387 341 Y HA 0.571 5.169 4.550 0.080 0.000 0.330 341 Y C 1.050 176.892 175.900 -0.097 0.000 1.133 341 Y CA -0.787 57.272 58.100 -0.067 0.000 1.152 341 Y CB 1.118 39.576 38.460 -0.003 0.000 1.215 341 Y HN -0.017 nan 8.280 nan 0.000 0.466 342 K N 2.615 122.974 120.400 -0.068 0.000 2.350 342 K HA 0.353 4.715 4.320 0.069 0.000 0.279 342 K C -1.326 175.315 176.600 0.069 0.000 1.027 342 K CA -0.388 55.786 56.287 -0.189 0.000 0.969 342 K CB 0.711 32.751 32.500 -0.767 0.000 0.954 342 K HN 0.355 nan 8.250 nan 0.000 0.474 343 L N 4.325 125.600 121.223 0.086 0.000 2.439 343 L HA 0.337 4.719 4.340 0.069 0.000 0.270 343 L C -1.048 175.889 176.870 0.112 0.000 0.972 343 L CA -0.467 54.451 54.840 0.130 0.000 0.836 343 L CB 1.349 43.447 42.059 0.065 0.000 1.255 343 L HN 0.542 nan 8.230 nan 0.000 0.404 344 L N 6.097 127.390 121.223 0.118 0.000 2.473 344 L HA 0.354 4.736 4.340 0.069 0.000 0.268 344 L C -1.687 175.098 176.870 -0.143 0.000 1.215 344 L CA -1.619 53.222 54.840 0.003 0.000 0.823 344 L CB 0.182 42.195 42.059 -0.076 0.000 1.099 344 L HN 0.527 nan 8.230 nan 0.000 0.483 345 P HA 0.015 nan 4.420 nan 0.000 0.267 345 P C -2.184 174.761 177.300 -0.592 0.000 1.200 345 P CA -1.208 61.587 63.100 -0.509 0.000 0.772 345 P CB -0.095 31.041 31.700 -0.939 0.000 0.855 346 P HA -0.146 nan 4.420 nan 0.000 0.223 346 P C 1.003 178.178 177.300 -0.208 0.000 1.144 346 P CA 1.545 64.506 63.100 -0.232 0.000 0.783 346 P CB -0.512 31.127 31.700 -0.102 0.000 0.771 347 Y N -1.642 118.598 120.300 -0.100 0.000 2.490 347 Y HA 0.510 5.104 4.550 0.073 0.000 0.281 347 Y C 0.527 176.292 175.900 -0.224 0.000 1.174 347 Y CA -1.090 56.929 58.100 -0.134 0.000 1.295 347 Y CB -0.674 37.729 38.460 -0.096 0.000 1.062 347 Y HN -0.211 nan 8.280 nan 0.000 0.522 348 L N 1.667 122.699 121.223 -0.318 0.000 2.439 348 L HA 0.647 5.028 4.340 0.069 0.000 0.270 348 L C -1.246 175.424 176.870 -0.333 0.000 0.972 348 L CA -0.958 53.663 54.840 -0.366 0.000 0.836 348 L CB 1.412 43.134 42.059 -0.561 0.000 1.255 348 L HN -0.002 nan 8.230 nan 0.000 0.404 349 R N 2.896 123.212 120.500 -0.307 0.000 2.869 349 R HA 0.834 5.215 4.340 0.069 0.000 0.263 349 R C -1.603 174.528 176.300 -0.283 0.000 1.066 349 R CA -0.877 55.066 56.100 -0.261 0.000 0.960 349 R CB 2.273 32.448 30.300 -0.209 0.000 1.221 349 R HN 0.377 nan 8.270 nan 0.000 0.474 350 V N 1.608 121.365 119.914 -0.261 0.000 2.656 350 V HA 0.548 4.709 4.120 0.069 0.000 0.307 350 V C -0.342 175.589 176.094 -0.272 0.000 1.051 350 V CA -0.857 61.283 62.300 -0.266 0.000 0.893 350 V CB 2.351 34.010 31.823 -0.273 0.000 0.999 350 V HN 0.635 nan 8.190 nan 0.000 0.426 351 I N 3.246 123.674 120.570 -0.236 0.000 2.436 351 I HA 0.568 4.780 4.170 0.069 0.000 0.289 351 I C -0.633 175.378 176.117 -0.176 0.000 1.010 351 I CA -0.593 60.571 61.300 -0.227 0.000 1.098 351 I CB 1.851 39.771 38.000 -0.134 0.000 1.266 351 I HN 0.749 nan 8.210 nan 0.000 0.434 352 Q N 5.463 125.118 119.800 -0.241 0.000 2.360 352 Q HA 0.498 4.879 4.340 0.069 0.000 0.254 352 Q C 0.049 176.096 176.000 0.077 0.000 0.975 352 Q CA -0.148 55.609 55.803 -0.077 0.000 0.912 352 Q CB 1.594 30.289 28.738 -0.072 0.000 1.212 352 Q HN 0.770 nan 8.270 nan 0.000 0.452 353 G N 2.997 111.888 108.800 0.151 0.000 3.596 353 G HA2 0.107 4.109 3.960 0.069 0.000 0.274 353 G HA3 0.107 4.109 3.960 0.069 0.000 0.274 353 G C -0.642 174.397 174.900 0.231 0.000 1.007 353 G CA -0.220 45.058 45.100 0.297 0.000 0.825 353 G HN 0.602 nan 8.290 nan 0.000 0.508 354 D N -0.798 119.690 120.400 0.146 0.000 2.375 354 D HA 0.462 5.144 4.640 0.069 0.000 0.247 354 D C 1.085 177.442 176.300 0.096 0.000 1.061 354 D CA 0.283 54.349 54.000 0.110 0.000 0.834 354 D CB 1.148 41.996 40.800 0.080 0.000 1.247 354 D HN 0.236 nan 8.370 nan 0.000 0.489 355 G N 2.318 111.168 108.800 0.082 0.000 2.198 355 G HA2 -0.205 3.796 3.960 0.069 0.000 0.260 355 G HA3 -0.205 3.796 3.960 0.069 0.000 0.260 355 G C 0.041 174.976 174.900 0.058 0.000 1.025 355 G CA 0.327 45.465 45.100 0.063 0.000 0.769 355 G HN 0.562 nan 8.290 nan 0.000 0.507 356 V N 1.675 121.629 119.914 0.066 0.000 2.385 356 V HA 0.582 4.743 4.120 0.069 0.000 0.269 356 V C 0.268 176.360 176.094 -0.004 0.000 1.043 356 V CA 0.186 62.508 62.300 0.036 0.000 0.906 356 V CB 1.256 33.125 31.823 0.078 0.000 0.995 356 V HN 0.626 nan 8.190 nan 0.000 0.467 357 D N 3.138 123.521 120.400 -0.028 0.000 2.732 357 D HA 0.291 4.973 4.640 0.069 0.000 0.292 357 D C 1.013 177.276 176.300 -0.062 0.000 1.135 357 D CA -0.892 53.092 54.000 -0.027 0.000 1.071 357 D CB 1.184 41.991 40.800 0.011 0.000 1.457 357 D HN 0.273 nan 8.370 nan 0.000 0.547 358 I N -0.010 120.545 120.570 -0.025 0.000 2.248 358 I HA -0.308 3.903 4.170 0.069 0.000 0.248 358 I C 1.115 177.193 176.117 -0.066 0.000 1.107 358 I CA 1.552 62.829 61.300 -0.038 0.000 1.373 358 I CB -0.211 37.812 38.000 0.038 0.000 1.055 358 I HN 0.343 nan 8.210 nan 0.000 0.418 359 N N -0.297 118.382 118.700 -0.036 0.000 2.135 359 N HA -0.174 4.607 4.740 0.069 0.000 0.186 359 N C 1.710 177.184 175.510 -0.060 0.000 1.027 359 N CA 1.985 55.012 53.050 -0.038 0.000 0.849 359 N CB -0.261 38.221 38.487 -0.007 0.000 1.002 359 N HN 0.471 nan 8.380 nan 0.000 0.425 360 T N -0.466 114.053 114.554 -0.058 0.000 2.904 360 T HA -0.013 4.379 4.350 0.069 0.000 0.267 360 T C 1.869 176.493 174.700 -0.128 0.000 1.059 360 T CA 0.340 62.406 62.100 -0.057 0.000 1.137 360 T CB -0.387 68.471 68.868 -0.016 0.000 0.879 360 T HN 0.092 nan 8.240 nan 0.000 0.467 361 L N 1.235 122.318 121.223 -0.235 0.000 1.989 361 L HA -0.121 4.260 4.340 0.069 0.000 0.211 361 L C 2.859 179.494 176.870 -0.393 0.000 1.071 361 L CA 2.245 56.791 54.840 -0.490 0.000 0.749 361 L CB -0.765 40.962 42.059 -0.554 0.000 0.890 361 L HN 0.283 nan 8.230 nan 0.000 0.431 362 Q N 0.098 119.736 119.800 -0.269 0.000 2.096 362 Q HA -0.313 4.068 4.340 0.069 0.000 0.204 362 Q C 2.160 178.026 176.000 -0.223 0.000 0.982 362 Q CA 2.437 58.092 55.803 -0.246 0.000 0.850 362 Q CB -0.441 28.218 28.738 -0.132 0.000 0.901 362 Q HN 0.671 nan 8.270 nan 0.000 0.422 363 E N -0.648 119.472 120.200 -0.133 0.000 2.110 363 E HA -0.168 4.224 4.350 0.069 0.000 0.193 363 E C 1.891 178.457 176.600 -0.057 0.000 0.988 363 E CA 1.339 57.696 56.400 -0.071 0.000 0.804 363 E CB -0.144 29.536 29.700 -0.033 0.000 0.745 363 E HN 0.555 nan 8.360 nan 0.000 0.458 364 I N 0.618 121.156 120.570 -0.054 0.000 2.193 364 I HA -0.219 3.992 4.170 0.069 0.000 0.240 364 I C 2.589 178.715 176.117 0.015 0.000 1.084 364 I CA 0.971 62.293 61.300 0.037 0.000 1.365 364 I CB -0.367 37.747 38.000 0.191 0.000 1.064 364 I HN 0.125 nan 8.210 nan 0.000 0.410 365 V N -0.671 119.181 119.914 -0.104 0.000 2.407 365 V HA -0.245 3.917 4.120 0.069 0.000 0.248 365 V C 2.367 178.293 176.094 -0.280 0.000 1.055 365 V CA 2.138 64.311 62.300 -0.212 0.000 1.049 365 V CB -0.876 30.674 31.823 -0.455 0.000 0.662 365 V HN 0.408 nan 8.190 nan 0.000 0.455 366 E N 2.170 122.167 120.200 -0.339 0.000 2.047 366 E HA -0.006 4.386 4.350 0.069 0.000 0.191 366 E C 2.191 178.842 176.600 0.085 0.000 0.987 366 E CA 1.911 58.283 56.400 -0.047 0.000 0.799 366 E CB -1.117 28.577 29.700 -0.011 0.000 0.752 366 E HN 0.562 nan 8.360 nan 0.000 0.449 367 G N 0.290 109.123 108.800 0.054 0.000 2.422 367 G HA2 -0.261 3.741 3.960 0.069 0.000 0.218 367 G HA3 -0.261 3.741 3.960 0.069 0.000 0.218 367 G C 1.660 176.653 174.900 0.155 0.000 1.146 367 G CA 1.064 46.223 45.100 0.097 0.000 0.769 367 G HN 0.253 nan 8.290 nan 0.000 0.547 368 M N 0.047 119.740 119.600 0.156 0.000 2.086 368 M HA -0.018 4.504 4.480 0.069 0.000 0.261 368 M C 2.557 179.053 176.300 0.327 0.000 1.067 368 M CA 1.601 57.049 55.300 0.247 0.000 1.116 368 M CB -0.244 32.469 32.600 0.189 0.000 1.348 368 M HN 0.203 nan 8.290 nan 0.000 0.407 369 K N 0.034 120.602 120.400 0.280 0.000 2.063 369 K HA -0.210 4.152 4.320 0.069 0.000 0.208 369 K C 1.953 178.766 176.600 0.355 0.000 1.048 369 K CA 1.326 57.825 56.287 0.353 0.000 0.928 369 K CB 0.027 32.738 32.500 0.353 0.000 0.713 369 K HN 0.291 nan 8.250 nan 0.000 0.442 370 Q N 0.465 120.415 119.800 0.250 0.000 2.167 370 Q HA -0.073 4.308 4.340 0.069 0.000 0.202 370 Q C 1.382 177.476 176.000 0.156 0.000 0.970 370 Q CA 1.058 56.969 55.803 0.180 0.000 0.855 370 Q CB 0.108 28.930 28.738 0.140 0.000 0.911 370 Q HN 0.161 nan 8.270 nan 0.000 0.438 371 K N -0.018 120.509 120.400 0.212 0.000 2.437 371 K HA 0.137 4.499 4.320 0.069 0.000 0.198 371 K C 0.229 176.875 176.600 0.076 0.000 1.024 371 K CA -0.201 56.206 56.287 0.201 0.000 1.148 371 K CB 0.300 33.015 32.500 0.357 0.000 0.860 371 K HN 0.156 nan 8.250 nan 0.000 0.515 372 M N -1.407 118.266 119.600 0.122 0.000 2.732 372 M HA -0.204 4.318 4.480 0.069 0.000 0.207 372 M C -1.155 175.172 176.300 0.046 0.000 0.513 372 M CA 0.787 56.097 55.300 0.017 0.000 0.652 372 M CB -2.612 29.820 32.600 -0.281 0.000 2.410 372 M HN 0.161 nan 8.290 nan 0.000 0.660 373 W N 0.492 121.966 121.300 0.291 0.000 2.433 373 W HA 0.568 5.263 4.660 0.058 0.000 0.315 373 W C 0.957 177.579 176.519 0.172 0.000 1.087 373 W CA -0.358 57.106 57.345 0.198 0.000 1.205 373 W CB 1.158 30.681 29.460 0.105 0.000 1.288 373 W HN 0.228 nan 8.180 nan 0.000 0.504 374 S N 3.210 119.128 115.700 0.364 0.000 2.562 374 S HA 0.066 4.578 4.470 0.069 0.000 0.281 374 S C 1.171 175.850 174.600 0.130 0.000 1.333 374 S CA -0.492 57.795 58.200 0.144 0.000 1.052 374 S CB 0.419 63.696 63.200 0.127 0.000 0.884 374 S HN 0.404 nan 8.310 nan 0.000 0.506 375 I N 3.965 124.573 120.570 0.063 0.000 3.001 375 I HA -0.040 4.171 4.170 0.069 0.000 0.268 375 I C 2.007 178.157 176.117 0.055 0.000 1.267 375 I CA 0.913 62.263 61.300 0.083 0.000 1.472 375 I CB -1.695 36.377 38.000 0.120 0.000 1.089 375 I HN 0.753 nan 8.210 nan 0.000 0.468 376 E N 1.198 121.425 120.200 0.044 0.000 2.160 376 E HA -0.232 4.159 4.350 0.069 0.000 0.195 376 E C 1.662 178.257 176.600 -0.007 0.000 0.991 376 E CA 1.378 57.792 56.400 0.024 0.000 0.810 376 E CB -0.265 29.450 29.700 0.025 0.000 0.742 376 E HN 0.631 nan 8.360 nan 0.000 0.466 377 N N -0.058 118.644 118.700 0.003 0.000 2.381 377 N HA -0.022 4.760 4.740 0.069 0.000 0.182 377 N C 0.120 175.546 175.510 -0.141 0.000 1.025 377 N CA 0.310 53.328 53.050 -0.054 0.000 0.888 377 N CB 0.290 38.771 38.487 -0.010 0.000 0.965 377 N HN 0.048 nan 8.380 nan 0.000 0.438 378 I N -0.180 120.301 120.570 -0.149 0.000 2.530 378 I HA 0.562 4.773 4.170 0.069 0.000 0.297 378 I C -1.145 174.792 176.117 -0.301 0.000 1.011 378 I CA -0.900 60.221 61.300 -0.298 0.000 1.107 378 I CB 1.538 39.305 38.000 -0.389 0.000 1.285 378 I HN -0.119 nan 8.210 nan 0.000 0.436 379 A N 5.787 128.366 122.820 -0.403 0.000 2.386 379 A HA 0.865 5.227 4.320 0.069 0.000 0.308 379 A C -1.597 175.655 177.584 -0.554 0.000 1.128 379 A CA -0.421 51.439 52.037 -0.296 0.000 0.789 379 A CB 0.816 19.740 19.000 -0.128 0.000 1.325 379 A HN 0.514 nan 8.150 nan 0.000 0.437 380 F N -0.276 119.616 119.950 -0.097 0.000 2.546 380 F HA 0.651 5.066 4.527 -0.187 0.000 0.320 380 F C 0.827 176.483 175.800 -0.240 0.000 1.076 380 F CA -0.317 57.603 58.000 -0.134 0.000 0.928 380 F CB 2.683 41.603 39.000 -0.132 0.000 1.189 380 F HN 0.722 nan 8.300 nan 0.000 0.465 381 G N 0.371 109.120 108.800 -0.085 0.000 2.513 381 G HA2 0.525 4.526 3.960 0.069 0.000 0.317 381 G HA3 0.525 4.526 3.960 0.069 0.000 0.317 381 G C -1.602 173.182 174.900 -0.193 0.000 1.277 381 G CA -0.667 44.115 45.100 -0.530 0.000 0.955 381 G HN 0.589 nan 8.290 nan 0.000 0.484 382 S N 0.405 115.940 115.700 -0.275 0.000 2.575 382 S HA 0.729 5.241 4.470 0.069 0.000 0.278 382 S C 0.707 175.291 174.600 -0.026 0.000 1.139 382 S CA 0.143 58.296 58.200 -0.079 0.000 0.954 382 S CB 1.467 64.591 63.200 -0.127 0.000 1.054 382 S HN 0.972 nan 8.310 nan 0.000 0.483 383 G N 2.955 111.807 108.800 0.088 0.000 2.601 383 G HA2 0.355 4.357 3.960 0.069 0.000 0.214 383 G HA3 0.355 4.357 3.960 0.069 0.000 0.214 383 G C 1.327 176.264 174.900 0.062 0.000 2.067 383 G CA 0.462 45.627 45.100 0.109 0.000 0.774 383 G HN 0.950 nan 8.290 nan 0.000 0.729 384 G N 0.664 109.509 108.800 0.075 0.000 2.469 384 G HA2 0.025 4.027 3.960 0.069 0.000 0.219 384 G HA3 0.025 4.027 3.960 0.069 0.000 0.219 384 G C 1.762 176.699 174.900 0.061 0.000 1.150 384 G CA 1.638 46.780 45.100 0.070 0.000 0.763 384 G HN 0.774 nan 8.290 nan 0.000 0.561 385 G N 0.424 109.251 108.800 0.045 0.000 2.450 385 G HA2 -0.121 3.881 3.960 0.069 0.000 0.220 385 G HA3 -0.121 3.881 3.960 0.069 0.000 0.220 385 G C 1.703 176.616 174.900 0.021 0.000 1.130 385 G CA 1.073 46.194 45.100 0.034 0.000 0.760 385 G HN 0.421 nan 8.290 nan 0.000 0.557 386 L N -0.546 120.669 121.223 -0.013 0.000 2.168 386 L HA 0.373 4.754 4.340 0.069 0.000 0.203 386 L C 2.237 179.095 176.870 -0.021 0.000 1.078 386 L CA 1.229 56.034 54.840 -0.058 0.000 0.780 386 L CB 0.052 42.000 42.059 -0.185 0.000 0.939 386 L HN 0.168 nan 8.230 nan 0.000 0.451 387 L N -1.870 119.369 121.223 0.027 0.000 2.781 387 L HA 0.235 4.617 4.340 0.069 0.000 0.245 387 L C 1.642 178.648 176.870 0.227 0.000 1.118 387 L CA 0.035 54.938 54.840 0.104 0.000 0.918 387 L CB 0.358 42.468 42.059 0.083 0.000 1.246 387 L HN 0.267 nan 8.230 nan 0.000 0.526 388 Q N 0.553 120.450 119.800 0.163 0.000 2.534 388 Q HA 0.092 4.474 4.340 0.069 0.000 0.252 388 Q C 1.080 177.177 176.000 0.162 0.000 0.850 388 Q CA 0.572 56.471 55.803 0.160 0.000 0.974 388 Q CB 0.583 29.384 28.738 0.104 0.000 1.205 388 Q HN 0.030 nan 8.270 nan 0.000 0.593 389 K N 1.355 121.831 120.400 0.127 0.000 2.715 389 K HA 0.244 4.605 4.320 0.069 0.000 0.248 389 K C -1.148 175.532 176.600 0.134 0.000 1.276 389 K CA 0.060 56.414 56.287 0.112 0.000 1.209 389 K CB -0.748 31.800 32.500 0.081 0.000 1.509 389 K HN 0.166 nan 8.250 nan 0.000 0.261 390 L N 0.435 121.780 121.223 0.204 0.000 2.445 390 L HA 0.400 4.781 4.340 0.069 0.000 0.262 390 L C -0.174 176.895 176.870 0.332 0.000 0.974 390 L CA -0.940 54.051 54.840 0.251 0.000 0.822 390 L CB 2.306 44.547 42.059 0.303 0.000 1.339 390 L HN 0.214 nan 8.230 nan 0.000 0.409 391 T N -2.695 111.939 114.554 0.135 0.000 2.907 391 T HA 0.402 4.794 4.350 0.069 0.000 0.290 391 T C 0.577 174.934 174.700 -0.573 0.000 1.066 391 T CA -0.813 61.151 62.100 -0.226 0.000 1.012 391 T CB 2.183 70.941 68.868 -0.184 0.000 1.184 391 T HN 0.629 nan 8.240 nan 0.000 0.522 392 R N -0.275 119.528 120.500 -1.160 0.000 2.193 392 R HA -0.054 4.327 4.340 0.069 0.000 0.229 392 R C 0.868 176.960 176.300 -0.348 0.000 1.110 392 R CA 1.399 56.927 56.100 -0.954 0.000 0.988 392 R CB -0.370 29.279 30.300 -1.085 0.000 0.871 392 R HN 0.688 nan 8.270 nan 0.000 0.458 393 D N -0.330 119.909 120.400 -0.268 0.000 2.323 393 D HA -0.079 4.602 4.640 0.069 0.000 0.209 393 D C 1.463 177.717 176.300 -0.078 0.000 0.973 393 D CA 0.195 54.112 54.000 -0.139 0.000 0.874 393 D CB 0.194 40.928 40.800 -0.111 0.000 0.930 393 D HN 0.088 nan 8.370 nan 0.000 0.521 394 L N -0.016 121.162 121.223 -0.074 0.000 2.042 394 L HA -0.067 4.314 4.340 0.069 0.000 0.210 394 L C 1.304 178.142 176.870 -0.053 0.000 1.076 394 L CA 1.716 56.521 54.840 -0.059 0.000 0.749 394 L CB -0.006 41.990 42.059 -0.106 0.000 0.893 394 L HN 0.090 nan 8.230 nan 0.000 0.432 395 L N -0.767 120.435 121.223 -0.035 0.000 2.857 395 L HA 0.234 4.616 4.340 0.069 0.000 0.249 395 L C 0.165 177.031 176.870 -0.006 0.000 1.172 395 L CA -0.273 54.568 54.840 0.001 0.000 0.980 395 L CB -0.227 41.853 42.059 0.036 0.000 1.299 395 L HN 0.218 nan 8.230 nan 0.000 0.535 396 N N 0.128 118.807 118.700 -0.035 0.000 2.714 396 N HA -0.175 4.606 4.740 0.069 0.000 0.252 396 N C -0.123 175.315 175.510 -0.120 0.000 1.014 396 N CA 0.559 53.569 53.050 -0.068 0.000 0.735 396 N CB -1.840 36.618 38.487 -0.048 0.000 0.924 396 N HN 0.306 nan 8.380 nan 0.000 0.540 397 C N 0.600 119.838 119.300 -0.104 0.000 2.648 397 C HA 0.399 4.900 4.460 0.069 0.000 0.415 397 C C 1.303 176.122 174.990 -0.286 0.000 1.366 397 C CA -0.164 58.732 59.018 -0.204 0.000 1.756 397 C CB -0.042 27.810 27.740 0.186 0.000 2.549 397 C HN 0.489 nan 8.230 nan 0.000 0.597 398 S N 2.262 117.608 115.700 -0.590 0.000 2.536 398 S HA 0.708 5.219 4.470 0.069 0.000 0.271 398 S C -1.372 172.977 174.600 -0.418 0.000 1.134 398 S CA -0.418 57.569 58.200 -0.355 0.000 0.897 398 S CB 0.920 63.955 63.200 -0.275 0.000 1.094 398 S HN 0.576 nan 8.310 nan 0.000 0.473 399 F N 4.509 124.297 119.950 -0.270 0.000 2.460 399 F HA 0.686 5.254 4.527 0.068 0.000 0.341 399 F C -0.480 175.198 175.800 -0.203 0.000 1.130 399 F CA -0.391 57.485 58.000 -0.206 0.000 0.962 399 F CB 0.872 39.917 39.000 0.075 0.000 1.171 399 F HN 0.365 nan 8.300 nan 0.000 0.436 400 K N 5.057 125.115 120.400 -0.571 0.000 2.464 400 K HA 0.287 4.648 4.320 0.069 0.000 0.253 400 K C -1.311 175.187 176.600 -0.170 0.000 0.933 400 K CA -0.665 55.468 56.287 -0.256 0.000 0.801 400 K CB 1.829 34.224 32.500 -0.175 0.000 1.271 400 K HN 0.690 nan 8.250 nan 0.000 0.430 401 C N 2.438 121.767 119.300 0.048 0.000 2.629 401 C HA 0.191 4.692 4.460 0.069 0.000 0.410 401 C C 1.638 176.780 174.990 0.253 0.000 1.339 401 C CA 0.317 59.427 59.018 0.153 0.000 1.810 401 C CB -1.173 26.686 27.740 0.199 0.000 2.549 401 C HN 0.863 nan 8.230 nan 0.000 0.589 402 S N 3.527 119.439 115.700 0.354 0.000 2.559 402 S HA 0.227 4.738 4.470 0.069 0.000 0.226 402 S C -0.299 174.543 174.600 0.402 0.000 1.030 402 S CA -0.130 58.295 58.200 0.375 0.000 0.956 402 S CB 0.062 63.457 63.200 0.325 0.000 0.900 402 S HN 0.934 nan 8.310 nan 0.000 0.510 403 Y N 1.474 121.927 120.300 0.255 0.000 2.436 403 Y HA 0.549 5.140 4.550 0.069 0.000 0.327 403 Y C -1.383 174.600 175.900 0.137 0.000 1.138 403 Y CA -1.178 57.004 58.100 0.136 0.000 1.042 403 Y CB 1.909 40.349 38.460 -0.034 0.000 1.302 403 Y HN 0.264 nan 8.280 nan 0.000 0.439 404 V N 2.886 122.557 119.914 -0.406 0.000 2.962 404 V HA 0.860 5.021 4.120 0.069 0.000 0.313 404 V C -1.631 174.120 176.094 -0.572 0.000 1.099 404 V CA -1.060 61.032 62.300 -0.347 0.000 0.971 404 V CB 1.595 33.345 31.823 -0.122 0.000 1.028 404 V HN 0.550 nan 8.190 nan 0.000 0.430 405 V N 2.456 122.164 119.914 -0.343 0.000 2.328 405 V HA 0.609 4.771 4.120 0.069 0.000 0.278 405 V C 0.152 176.151 176.094 -0.157 0.000 1.021 405 V CA 0.105 62.257 62.300 -0.247 0.000 0.838 405 V CB 1.286 33.029 31.823 -0.133 0.000 0.999 405 V HN 1.098 nan 8.190 nan 0.000 0.447 406 T N 3.892 118.363 114.554 -0.138 0.000 2.841 406 T HA 0.378 4.770 4.350 0.069 0.000 0.285 406 T C 0.334 174.986 174.700 -0.080 0.000 0.991 406 T CA -0.478 61.557 62.100 -0.107 0.000 0.966 406 T CB 0.681 69.492 68.868 -0.094 0.000 0.962 406 T HN 0.785 nan 8.240 nan 0.000 0.438 407 N N 1.798 120.456 118.700 -0.071 0.000 2.735 407 N HA -0.222 4.559 4.740 0.069 0.000 0.248 407 N C 1.060 176.546 175.510 -0.041 0.000 1.083 407 N CA 0.842 53.861 53.050 -0.051 0.000 0.703 407 N CB -0.983 37.478 38.487 -0.043 0.000 1.005 407 N HN 1.212 nan 8.380 nan 0.000 0.550 408 G N -1.494 107.280 108.800 -0.043 0.000 2.184 408 G HA2 -0.323 3.678 3.960 0.069 0.000 0.264 408 G HA3 -0.323 3.678 3.960 0.069 0.000 0.264 408 G C -0.015 174.869 174.900 -0.026 0.000 0.975 408 G CA 0.626 45.709 45.100 -0.028 0.000 0.642 408 G HN 0.371 nan 8.290 nan 0.000 0.536 409 L N 0.998 122.195 121.223 -0.043 0.000 2.313 409 L HA 0.667 5.048 4.340 0.069 0.000 0.283 409 L C 1.073 177.892 176.870 -0.086 0.000 1.013 409 L CA -0.598 54.219 54.840 -0.040 0.000 0.816 409 L CB 1.891 43.931 42.059 -0.031 0.000 1.236 409 L HN 0.154 nan 8.230 nan 0.000 0.419 410 G N 3.788 112.550 108.800 -0.064 0.000 2.380 410 G HA2 0.449 4.450 3.960 0.069 0.000 0.262 410 G HA3 0.449 4.450 3.960 0.069 0.000 0.262 410 G C -0.744 174.067 174.900 -0.149 0.000 1.243 410 G CA -0.181 44.802 45.100 -0.195 0.000 0.865 410 G HN 0.610 nan 8.290 nan 0.000 0.513 411 I N 1.553 121.940 120.570 -0.305 0.000 2.498 411 I HA 0.345 4.556 4.170 0.069 0.000 0.290 411 I C -1.034 175.067 176.117 -0.027 0.000 1.032 411 I CA -1.318 59.922 61.300 -0.101 0.000 1.073 411 I CB 1.826 39.783 38.000 -0.073 0.000 1.251 411 I HN 0.252 nan 8.210 nan 0.000 0.426 412 N N 7.612 126.391 118.700 0.132 0.000 2.420 412 N HA 0.293 5.074 4.740 0.069 0.000 0.262 412 N C -0.430 175.235 175.510 0.258 0.000 1.144 412 N CA -0.147 53.039 53.050 0.227 0.000 0.952 412 N CB 1.494 40.099 38.487 0.197 0.000 1.081 412 N HN 0.484 nan 8.380 nan 0.000 0.480 413 V N -0.009 120.064 119.914 0.264 0.000 2.815 413 V HA 0.966 5.128 4.120 0.069 0.000 0.314 413 V C -0.571 175.736 176.094 0.355 0.000 1.064 413 V CA -0.918 61.514 62.300 0.220 0.000 0.952 413 V CB 1.342 33.221 31.823 0.094 0.000 1.020 413 V HN 0.545 nan 8.190 nan 0.000 0.439 414 F N 0.317 120.316 119.950 0.081 0.000 2.744 414 F HA 0.749 5.318 4.527 0.069 0.000 0.311 414 F C -0.965 174.872 175.800 0.062 0.000 1.144 414 F CA -1.246 56.803 58.000 0.083 0.000 0.938 414 F CB 1.445 40.485 39.000 0.068 0.000 1.292 414 F HN 0.821 nan 8.300 nan 0.000 0.444 415 K N 0.455 120.944 120.400 0.149 0.000 2.118 415 K HA 0.690 5.051 4.320 0.069 0.000 0.254 415 K C -1.644 175.098 176.600 0.236 0.000 0.961 415 K CA -0.667 55.657 56.287 0.063 0.000 0.876 415 K CB 2.084 34.614 32.500 0.049 0.000 1.077 415 K HN 0.709 nan 8.250 nan 0.000 0.440 416 D N 2.235 122.731 120.400 0.161 0.000 2.978 416 D HA 0.277 4.958 4.640 0.069 0.000 0.268 416 D C -2.564 173.796 176.300 0.101 0.000 1.252 416 D CA -1.332 52.784 54.000 0.193 0.000 0.771 416 D CB 0.662 41.664 40.800 0.336 0.000 1.361 416 D HN 0.377 nan 8.370 nan 0.000 0.558 417 P HA 0.016 nan 4.420 nan 0.000 0.267 417 P C 1.208 178.532 177.300 0.040 0.000 1.205 417 P CA -0.392 62.732 63.100 0.040 0.000 0.765 417 P CB 1.479 33.197 31.700 0.030 0.000 0.828 418 V N 3.313 123.246 119.914 0.032 0.000 2.392 418 V HA -0.255 3.907 4.120 0.069 0.000 0.249 418 V C 1.744 177.853 176.094 0.024 0.000 1.059 418 V CA 2.700 65.018 62.300 0.029 0.000 1.051 418 V CB -0.926 30.911 31.823 0.023 0.000 0.658 418 V HN 0.691 nan 8.190 nan 0.000 0.455 419 A N -1.375 121.457 122.820 0.019 0.000 2.275 419 A HA 0.185 4.546 4.320 0.069 0.000 0.212 419 A C 0.707 178.300 177.584 0.016 0.000 1.201 419 A CA 0.706 52.752 52.037 0.015 0.000 0.843 419 A CB -0.077 18.930 19.000 0.011 0.000 0.873 419 A HN 0.564 nan 8.150 nan 0.000 0.492 420 D N -1.279 119.133 120.400 0.020 0.000 2.381 420 D HA 0.297 4.978 4.640 0.069 0.000 0.245 420 D C -2.446 173.870 176.300 0.027 0.000 1.297 420 D CA -1.374 52.638 54.000 0.020 0.000 0.931 420 D CB 1.296 42.105 40.800 0.015 0.000 1.334 420 D HN -0.095 nan 8.370 nan 0.000 0.535 421 P HA -0.062 nan 4.420 nan 0.000 0.221 421 P C 1.094 178.412 177.300 0.030 0.000 1.145 421 P CA 0.609 63.728 63.100 0.032 0.000 0.795 421 P CB 0.381 32.096 31.700 0.025 0.000 0.775 422 N N -0.170 118.544 118.700 0.023 0.000 2.289 422 N HA -0.123 4.658 4.740 0.069 0.000 0.184 422 N C 1.234 176.757 175.510 0.022 0.000 1.016 422 N CA 1.053 54.114 53.050 0.020 0.000 0.872 422 N CB -0.315 38.180 38.487 0.014 0.000 0.973 422 N HN 0.319 nan 8.380 nan 0.000 0.433 423 K N 0.641 121.057 120.400 0.027 0.000 2.444 423 K HA 0.073 4.434 4.320 0.069 0.000 0.193 423 K C 0.608 177.243 176.600 0.059 0.000 1.024 423 K CA -0.272 56.033 56.287 0.030 0.000 1.077 423 K CB 0.423 32.937 32.500 0.024 0.000 0.833 423 K HN 0.107 nan 8.250 nan 0.000 0.517 424 R N 2.216 122.759 120.500 0.072 0.000 2.538 424 R HA -0.038 4.343 4.340 0.069 0.000 0.282 424 R C -0.166 176.205 176.300 0.119 0.000 1.009 424 R CA 0.313 56.479 56.100 0.110 0.000 1.063 424 R CB 0.432 30.781 30.300 0.080 0.000 0.945 424 R HN 0.047 nan 8.270 nan 0.000 0.414 425 S N 2.995 118.806 115.700 0.186 0.000 2.718 425 S HA 0.418 4.929 4.470 0.069 0.000 0.300 425 S C -0.624 174.094 174.600 0.196 0.000 1.117 425 S CA -1.036 57.303 58.200 0.231 0.000 1.002 425 S CB 1.728 65.090 63.200 0.269 0.000 1.092 425 S HN 0.580 nan 8.310 nan 0.000 0.542 426 K N 0.650 121.154 120.400 0.174 0.000 2.168 426 K HA 0.341 4.702 4.320 0.069 0.000 0.258 426 K C -0.391 176.210 176.600 0.002 0.000 1.010 426 K CA -0.416 55.835 56.287 -0.060 0.000 0.929 426 K CB 0.529 32.810 32.500 -0.365 0.000 0.998 426 K HN 0.500 nan 8.250 nan 0.000 0.479 427 K N 0.941 121.309 120.400 -0.052 0.000 2.182 427 K HA 0.415 4.776 4.320 0.069 0.000 0.262 427 K C 0.120 176.733 176.600 0.021 0.000 0.957 427 K CA -0.493 55.814 56.287 0.034 0.000 0.842 427 K CB 1.708 34.177 32.500 -0.052 0.000 1.099 427 K HN 0.831 nan 8.250 nan 0.000 0.438 428 G N 2.041 110.914 108.800 0.123 0.000 2.698 428 G HA2 -0.291 3.711 3.960 0.069 0.000 0.233 428 G HA3 -0.291 3.711 3.960 0.069 0.000 0.233 428 G C -0.790 174.026 174.900 -0.140 0.000 1.352 428 G CA -0.707 44.436 45.100 0.072 0.000 0.879 428 G HN 0.632 nan 8.290 nan 0.000 0.567 429 R N -0.586 119.613 120.500 -0.501 0.000 2.491 429 R HA 0.497 4.878 4.340 0.069 0.000 0.283 429 R C 0.299 176.450 176.300 -0.247 0.000 1.072 429 R CA -0.064 55.631 56.100 -0.674 0.000 1.048 429 R CB 0.287 30.043 30.300 -0.907 0.000 0.983 429 R HN 0.427 nan 8.270 nan 0.000 0.450 430 L N 1.415 122.611 121.223 -0.045 0.000 2.333 430 L HA 0.551 4.932 4.340 0.069 0.000 0.269 430 L C -0.117 176.744 176.870 -0.013 0.000 1.010 430 L CA -0.696 54.122 54.840 -0.037 0.000 0.818 430 L CB 2.085 44.092 42.059 -0.087 0.000 1.306 430 L HN 0.748 nan 8.230 nan 0.000 0.430 431 S N 1.615 117.287 115.700 -0.048 0.000 2.556 431 S HA 0.725 5.236 4.470 0.069 0.000 0.271 431 S C -1.301 173.166 174.600 -0.220 0.000 1.135 431 S CA -0.802 57.328 58.200 -0.116 0.000 0.858 431 S CB 2.284 65.458 63.200 -0.043 0.000 1.114 431 S HN 0.434 nan 8.310 nan 0.000 0.468 432 L N 1.874 122.873 121.223 -0.373 0.000 2.322 432 L HA 0.765 5.146 4.340 0.069 0.000 0.281 432 L C -1.388 175.200 176.870 -0.469 0.000 1.014 432 L CA 0.075 54.754 54.840 -0.268 0.000 0.815 432 L CB 1.124 43.124 42.059 -0.098 0.000 1.247 432 L HN 0.978 nan 8.230 nan 0.000 0.421 433 H N 2.851 121.930 119.070 0.016 0.000 2.895 433 H HA 0.651 5.249 4.556 0.069 0.000 0.373 433 H C -0.747 174.590 175.328 0.014 0.000 1.174 433 H CA -1.070 54.980 56.048 0.003 0.000 1.144 433 H CB 1.293 30.971 29.762 -0.140 0.000 1.793 433 H HN 0.351 nan 8.280 nan 0.000 0.551 434 R N 1.153 121.729 120.500 0.128 0.000 2.438 434 R HA 0.189 4.571 4.340 0.069 0.000 0.287 434 R C 0.081 176.436 176.300 0.092 0.000 1.077 434 R CA -0.319 55.748 56.100 -0.054 0.000 1.034 434 R CB 0.265 30.518 30.300 -0.078 0.000 0.993 434 R HN 0.848 nan 8.270 nan 0.000 0.459 435 T N -0.807 113.765 114.554 0.030 0.000 2.874 435 T HA 0.249 4.640 4.350 0.069 0.000 0.281 435 T C -1.596 173.151 174.700 0.078 0.000 0.994 435 T CA -1.682 60.519 62.100 0.169 0.000 1.015 435 T CB 1.138 70.076 68.868 0.118 0.000 1.028 435 T HN 0.198 nan 8.240 nan 0.000 0.523 436 P HA 0.001 nan 4.420 nan 0.000 0.217 436 P C 1.216 178.510 177.300 -0.011 0.000 1.148 436 P CA 1.183 64.283 63.100 0.001 0.000 0.828 436 P CB -0.239 31.443 31.700 -0.029 0.000 0.783 437 A N -1.217 121.600 122.820 -0.006 0.000 2.259 437 A HA 0.441 4.802 4.320 0.069 0.000 0.208 437 A C 1.556 179.115 177.584 -0.042 0.000 1.201 437 A CA 0.665 52.691 52.037 -0.018 0.000 0.824 437 A CB -1.240 17.756 19.000 -0.007 0.000 0.838 437 A HN 0.249 nan 8.150 nan 0.000 0.485 438 G N -0.622 108.136 108.800 -0.069 0.000 2.136 438 G HA2 -0.270 3.731 3.960 0.069 0.000 0.242 438 G HA3 -0.270 3.731 3.960 0.069 0.000 0.242 438 G C 0.052 174.814 174.900 -0.231 0.000 0.989 438 G CA 0.396 45.413 45.100 -0.137 0.000 0.682 438 G HN 0.659 nan 8.290 nan 0.000 0.522 439 N N -1.165 117.424 118.700 -0.186 0.000 2.620 439 N HA 0.805 5.586 4.740 0.069 0.000 0.307 439 N C -0.352 174.932 175.510 -0.377 0.000 1.316 439 N CA -0.571 52.367 53.050 -0.187 0.000 0.931 439 N CB 0.495 38.985 38.487 0.004 0.000 1.116 439 N HN 0.094 nan 8.380 nan 0.000 0.573 440 F N -0.225 119.748 119.950 0.039 0.000 2.546 440 F HA 0.663 5.231 4.527 0.068 0.000 0.320 440 F C -0.343 175.455 175.800 -0.003 0.000 1.076 440 F CA -0.859 57.158 58.000 0.029 0.000 0.928 440 F CB 1.681 40.702 39.000 0.035 0.000 1.189 440 F HN -0.035 nan 8.300 nan 0.000 0.465 441 V N 1.430 121.426 119.914 0.136 0.000 2.733 441 V HA 0.512 4.673 4.120 0.069 0.000 0.306 441 V C -0.974 175.108 176.094 -0.020 0.000 1.084 441 V CA -0.275 62.025 62.300 -0.001 0.000 0.905 441 V CB 2.311 34.036 31.823 -0.163 0.000 1.010 441 V HN 0.783 nan 8.190 nan 0.000 0.424 442 T N 8.038 122.574 114.554 -0.030 0.000 2.733 442 T HA 0.526 4.917 4.350 0.069 0.000 0.294 442 T C -0.211 174.447 174.700 -0.070 0.000 0.956 442 T CA -0.074 61.994 62.100 -0.053 0.000 0.987 442 T CB 0.442 69.267 68.868 -0.072 0.000 0.920 442 T HN 0.492 nan 8.240 nan 0.000 0.470 443 L N 3.859 125.057 121.223 -0.042 0.000 2.292 443 L HA 0.446 4.828 4.340 0.069 0.000 0.284 443 L C 0.803 177.636 176.870 -0.063 0.000 1.065 443 L CA -0.535 54.277 54.840 -0.047 0.000 0.806 443 L CB 0.940 42.993 42.059 -0.011 0.000 1.175 443 L HN 0.589 nan 8.230 nan 0.000 0.431 444 E N 1.549 121.704 120.200 -0.075 0.000 2.259 444 E HA 0.260 4.651 4.350 0.069 0.000 0.257 444 E C -0.360 176.191 176.600 -0.081 0.000 0.998 444 E CA -0.782 55.561 56.400 -0.095 0.000 0.866 444 E CB 0.959 30.596 29.700 -0.105 0.000 1.220 444 E HN 0.488 nan 8.360 nan 0.000 0.415 445 E N -0.352 119.797 120.200 -0.086 0.000 2.539 445 E HA -0.297 4.094 4.350 0.069 0.000 0.253 445 E C 0.488 177.030 176.600 -0.095 0.000 1.145 445 E CA 0.296 56.654 56.400 -0.069 0.000 0.738 445 E CB -1.731 27.946 29.700 -0.039 0.000 1.308 445 E HN 0.969 nan 8.360 nan 0.000 0.409 446 G N -0.063 108.650 108.800 -0.144 0.000 2.168 446 G HA2 -0.435 3.566 3.960 0.069 0.000 0.263 446 G HA3 -0.435 3.566 3.960 0.069 0.000 0.263 446 G C 0.755 175.611 174.900 -0.075 0.000 0.977 446 G CA 0.860 45.870 45.100 -0.149 0.000 0.659 446 G HN 0.397 nan 8.290 nan 0.000 0.533 447 K N 0.137 120.508 120.400 -0.049 0.000 2.360 447 K HA 0.004 4.366 4.320 0.069 0.000 0.201 447 K C 2.624 179.222 176.600 -0.003 0.000 1.046 447 K CA 0.879 57.154 56.287 -0.021 0.000 0.940 447 K CB -0.326 32.166 32.500 -0.013 0.000 0.748 447 K HN 0.432 nan 8.250 nan 0.000 0.465 448 G N 1.312 110.124 108.800 0.021 0.000 2.470 448 G HA2 -0.214 3.787 3.960 0.069 0.000 0.220 448 G HA3 -0.214 3.787 3.960 0.069 0.000 0.220 448 G C 0.872 175.801 174.900 0.049 0.000 1.121 448 G CA 0.617 45.766 45.100 0.081 0.000 0.766 448 G HN 0.242 nan 8.290 nan 0.000 0.553 449 D N 0.456 120.863 120.400 0.011 0.000 2.312 449 D HA -0.005 4.676 4.640 0.069 0.000 0.211 449 D C 2.375 178.674 176.300 -0.002 0.000 0.964 449 D CA 0.180 54.181 54.000 0.001 0.000 0.877 449 D CB 0.052 40.839 40.800 -0.021 0.000 0.924 449 D HN 0.328 nan 8.370 nan 0.000 0.515 450 L N 0.245 121.465 121.223 -0.006 0.000 2.551 450 L HA -0.065 4.317 4.340 0.069 0.000 0.228 450 L C 0.446 177.306 176.870 -0.015 0.000 1.153 450 L CA 0.243 55.077 54.840 -0.012 0.000 0.851 450 L CB -0.413 41.639 42.059 -0.012 0.000 0.959 450 L HN -0.104 nan 8.230 nan 0.000 0.451 451 E N -0.117 120.077 120.200 -0.009 0.000 2.660 451 E HA -0.276 4.116 4.350 0.069 0.000 0.260 451 E C 1.026 177.603 176.600 -0.038 0.000 1.122 451 E CA 0.749 57.143 56.400 -0.010 0.000 0.755 451 E CB -0.939 28.761 29.700 0.000 0.000 1.345 451 E HN 0.542 nan 8.360 nan 0.000 0.421 452 E N -1.413 118.754 120.200 -0.055 0.000 2.208 452 E HA -0.089 4.303 4.350 0.069 0.000 0.193 452 E C 0.363 176.808 176.600 -0.259 0.000 0.988 452 E CA 0.733 57.050 56.400 -0.139 0.000 0.828 452 E CB 0.159 29.774 29.700 -0.141 0.000 0.763 452 E HN 0.358 nan 8.360 nan 0.000 0.478 453 Y N -0.236 119.940 120.300 -0.207 0.000 2.593 453 Y HA 0.424 5.016 4.550 0.069 0.000 0.330 453 Y C 1.293 177.125 175.900 -0.114 0.000 1.223 453 Y CA -0.565 57.413 58.100 -0.204 0.000 1.350 453 Y CB 0.253 38.473 38.460 -0.399 0.000 1.499 453 Y HN -0.154 nan 8.280 nan 0.000 0.554 454 G N -0.590 108.325 108.800 0.193 0.000 2.514 454 G HA2 0.107 4.108 3.960 0.069 0.000 0.245 454 G HA3 0.107 4.108 3.960 0.069 0.000 0.245 454 G C -0.754 174.312 174.900 0.277 0.000 1.488 454 G CA -0.583 44.626 45.100 0.181 0.000 1.063 454 G HN 0.537 nan 8.290 nan 0.000 0.557 455 Q N -0.209 119.725 119.800 0.223 0.000 2.364 455 Q HA 0.078 4.460 4.340 0.069 0.000 0.267 455 Q C -0.597 175.517 176.000 0.190 0.000 0.999 455 Q CA -0.464 55.455 55.803 0.192 0.000 0.886 455 Q CB 0.600 29.413 28.738 0.125 0.000 1.243 455 Q HN 0.430 nan 8.270 nan 0.000 0.415 456 D N 3.196 123.639 120.400 0.072 0.000 2.434 456 D HA -0.047 4.635 4.640 0.069 0.000 0.252 456 D C 0.623 176.875 176.300 -0.081 0.000 1.185 456 D CA 0.420 54.309 54.000 -0.185 0.000 0.886 456 D CB 0.662 41.394 40.800 -0.113 0.000 1.148 456 D HN 0.603 nan 8.370 nan 0.000 0.483 457 L N 3.074 124.235 121.223 -0.104 0.000 2.478 457 L HA -0.009 4.373 4.340 0.069 0.000 0.223 457 L C 0.629 177.478 176.870 -0.036 0.000 1.140 457 L CA -0.130 54.706 54.840 -0.007 0.000 0.842 457 L CB -0.175 41.927 42.059 0.073 0.000 0.953 457 L HN 0.298 nan 8.230 nan 0.000 0.452 458 L N 0.498 121.687 121.223 -0.055 0.000 2.410 458 L HA 0.141 4.523 4.340 0.069 0.000 0.273 458 L C 0.219 177.114 176.870 0.042 0.000 1.144 458 L CA 0.700 55.530 54.840 -0.016 0.000 0.863 458 L CB -0.189 41.855 42.059 -0.025 0.000 1.140 458 L HN 0.009 nan 8.230 nan 0.000 0.463 459 H N 1.720 120.797 119.070 0.012 0.000 2.524 459 H HA 0.327 4.924 4.556 0.069 0.000 0.353 459 H C -0.693 174.676 175.328 0.068 0.000 1.136 459 H CA -0.630 55.445 56.048 0.045 0.000 1.193 459 H CB 1.599 31.402 29.762 0.069 0.000 1.558 459 H HN 0.497 nan 8.280 nan 0.000 0.515 460 T N 4.090 118.696 114.554 0.088 0.000 2.793 460 T HA 0.051 4.443 4.350 0.069 0.000 0.289 460 T C 1.674 176.505 174.700 0.218 0.000 0.956 460 T CA 0.027 62.206 62.100 0.133 0.000 1.177 460 T CB 0.006 68.904 68.868 0.050 0.000 0.897 460 T HN 0.526 nan 8.240 nan 0.000 0.533 461 V N 1.258 121.294 119.914 0.203 0.000 3.621 461 V HA 0.543 4.704 4.120 0.069 0.000 0.263 461 V C 0.046 176.267 176.094 0.211 0.000 1.272 461 V CA -0.032 62.383 62.300 0.192 0.000 1.080 461 V CB -0.346 31.603 31.823 0.209 0.000 0.816 461 V HN 0.644 nan 8.190 nan 0.000 0.451 462 F N 1.036 121.009 119.950 0.040 0.000 2.588 462 F HA 0.750 5.318 4.527 0.069 0.000 0.314 462 F C -0.800 175.013 175.800 0.021 0.000 1.134 462 F CA -0.810 57.203 58.000 0.020 0.000 0.961 462 F CB 1.788 40.792 39.000 0.007 0.000 1.239 462 F HN -0.064 nan 8.300 nan 0.000 0.448 463 K N 4.844 124.955 120.400 -0.481 0.000 2.588 463 K HA 0.272 4.634 4.320 0.069 0.000 0.250 463 K C -0.884 175.436 176.600 -0.468 0.000 0.972 463 K CA -0.562 55.546 56.287 -0.298 0.000 0.821 463 K CB 0.982 33.407 32.500 -0.124 0.000 1.249 463 K HN 0.771 nan 8.250 nan 0.000 0.442 464 N N 2.574 121.076 118.700 -0.329 0.000 2.725 464 N HA -0.223 4.558 4.740 0.069 0.000 0.251 464 N C 0.490 175.858 175.510 -0.236 0.000 1.031 464 N CA 1.753 54.651 53.050 -0.252 0.000 0.720 464 N CB -1.158 37.200 38.487 -0.215 0.000 0.930 464 N HN 1.118 nan 8.380 nan 0.000 0.543 465 G N -1.999 106.545 108.800 -0.428 0.000 2.195 465 G HA2 -0.313 3.688 3.960 0.069 0.000 0.246 465 G HA3 -0.313 3.688 3.960 0.069 0.000 0.246 465 G C -0.128 174.609 174.900 -0.271 0.000 0.984 465 G CA 0.594 45.612 45.100 -0.136 0.000 0.633 465 G HN 0.374 nan 8.290 nan 0.000 0.525 466 K N 0.675 120.762 120.400 -0.521 0.000 2.221 466 K HA 0.642 5.003 4.320 0.069 0.000 0.258 466 K C 0.027 176.403 176.600 -0.373 0.000 0.944 466 K CA -0.790 55.314 56.287 -0.305 0.000 0.823 466 K CB 2.605 34.999 32.500 -0.176 0.000 1.113 466 K HN 0.095 nan 8.250 nan 0.000 0.431 467 V N 3.193 123.037 119.914 -0.117 0.000 2.439 467 V HA 0.004 4.166 4.120 0.069 0.000 0.271 467 V C 1.527 177.596 176.094 -0.041 0.000 1.040 467 V CA 0.317 62.614 62.300 -0.005 0.000 1.002 467 V CB 0.485 32.339 31.823 0.051 0.000 1.000 467 V HN 0.958 nan 8.190 nan 0.000 0.477 468 T N 1.511 116.051 114.554 -0.023 0.000 3.014 468 T HA 0.213 4.605 4.350 0.069 0.000 0.250 468 T C 0.462 175.152 174.700 -0.018 0.000 1.060 468 T CA -0.049 62.037 62.100 -0.023 0.000 1.040 468 T CB 0.262 69.126 68.868 -0.008 0.000 0.971 468 T HN 0.480 nan 8.240 nan 0.000 0.497 469 K N 1.440 121.821 120.400 -0.031 0.000 2.535 469 K HA 0.524 4.885 4.320 0.069 0.000 0.251 469 K C -1.388 175.081 176.600 -0.218 0.000 0.942 469 K CA -0.467 55.728 56.287 -0.153 0.000 0.798 469 K CB 1.989 34.383 32.500 -0.178 0.000 1.267 469 K HN 0.240 nan 8.250 nan 0.000 0.434 470 S N 1.887 117.385 115.700 -0.337 0.000 2.632 470 S HA 0.636 5.148 4.470 0.069 0.000 0.289 470 S C -1.268 173.052 174.600 -0.467 0.000 1.115 470 S CA -0.772 57.267 58.200 -0.268 0.000 0.889 470 S CB 0.824 63.967 63.200 -0.095 0.000 1.116 470 S HN 0.449 nan 8.310 nan 0.000 0.486 471 Y N 0.774 121.146 120.300 0.121 0.000 2.462 471 Y HA 0.611 5.203 4.550 0.070 0.000 0.346 471 Y C 0.763 176.816 175.900 0.255 0.000 0.976 471 Y CA -0.785 57.412 58.100 0.161 0.000 1.044 471 Y CB 2.088 40.654 38.460 0.177 0.000 1.230 471 Y HN 0.939 nan 8.280 nan 0.000 0.455 472 S N 1.267 117.171 115.700 0.339 0.000 2.614 472 S HA 0.139 4.651 4.470 0.069 0.000 0.265 472 S C 0.600 175.415 174.600 0.359 0.000 1.303 472 S CA -0.476 57.919 58.200 0.326 0.000 1.000 472 S CB 0.492 63.816 63.200 0.206 0.000 0.935 472 S HN 0.674 nan 8.310 nan 0.000 0.551 473 F N 1.144 121.210 119.950 0.193 0.000 2.293 473 F HA -0.027 4.541 4.527 0.067 0.000 0.300 473 F C 1.691 177.486 175.800 -0.008 0.000 1.086 473 F CA 1.458 59.481 58.000 0.038 0.000 1.375 473 F CB -0.339 38.663 39.000 0.003 0.000 1.045 473 F HN 0.630 nan 8.300 nan 0.000 0.516 474 D N 0.206 120.669 120.400 0.105 0.000 2.117 474 D HA -0.168 4.513 4.640 0.069 0.000 0.198 474 D C 2.085 178.365 176.300 -0.034 0.000 0.982 474 D CA 1.454 55.464 54.000 0.017 0.000 0.828 474 D CB -0.383 40.458 40.800 0.068 0.000 0.967 474 D HN 0.446 nan 8.370 nan 0.000 0.464 475 E N 0.397 120.617 120.200 0.033 0.000 2.077 475 E HA -0.118 4.273 4.350 0.069 0.000 0.193 475 E C 2.382 178.963 176.600 -0.032 0.000 0.989 475 E CA 0.497 56.928 56.400 0.052 0.000 0.800 475 E CB -0.060 29.747 29.700 0.177 0.000 0.746 475 E HN 0.304 nan 8.360 nan 0.000 0.452 476 I N 0.840 121.341 120.570 -0.116 0.000 2.226 476 I HA -0.277 3.935 4.170 0.069 0.000 0.245 476 I C 2.537 178.436 176.117 -0.364 0.000 1.100 476 I CA 1.146 62.295 61.300 -0.251 0.000 1.374 476 I CB -0.214 37.555 38.000 -0.386 0.000 1.057 476 I HN 0.016 nan 8.210 nan 0.000 0.413 477 R N 0.673 120.892 120.500 -0.469 0.000 2.081 477 R HA -0.214 4.168 4.340 0.069 0.000 0.235 477 R C 2.351 178.502 176.300 -0.248 0.000 1.131 477 R CA 1.514 57.368 56.100 -0.411 0.000 0.960 477 R CB -0.294 29.777 30.300 -0.381 0.000 0.856 477 R HN 0.293 nan 8.270 nan 0.000 0.436 478 K N 0.568 120.866 120.400 -0.170 0.000 2.026 478 K HA -0.137 4.224 4.320 0.069 0.000 0.208 478 K C 1.637 178.169 176.600 -0.113 0.000 1.048 478 K CA 1.579 57.799 56.287 -0.112 0.000 0.929 478 K CB 0.026 32.491 32.500 -0.057 0.000 0.713 478 K HN 0.082 nan 8.250 nan 0.000 0.439 479 N N 0.467 119.107 118.700 -0.100 0.000 2.223 479 N HA -0.122 4.660 4.740 0.069 0.000 0.185 479 N C 1.196 176.616 175.510 -0.149 0.000 1.016 479 N CA 1.313 54.298 53.050 -0.109 0.000 0.863 479 N CB -0.126 38.376 38.487 0.025 0.000 0.983 479 N HN 0.293 nan 8.380 nan 0.000 0.429 480 A N 0.508 123.233 122.820 -0.159 0.000 2.307 480 A HA 0.089 4.450 4.320 0.069 0.000 0.218 480 A C 0.749 178.230 177.584 -0.171 0.000 1.228 480 A CA -0.231 51.708 52.037 -0.164 0.000 0.857 480 A CB -0.099 18.776 19.000 -0.208 0.000 0.897 480 A HN 0.235 nan 8.150 nan 0.000 0.495 481 Q N -0.017 119.685 119.800 -0.164 0.000 2.414 481 Q HA 0.210 4.591 4.340 0.069 0.000 0.288 481 Q C -0.363 175.560 176.000 -0.128 0.000 1.086 481 Q CA 0.231 55.941 55.803 -0.154 0.000 0.943 481 Q CB 0.465 29.125 28.738 -0.130 0.000 1.282 481 Q HN 0.531 nan 8.270 nan 0.000 0.438 482 L N 1.995 123.143 121.223 -0.125 0.000 2.464 482 L HA 0.093 4.474 4.340 0.069 0.000 0.264 482 L C 0.671 177.496 176.870 -0.075 0.000 1.199 482 L CA -0.744 54.040 54.840 -0.093 0.000 0.818 482 L CB 0.115 42.118 42.059 -0.093 0.000 1.102 482 L HN 0.635 nan 8.230 nan 0.000 0.473 483 N N 0.000 118.666 118.700 -0.057 0.000 1.763 483 N HA 0.000 4.781 4.740 0.069 0.000 0.220 483 N CA 0.000 53.022 53.050 -0.047 0.000 0.885 483 N CB 0.000 38.467 38.487 -0.034 0.000 1.341 483 N HN 0.000 nan 8.380 nan 0.000 0.667