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 2p6r_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKVEELAESI SSYAVGILKE EXXXELFPPQ AEAVEKVFSG KNLLLAMPTA DATA SEQUENCE AGKTLLAEMA MVREAIKGGK SLYVVPLRAL AGEKYESFKK WEKIGLRIGI DATA SEQUENCE STGDYESRDE HLGDCDIIVT TSEKADSLIR NRASWIKAVS CLVVDEIHLL DATA SEQUENCE DSEKRGATLE ILVTKMRRMN KALRVIGLSA TAPNVTEIAE WLDADYYVSD DATA SEQUENCE WRPVPLVEGV LCEGTLELFD GAFSTSRRVK FEELVEECVA ENGGVLVFES DATA SEQUENCE TRRGAEKTAV KLSAITAKYV ENEGLEKAIL EENEGEMSRK LAECVRKGAA DATA SEQUENCE FHHAGLLNGQ RRVVEDAFRR GNIKVVVATP TLAAGVNLPA RRVIVRSLYR DATA SEQUENCE FDGYSKRIKV SEYKQMAGRA GRPGMDERGE AIIIVGKRDR EIAVKRYIFG DATA SEQUENCE EPERITSKLG VETHLRFHSL SIICDGYAKT LEELEDFFAD TFFFKQNEIS DATA SEQUENCE LSYELERVVR QLENWGMVVE AAHLAPTKLG SLVSRLYIDP LTGFIFHDVL DATA SEQUENCE SRMELSDIGA LHLICRTPDM ERLTVRKTDS WVEEEAFRLR KELSYYPSDF DATA SEQUENCE SVEYDWFLSE VKTALCLKDW IEEKDEDEIC AKYGIAPGDL RRIVETAEWL DATA SEQUENCE SNAMNRIAEE VGNTSVSGLT ERIKHGVKEE LLELVRIRHI GRVRARKLYN DATA SEQUENCE AGIRNAEDIV RHREKVASLI GRGIAERVVE GISVKS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.295 176.300 -0.008 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.014 0.000 0.988 1 M CB 0.000 32.591 32.600 -0.015 0.000 1.302 2 K N 2.747 123.144 120.400 -0.005 0.000 2.216 2 K HA 0.363 4.678 4.320 -0.009 0.000 0.207 2 K C 0.440 177.044 176.600 0.006 0.000 1.041 2 K CA 1.338 57.625 56.287 0.001 0.000 0.966 2 K CB 0.889 33.391 32.500 0.002 0.000 0.955 2 K HN 0.641 nan 8.250 nan 0.000 0.468 3 V N -0.740 119.179 119.914 0.009 0.000 3.103 3 V HA -0.029 4.085 4.120 -0.009 0.000 0.250 3 V C 1.149 177.259 176.094 0.028 0.000 1.749 3 V CA 0.135 62.446 62.300 0.020 0.000 1.013 3 V CB 0.762 32.600 31.823 0.025 0.000 0.930 3 V HN 0.134 nan 8.190 nan 0.000 0.384 4 E N 1.764 121.976 120.200 0.020 0.000 2.031 4 E HA -0.214 4.131 4.350 -0.009 0.000 0.193 4 E C 1.981 178.553 176.600 -0.047 0.000 0.994 4 E CA 2.304 58.715 56.400 0.017 0.000 0.800 4 E CB -0.021 29.682 29.700 0.006 0.000 0.752 4 E HN 0.642 nan 8.360 nan 0.000 0.447 5 E N -0.618 119.548 120.200 -0.058 0.000 2.077 5 E HA -0.175 4.169 4.350 -0.009 0.000 0.193 5 E C 2.065 178.623 176.600 -0.069 0.000 0.989 5 E CA 0.866 57.213 56.400 -0.088 0.000 0.800 5 E CB -0.149 29.514 29.700 -0.061 0.000 0.746 5 E HN 0.171 nan 8.360 nan 0.000 0.452 6 L N 0.820 122.028 121.223 -0.026 0.000 1.989 6 L HA -0.201 4.134 4.340 -0.009 0.000 0.211 6 L C 2.225 179.109 176.870 0.025 0.000 1.071 6 L CA 2.271 57.111 54.840 0.000 0.000 0.749 6 L CB -0.671 41.397 42.059 0.014 0.000 0.890 6 L HN 0.074 nan 8.230 nan 0.000 0.431 7 A N -0.926 121.924 122.820 0.051 0.000 1.908 7 A HA -0.261 4.054 4.320 -0.009 0.000 0.218 7 A C 2.157 179.820 177.584 0.130 0.000 1.181 7 A CA 2.008 54.126 52.037 0.136 0.000 0.627 7 A CB -0.728 18.404 19.000 0.220 0.000 0.818 7 A HN 0.648 nan 8.150 nan 0.000 0.445 8 E N 0.171 120.285 120.200 -0.144 0.000 2.110 8 E HA -0.157 4.188 4.350 -0.009 0.000 0.193 8 E C 2.425 178.940 176.600 -0.142 0.000 0.988 8 E CA 1.493 57.614 56.400 -0.464 0.000 0.804 8 E CB -0.188 29.078 29.700 -0.723 0.000 0.745 8 E HN 0.831 nan 8.360 nan 0.000 0.458 9 S N 1.091 116.754 115.700 -0.061 0.000 2.357 9 S HA -0.114 4.351 4.470 -0.009 0.000 0.221 9 S C 2.078 176.745 174.600 0.111 0.000 1.031 9 S CA 0.597 58.804 58.200 0.013 0.000 0.982 9 S CB -0.280 62.921 63.200 0.001 0.000 0.853 9 S HN 0.072 nan 8.310 nan 0.000 0.458 10 I N 2.756 123.407 120.570 0.134 0.000 2.163 10 I HA -0.125 4.040 4.170 -0.009 0.000 0.243 10 I C 2.664 178.956 176.117 0.293 0.000 1.085 10 I CA 1.247 62.686 61.300 0.231 0.000 1.347 10 I CB -1.994 36.128 38.000 0.204 0.000 1.044 10 I HN 0.304 nan 8.210 nan 0.000 0.408 11 S N 0.395 116.257 115.700 0.270 0.000 2.382 11 S HA -0.174 4.291 4.470 -0.009 0.000 0.228 11 S C 2.245 176.990 174.600 0.241 0.000 1.027 11 S CA 1.707 60.102 58.200 0.325 0.000 0.991 11 S CB -0.248 63.196 63.200 0.407 0.000 0.823 11 S HN 0.501 nan 8.310 nan 0.000 0.469 12 S N 0.355 116.153 115.700 0.165 0.000 2.345 12 S HA -0.144 4.321 4.470 -0.009 0.000 0.220 12 S C 1.750 176.415 174.600 0.107 0.000 1.031 12 S CA 1.295 59.561 58.200 0.110 0.000 0.996 12 S CB -0.640 62.598 63.200 0.064 0.000 0.882 12 S HN 0.663 nan 8.310 nan 0.000 0.445 13 Y N 1.906 122.234 120.300 0.047 0.000 2.193 13 Y HA -0.145 4.400 4.550 -0.008 0.000 0.285 13 Y C 2.253 178.163 175.900 0.016 0.000 1.166 13 Y CA 1.619 59.735 58.100 0.025 0.000 1.181 13 Y CB -0.744 37.727 38.460 0.019 0.000 0.976 13 Y HN 0.328 nan 8.280 nan 0.000 0.520 14 A N -0.105 122.526 122.820 -0.315 0.000 1.898 14 A HA -0.135 4.180 4.320 -0.009 0.000 0.216 14 A C 2.256 179.669 177.584 -0.285 0.000 1.181 14 A CA 1.838 53.612 52.037 -0.439 0.000 0.620 14 A CB -1.309 17.585 19.000 -0.177 0.000 0.819 14 A HN 0.363 nan 8.150 nan 0.000 0.442 15 V N 0.156 120.032 119.914 -0.063 0.000 2.568 15 V HA -0.217 3.898 4.120 -0.009 0.000 0.253 15 V C 2.694 178.750 176.094 -0.063 0.000 1.072 15 V CA 1.852 64.149 62.300 -0.006 0.000 1.084 15 V CB -1.407 30.458 31.823 0.071 0.000 0.676 15 V HN 0.629 nan 8.190 nan 0.000 0.469 16 G N 0.298 109.028 108.800 -0.117 0.000 2.408 16 G HA2 -0.157 3.798 3.960 -0.009 0.000 0.217 16 G HA3 -0.157 3.798 3.960 -0.009 0.000 0.217 16 G C 1.341 176.158 174.900 -0.138 0.000 1.150 16 G CA 0.681 45.722 45.100 -0.098 0.000 0.776 16 G HN 0.464 nan 8.290 nan 0.000 0.542 17 I N 0.314 120.729 120.570 -0.258 0.000 2.830 17 I HA 0.109 4.274 4.170 -0.009 0.000 0.263 17 I C 2.299 178.314 176.117 -0.169 0.000 1.230 17 I CA 0.611 61.771 61.300 -0.233 0.000 1.480 17 I CB -0.755 37.036 38.000 -0.348 0.000 1.095 17 I HN 0.195 nan 8.210 nan 0.000 0.455 18 L N 0.070 121.202 121.223 -0.152 0.000 2.388 18 L HA 0.062 4.397 4.340 -0.009 0.000 0.209 18 L C 2.389 179.236 176.870 -0.038 0.000 1.061 18 L CA 0.266 55.047 54.840 -0.098 0.000 0.834 18 L CB -0.196 41.805 42.059 -0.096 0.000 1.029 18 L HN 0.069 nan 8.230 nan 0.000 0.473 19 K N 0.811 121.201 120.400 -0.016 0.000 2.280 19 K HA -0.236 4.079 4.320 -0.009 0.000 0.202 19 K C 1.861 178.480 176.600 0.031 0.000 1.047 19 K CA 1.366 57.673 56.287 0.033 0.000 0.942 19 K CB 0.217 32.753 32.500 0.060 0.000 0.739 19 K HN 0.258 nan 8.250 nan 0.000 0.457 20 E N 0.424 120.624 120.200 0.000 0.000 2.076 20 E HA -0.084 4.261 4.350 -0.009 0.000 0.190 20 E C -0.107 176.492 176.600 -0.002 0.000 0.979 20 E CA 0.632 57.034 56.400 0.003 0.000 0.807 20 E CB 0.276 29.968 29.700 -0.013 0.000 0.761 20 E HN 0.332 nan 8.360 nan 0.000 0.454 26 L N 1.471 122.665 121.223 -0.049 0.000 7.985 26 L HA -0.238 4.096 4.340 -0.009 0.000 0.056 26 L C -1.491 175.354 176.870 -0.041 0.000 1.311 26 L CA 1.928 56.669 54.840 -0.165 0.000 1.361 26 L CB -0.562 41.293 42.059 -0.340 0.000 2.974 26 L HN 0.493 nan 8.230 nan 0.000 1.224 27 F N -0.492 119.544 119.950 0.144 0.000 2.556 27 F HA 0.808 5.329 4.527 -0.008 0.000 0.314 27 F C -2.419 173.438 175.800 0.095 0.000 1.106 27 F CA -1.838 56.223 58.000 0.102 0.000 0.911 27 F CB 0.969 40.006 39.000 0.063 0.000 1.190 27 F HN 0.326 nan 8.300 nan 0.000 0.448 28 P HA 0.294 nan 4.420 nan 0.000 0.212 28 P C -2.552 174.694 177.300 -0.089 0.000 1.860 28 P CA -1.077 62.047 63.100 0.040 0.000 1.135 28 P CB 0.667 32.412 31.700 0.075 0.000 1.801 29 P HA -0.026 nan 4.420 nan 0.000 0.272 29 P C -0.200 176.963 177.300 -0.228 0.000 1.243 29 P CA 0.198 63.153 63.100 -0.242 0.000 0.803 29 P CB 0.531 32.024 31.700 -0.344 0.000 0.974 30 Q N -1.155 118.546 119.800 -0.166 0.000 2.779 30 Q HA -0.135 4.200 4.340 -0.009 0.000 0.160 30 Q C 0.008 175.919 176.000 -0.149 0.000 1.477 30 Q CA 0.422 56.152 55.803 -0.122 0.000 0.547 30 Q CB -1.112 27.586 28.738 -0.067 0.000 0.695 30 Q HN 0.590 nan 8.270 nan 0.000 0.316 31 A N 3.926 126.682 122.820 -0.108 0.000 2.238 31 A HA -0.064 4.251 4.320 -0.009 0.000 0.208 31 A C 1.479 178.990 177.584 -0.121 0.000 1.177 31 A CA 0.785 52.764 52.037 -0.096 0.000 0.804 31 A CB -0.081 18.886 19.000 -0.055 0.000 0.823 31 A HN 0.831 nan 8.150 nan 0.000 0.482 32 E N 0.539 120.652 120.200 -0.146 0.000 2.085 32 E HA -0.207 4.138 4.350 -0.009 0.000 0.194 32 E C 2.076 178.512 176.600 -0.273 0.000 0.994 32 E CA 1.250 57.571 56.400 -0.131 0.000 0.801 32 E CB -0.132 29.555 29.700 -0.021 0.000 0.743 32 E HN 0.586 nan 8.360 nan 0.000 0.453 33 A N 0.635 123.087 122.820 -0.614 0.000 1.841 33 A HA -0.118 4.197 4.320 -0.009 0.000 0.214 33 A C 2.423 179.823 177.584 -0.306 0.000 1.195 33 A CA 1.511 53.093 52.037 -0.760 0.000 0.611 33 A CB -0.860 17.419 19.000 -1.202 0.000 0.835 33 A HN 0.198 nan 8.150 nan 0.000 0.443 34 V N 0.665 120.457 119.914 -0.204 0.000 2.660 34 V HA -0.260 3.855 4.120 -0.009 0.000 0.257 34 V C 2.431 178.596 176.094 0.119 0.000 1.088 34 V CA 2.124 64.413 62.300 -0.017 0.000 1.106 34 V CB -0.914 30.945 31.823 0.060 0.000 0.686 34 V HN 0.505 nan 8.190 nan 0.000 0.481 35 E N 0.318 120.536 120.200 0.031 0.000 2.047 35 E HA -0.154 4.191 4.350 -0.009 0.000 0.191 35 E C 2.342 178.982 176.600 0.067 0.000 0.987 35 E CA 0.887 57.331 56.400 0.074 0.000 0.799 35 E CB -0.170 29.530 29.700 0.000 0.000 0.752 35 E HN 0.556 nan 8.360 nan 0.000 0.449 36 K N 0.722 121.110 120.400 -0.021 0.000 2.103 36 K HA -0.106 4.209 4.320 -0.009 0.000 0.207 36 K C 2.306 178.868 176.600 -0.063 0.000 1.048 36 K CA 0.671 56.936 56.287 -0.036 0.000 0.930 36 K CB -0.632 31.836 32.500 -0.054 0.000 0.716 36 K HN 0.028 nan 8.250 nan 0.000 0.444 37 V N 0.986 120.824 119.914 -0.127 0.000 2.252 37 V HA -0.226 3.889 4.120 -0.009 0.000 0.249 37 V C 1.423 177.276 176.094 -0.401 0.000 1.056 37 V CA 1.657 63.761 62.300 -0.326 0.000 1.022 37 V CB -0.516 30.979 31.823 -0.547 0.000 0.641 37 V HN 0.140 nan 8.190 nan 0.000 0.445 38 F N -0.018 119.899 119.950 -0.055 0.000 2.954 38 F HA 0.277 4.798 4.527 -0.009 0.000 0.300 38 F C 1.347 177.123 175.800 -0.040 0.000 1.206 38 F CA 0.032 58.005 58.000 -0.046 0.000 1.345 38 F CB -0.226 38.749 39.000 -0.041 0.000 1.206 38 F HN -0.056 nan 8.300 nan 0.000 0.537 39 S N -0.656 115.075 115.700 0.053 0.000 2.603 39 S HA 0.262 4.727 4.470 -0.009 0.000 0.232 39 S C 1.980 176.585 174.600 0.009 0.000 1.016 39 S CA 0.237 58.456 58.200 0.032 0.000 0.976 39 S CB 0.668 63.872 63.200 0.008 0.000 0.921 39 S HN 0.689 nan 8.310 nan 0.000 0.516 40 G N 2.483 111.280 108.800 -0.005 0.000 2.300 40 G HA2 -0.374 3.580 3.960 -0.009 0.000 0.267 40 G HA3 -0.374 3.580 3.960 -0.009 0.000 0.267 40 G C 0.212 175.099 174.900 -0.022 0.000 0.980 40 G CA 1.241 46.333 45.100 -0.014 0.000 0.635 40 G HN 0.530 nan 8.290 nan 0.000 0.552 41 K N 0.784 121.172 120.400 -0.021 0.000 2.144 41 K HA 0.312 4.627 4.320 -0.009 0.000 0.270 41 K C 0.326 176.909 176.600 -0.029 0.000 1.005 41 K CA -0.863 55.410 56.287 -0.023 0.000 0.932 41 K CB 0.194 32.684 32.500 -0.017 0.000 1.021 41 K HN 0.110 nan 8.250 nan 0.000 0.462 42 N N 2.302 120.983 118.700 -0.032 0.000 2.293 42 N HA -0.051 4.684 4.740 -0.009 0.000 0.253 42 N C -0.622 174.880 175.510 -0.013 0.000 1.248 42 N CA 0.279 53.307 53.050 -0.036 0.000 0.845 42 N CB 0.140 38.597 38.487 -0.051 0.000 1.073 42 N HN 0.380 nan 8.380 nan 0.000 0.464 43 L N 2.137 123.356 121.223 -0.007 0.000 2.422 43 L HA 0.586 4.921 4.340 -0.009 0.000 0.264 43 L C -1.725 175.175 176.870 0.050 0.000 0.984 43 L CA -0.988 53.868 54.840 0.028 0.000 0.819 43 L CB 1.843 43.907 42.059 0.008 0.000 1.330 43 L HN 0.352 nan 8.230 nan 0.000 0.410 44 L N 5.346 126.634 121.223 0.108 0.000 2.345 44 L HA 0.591 4.926 4.340 -0.009 0.000 0.274 44 L C -1.732 175.228 176.870 0.150 0.000 0.999 44 L CA -0.266 54.639 54.840 0.109 0.000 0.849 44 L CB 1.112 43.238 42.059 0.112 0.000 1.220 44 L HN 0.586 nan 8.230 nan 0.000 0.422 45 L N 5.431 126.731 121.223 0.127 0.000 2.264 45 L HA 0.764 5.099 4.340 -0.009 0.000 0.289 45 L C 0.160 177.100 176.870 0.117 0.000 1.044 45 L CA -0.539 54.404 54.840 0.171 0.000 0.807 45 L CB 1.453 43.616 42.059 0.173 0.000 1.192 45 L HN 0.798 nan 8.230 nan 0.000 0.425 46 A N 6.148 129.022 122.820 0.091 0.000 2.291 46 A HA 0.882 5.197 4.320 -0.009 0.000 0.311 46 A C -0.505 177.090 177.584 0.019 0.000 1.224 46 A CA -0.414 51.636 52.037 0.021 0.000 0.821 46 A CB 0.873 19.858 19.000 -0.026 0.000 1.172 46 A HN 0.762 nan 8.150 nan 0.000 0.494 47 M N 4.558 124.177 119.600 0.031 0.000 2.371 47 M HA 0.340 4.815 4.480 -0.009 0.000 0.287 47 M C -1.851 174.457 176.300 0.014 0.000 1.149 47 M CA -1.643 53.692 55.300 0.059 0.000 0.929 47 M CB 3.147 35.844 32.600 0.161 0.000 1.683 47 M HN 0.442 nan 8.290 nan 0.000 0.470 48 P HA -0.159 nan 4.420 nan 0.000 0.217 48 P C 0.209 177.480 177.300 -0.047 0.000 1.158 48 P CA 1.590 64.662 63.100 -0.046 0.000 0.887 48 P CB 0.017 31.686 31.700 -0.052 0.000 0.792 49 T N -0.874 113.666 114.554 -0.023 0.000 2.925 49 T HA 0.509 4.854 4.350 -0.009 0.000 0.285 49 T C 1.295 176.018 174.700 0.038 0.000 1.021 49 T CA 0.035 62.125 62.100 -0.018 0.000 1.042 49 T CB 1.677 70.507 68.868 -0.064 0.000 1.037 49 T HN -0.065 nan 8.240 nan 0.000 0.481 50 A N 1.491 124.339 122.820 0.047 0.000 2.172 50 A HA 0.277 4.592 4.320 -0.009 0.000 0.216 50 A C 2.194 179.844 177.584 0.110 0.000 1.154 50 A CA 1.334 53.425 52.037 0.089 0.000 0.701 50 A CB -1.019 18.039 19.000 0.096 0.000 0.789 50 A HN 0.977 nan 8.150 nan 0.000 0.465 51 A N 0.124 122.997 122.820 0.088 0.000 2.573 51 A HA -0.088 4.227 4.320 -0.009 0.000 0.211 51 A C 2.464 180.148 177.584 0.167 0.000 1.231 51 A CA 2.348 54.450 52.037 0.109 0.000 0.977 51 A CB -1.676 17.374 19.000 0.084 0.000 0.761 51 A HN 1.016 nan 8.150 nan 0.000 0.549 52 G N -1.149 107.796 108.800 0.241 0.000 2.469 52 G HA2 -0.281 3.674 3.960 -0.009 0.000 0.219 52 G HA3 -0.281 3.674 3.960 -0.009 0.000 0.219 52 G C 1.588 176.592 174.900 0.174 0.000 1.150 52 G CA 1.404 46.643 45.100 0.231 0.000 0.763 52 G HN 0.667 nan 8.290 nan 0.000 0.561 53 K N -0.335 120.171 120.400 0.177 0.000 2.052 53 K HA -0.169 4.146 4.320 -0.009 0.000 0.215 53 K C 2.757 179.455 176.600 0.164 0.000 1.053 53 K CA 2.047 58.430 56.287 0.159 0.000 0.934 53 K CB -0.448 32.142 32.500 0.150 0.000 0.717 53 K HN 0.318 nan 8.250 nan 0.000 0.450 54 T N 1.718 116.384 114.554 0.186 0.000 2.698 54 T HA -0.121 4.224 4.350 -0.009 0.000 0.260 54 T C 1.826 176.608 174.700 0.138 0.000 1.044 54 T CA 1.026 63.260 62.100 0.223 0.000 1.149 54 T CB -0.330 68.682 68.868 0.239 0.000 0.864 54 T HN 0.100 nan 8.240 nan 0.000 0.419 55 L N 1.075 122.374 121.223 0.126 0.000 1.978 55 L HA -0.106 4.228 4.340 -0.009 0.000 0.218 55 L C 2.322 179.199 176.870 0.013 0.000 1.075 55 L CA 1.679 56.575 54.840 0.094 0.000 0.767 55 L CB -0.741 41.392 42.059 0.124 0.000 0.890 55 L HN 0.242 nan 8.230 nan 0.000 0.434 56 L N -0.831 120.408 121.223 0.026 0.000 2.021 56 L HA -0.308 4.027 4.340 -0.009 0.000 0.215 56 L C 2.641 179.452 176.870 -0.099 0.000 1.074 56 L CA 1.563 56.381 54.840 -0.038 0.000 0.760 56 L CB -0.855 41.202 42.059 -0.002 0.000 0.889 56 L HN 0.464 nan 8.230 nan 0.000 0.433 57 A N -0.603 122.201 122.820 -0.026 0.000 1.972 57 A HA -0.208 4.107 4.320 -0.009 0.000 0.219 57 A C 2.132 179.610 177.584 -0.176 0.000 1.169 57 A CA 1.597 53.623 52.037 -0.019 0.000 0.635 57 A CB -0.395 18.719 19.000 0.189 0.000 0.810 57 A HN 0.502 nan 8.150 nan 0.000 0.446 58 E N -0.611 119.415 120.200 -0.290 0.000 2.051 58 E HA -0.190 4.155 4.350 -0.009 0.000 0.192 58 E C 2.059 178.211 176.600 -0.746 0.000 0.991 58 E CA 1.406 57.407 56.400 -0.666 0.000 0.799 58 E CB -0.310 28.991 29.700 -0.667 0.000 0.748 58 E HN 0.665 nan 8.360 nan 0.000 0.449 59 M N 0.646 119.924 119.600 -0.538 0.000 2.108 59 M HA -0.187 4.287 4.480 -0.009 0.000 0.261 59 M C 2.492 178.488 176.300 -0.505 0.000 1.066 59 M CA 1.546 56.543 55.300 -0.506 0.000 1.107 59 M CB -0.277 32.107 32.600 -0.361 0.000 1.356 59 M HN 0.130 nan 8.290 nan 0.000 0.406 60 A N 0.086 122.640 122.820 -0.444 0.000 1.933 60 A HA -0.178 4.137 4.320 -0.009 0.000 0.218 60 A C 2.079 179.499 177.584 -0.275 0.000 1.175 60 A CA 1.680 53.500 52.037 -0.362 0.000 0.628 60 A CB -0.578 18.270 19.000 -0.254 0.000 0.814 60 A HN 0.507 nan 8.150 nan 0.000 0.444 61 M N -0.895 118.525 119.600 -0.301 0.000 2.236 61 M HA -0.065 4.410 4.480 -0.009 0.000 0.266 61 M C 2.026 178.162 176.300 -0.273 0.000 1.070 61 M CA 1.024 56.175 55.300 -0.249 0.000 1.137 61 M CB -0.331 32.108 32.600 -0.268 0.000 1.378 61 M HN 0.222 nan 8.290 nan 0.000 0.426 62 V N 0.673 120.338 119.914 -0.416 0.000 2.343 62 V HA -0.258 3.857 4.120 -0.009 0.000 0.247 62 V C 2.430 178.437 176.094 -0.145 0.000 1.051 62 V CA 2.035 64.137 62.300 -0.330 0.000 1.036 62 V CB -0.984 30.526 31.823 -0.522 0.000 0.654 62 V HN 0.496 nan 8.190 nan 0.000 0.451 63 R N 0.574 120.985 120.500 -0.148 0.000 2.070 63 R HA -0.252 4.083 4.340 -0.009 0.000 0.233 63 R C 2.292 178.573 176.300 -0.032 0.000 1.137 63 R CA 2.279 58.359 56.100 -0.032 0.000 0.945 63 R CB -0.326 29.928 30.300 -0.077 0.000 0.845 63 R HN 0.501 nan 8.270 nan 0.000 0.430 64 E N 0.159 120.313 120.200 -0.077 0.000 2.153 64 E HA -0.113 4.232 4.350 -0.009 0.000 0.194 64 E C 1.686 178.269 176.600 -0.029 0.000 0.988 64 E CA 1.443 57.815 56.400 -0.047 0.000 0.811 64 E CB -0.101 29.563 29.700 -0.060 0.000 0.746 64 E HN 0.510 nan 8.360 nan 0.000 0.466 65 A N 0.370 123.162 122.820 -0.045 0.000 1.898 65 A HA -0.123 4.192 4.320 -0.009 0.000 0.216 65 A C 2.237 179.823 177.584 0.003 0.000 1.181 65 A CA 1.325 53.348 52.037 -0.023 0.000 0.620 65 A CB -0.590 18.387 19.000 -0.039 0.000 0.819 65 A HN 0.328 nan 8.150 nan 0.000 0.442 66 I N -0.256 120.320 120.570 0.010 0.000 2.361 66 I HA -0.246 3.919 4.170 -0.009 0.000 0.251 66 I C 1.901 178.033 176.117 0.025 0.000 1.133 66 I CA 1.404 62.722 61.300 0.029 0.000 1.413 66 I CB -0.243 37.785 38.000 0.047 0.000 1.073 66 I HN 0.332 nan 8.210 nan 0.000 0.424 67 K N 0.905 121.317 120.400 0.020 0.000 2.486 67 K HA 0.128 4.443 4.320 -0.009 0.000 0.194 67 K C 1.165 177.775 176.600 0.017 0.000 1.033 67 K CA 0.754 57.053 56.287 0.019 0.000 1.004 67 K CB 0.084 32.594 32.500 0.017 0.000 0.798 67 K HN 0.451 nan 8.250 nan 0.000 0.495 68 G N 1.188 109.997 108.800 0.016 0.000 2.141 68 G HA2 -0.177 3.778 3.960 -0.009 0.000 0.195 68 G HA3 -0.177 3.778 3.960 -0.009 0.000 0.195 68 G C 0.139 175.051 174.900 0.019 0.000 1.012 68 G CA -0.325 44.786 45.100 0.018 0.000 0.696 68 G HN 0.514 nan 8.290 nan 0.000 0.508 69 G N -0.844 107.965 108.800 0.015 0.000 2.537 69 G HA2 0.683 4.638 3.960 -0.009 0.000 0.323 69 G HA3 0.683 4.638 3.960 -0.009 0.000 0.323 69 G C -0.616 174.297 174.900 0.022 0.000 1.207 69 G CA -0.512 44.599 45.100 0.019 0.000 0.976 69 G HN 0.387 nan 8.290 nan 0.000 0.487 70 K N -0.041 120.383 120.400 0.040 0.000 2.323 70 K HA 0.503 4.818 4.320 -0.009 0.000 0.259 70 K C -0.223 176.417 176.600 0.067 0.000 0.947 70 K CA -0.491 55.829 56.287 0.054 0.000 0.819 70 K CB 1.416 33.970 32.500 0.091 0.000 1.109 70 K HN 0.597 nan 8.250 nan 0.000 0.429 71 S N 3.948 119.681 115.700 0.055 0.000 2.525 71 S HA 0.445 4.910 4.470 -0.009 0.000 0.290 71 S C -0.771 173.913 174.600 0.140 0.000 1.152 71 S CA -0.940 57.305 58.200 0.075 0.000 1.072 71 S CB 1.242 64.461 63.200 0.032 0.000 1.027 71 S HN 0.506 nan 8.310 nan 0.000 0.500 72 L N 4.166 125.491 121.223 0.170 0.000 2.313 72 L HA 0.453 4.788 4.340 -0.009 0.000 0.273 72 L C -1.251 175.751 176.870 0.221 0.000 1.028 72 L CA -0.823 54.153 54.840 0.228 0.000 0.871 72 L CB 0.319 42.526 42.059 0.247 0.000 1.242 72 L HN 0.848 nan 8.230 nan 0.000 0.434 73 Y N 4.566 124.949 120.300 0.138 0.000 2.539 73 Y HA 0.441 4.986 4.550 -0.009 0.000 0.352 73 Y C -0.304 175.658 175.900 0.103 0.000 1.004 73 Y CA -0.097 58.088 58.100 0.142 0.000 1.278 73 Y CB 0.657 39.272 38.460 0.258 0.000 1.136 73 Y HN 0.392 nan 8.280 nan 0.000 0.528 74 V N 7.599 127.477 119.914 -0.059 0.000 2.465 74 V HA 0.337 4.452 4.120 -0.009 0.000 0.279 74 V C -0.201 175.832 176.094 -0.101 0.000 1.045 74 V CA -0.526 61.752 62.300 -0.037 0.000 0.938 74 V CB 1.209 33.007 31.823 -0.043 0.000 0.986 74 V HN 0.555 nan 8.190 nan 0.000 0.467 75 V N 6.725 126.643 119.914 0.007 0.000 3.046 75 V HA 0.510 4.625 4.120 -0.009 0.000 0.316 75 V C -1.642 174.450 176.094 -0.005 0.000 1.104 75 V CA -1.388 60.923 62.300 0.018 0.000 1.006 75 V CB 3.078 34.964 31.823 0.104 0.000 1.058 75 V HN 0.763 nan 8.190 nan 0.000 0.440 76 P HA 0.165 nan 4.420 nan 0.000 0.239 76 P C -0.237 177.053 177.300 -0.017 0.000 1.188 76 P CA 0.520 63.604 63.100 -0.026 0.000 0.794 76 P CB 0.779 32.449 31.700 -0.050 0.000 0.937 77 L N -0.806 120.416 121.223 -0.001 0.000 2.401 77 L HA 0.432 4.767 4.340 -0.009 0.000 0.266 77 L C 1.832 178.705 176.870 0.006 0.000 0.991 77 L CA -1.027 53.813 54.840 0.000 0.000 0.818 77 L CB 2.537 44.603 42.059 0.012 0.000 1.321 77 L HN -0.333 nan 8.230 nan 0.000 0.413 78 R N 1.376 121.874 120.500 -0.004 0.000 2.097 78 R HA -0.223 4.111 4.340 -0.009 0.000 0.236 78 R C 2.072 178.385 176.300 0.021 0.000 1.135 78 R CA 2.076 58.176 56.100 0.001 0.000 0.934 78 R CB -0.442 29.856 30.300 -0.004 0.000 0.846 78 R HN 0.874 nan 8.270 nan 0.000 0.431 79 A N 1.165 124.001 122.820 0.028 0.000 1.884 79 A HA -0.232 4.082 4.320 -0.009 0.000 0.219 79 A C 2.153 179.761 177.584 0.041 0.000 1.197 79 A CA 1.744 53.805 52.037 0.040 0.000 0.637 79 A CB -0.755 18.273 19.000 0.047 0.000 0.827 79 A HN 0.170 nan 8.150 nan 0.000 0.450 80 L N -0.436 120.811 121.223 0.040 0.000 2.043 80 L HA -0.201 4.133 4.340 -0.009 0.000 0.212 80 L C 3.033 179.922 176.870 0.031 0.000 1.075 80 L CA 1.998 56.865 54.840 0.046 0.000 0.752 80 L CB -0.847 41.251 42.059 0.065 0.000 0.891 80 L HN 0.420 nan 8.230 nan 0.000 0.432 81 A N -0.500 122.338 122.820 0.031 0.000 1.978 81 A HA -0.135 4.180 4.320 -0.009 0.000 0.220 81 A C 2.402 179.988 177.584 0.002 0.000 1.170 81 A CA 1.888 53.932 52.037 0.011 0.000 0.636 81 A CB -1.280 17.717 19.000 -0.006 0.000 0.810 81 A HN 0.460 nan 8.150 nan 0.000 0.448 82 G N -0.736 108.086 108.800 0.038 0.000 2.425 82 G HA2 -0.173 3.782 3.960 -0.009 0.000 0.213 82 G HA3 -0.173 3.782 3.960 -0.009 0.000 0.213 82 G C 1.422 176.376 174.900 0.090 0.000 1.201 82 G CA 0.900 46.062 45.100 0.104 0.000 0.799 82 G HN 0.626 nan 8.290 nan 0.000 0.534 83 E N 0.343 120.566 120.200 0.038 0.000 2.086 83 E HA -0.253 4.092 4.350 -0.009 0.000 0.205 83 E C 2.126 178.678 176.600 -0.080 0.000 1.027 83 E CA 1.396 57.799 56.400 0.005 0.000 0.830 83 E CB -0.031 29.679 29.700 0.016 0.000 0.751 83 E HN 0.133 nan 8.360 nan 0.000 0.456 84 K N -0.331 119.966 120.400 -0.170 0.000 2.442 84 K HA -0.134 4.181 4.320 -0.009 0.000 0.198 84 K C 1.759 177.874 176.600 -0.809 0.000 1.042 84 K CA 0.724 56.699 56.287 -0.519 0.000 0.958 84 K CB -0.325 31.831 32.500 -0.572 0.000 0.766 84 K HN 0.386 nan 8.250 nan 0.000 0.474 85 Y N 1.758 121.783 120.300 -0.459 0.000 2.177 85 Y HA -0.083 4.462 4.550 -0.009 0.000 0.291 85 Y C 2.282 178.098 175.900 -0.141 0.000 1.117 85 Y CA 1.373 59.282 58.100 -0.319 0.000 1.114 85 Y CB -0.125 38.243 38.460 -0.152 0.000 1.017 85 Y HN -0.024 nan 8.280 nan 0.000 0.505 86 E N -0.161 119.955 120.200 -0.141 0.000 2.265 86 E HA -0.165 4.180 4.350 -0.009 0.000 0.196 86 E C 2.322 178.849 176.600 -0.121 0.000 0.996 86 E CA 1.297 57.601 56.400 -0.161 0.000 0.832 86 E CB -0.405 29.293 29.700 -0.003 0.000 0.756 86 E HN 0.380 nan 8.360 nan 0.000 0.491 87 S N -1.180 114.465 115.700 -0.091 0.000 2.395 87 S HA -0.000 4.465 4.470 -0.009 0.000 0.225 87 S C 1.550 176.308 174.600 0.262 0.000 1.027 87 S CA 0.540 58.769 58.200 0.048 0.000 0.965 87 S CB -0.379 62.852 63.200 0.052 0.000 0.812 87 S HN 0.462 nan 8.310 nan 0.000 0.482 88 F N 0.967 120.892 119.950 -0.042 0.000 2.802 88 F HA 0.177 4.699 4.527 -0.009 0.000 0.300 88 F C 2.068 177.867 175.800 -0.001 0.000 1.168 88 F CA -0.175 57.866 58.000 0.068 0.000 1.433 88 F CB 0.103 39.094 39.000 -0.015 0.000 1.115 88 F HN 0.083 nan 8.300 nan 0.000 0.582 89 K N 1.655 122.066 120.400 0.019 0.000 2.519 89 K HA -0.140 4.175 4.320 -0.009 0.000 0.196 89 K C 1.801 178.376 176.600 -0.041 0.000 1.041 89 K CA 0.753 56.986 56.287 -0.089 0.000 0.954 89 K CB -0.180 32.213 32.500 -0.179 0.000 0.774 89 K HN 0.487 nan 8.250 nan 0.000 0.480 90 K N -1.299 119.078 120.400 -0.038 0.000 2.098 90 K HA -0.093 4.222 4.320 -0.009 0.000 0.203 90 K C 1.434 177.864 176.600 -0.282 0.000 1.051 90 K CA 0.732 56.900 56.287 -0.198 0.000 0.957 90 K CB -0.493 31.817 32.500 -0.317 0.000 0.738 90 K HN -0.006 nan 8.250 nan 0.000 0.447 91 W N 2.872 124.146 121.300 -0.043 0.000 2.848 91 W HA 0.058 4.713 4.660 -0.008 0.000 0.241 91 W C 1.347 177.849 176.519 -0.028 0.000 1.289 91 W CA 0.316 57.631 57.345 -0.050 0.000 1.396 91 W CB -0.021 29.379 29.460 -0.099 0.000 1.138 91 W HN 0.274 nan 8.180 nan 0.000 0.677 92 E N 0.548 120.798 120.200 0.083 0.000 2.152 92 E HA -0.169 4.176 4.350 -0.009 0.000 0.192 92 E C 1.857 178.479 176.600 0.038 0.000 0.983 92 E CA 0.914 57.349 56.400 0.058 0.000 0.818 92 E CB -0.028 29.683 29.700 0.019 0.000 0.758 92 E HN 0.352 nan 8.360 nan 0.000 0.467 93 K N 0.760 121.160 120.400 -0.001 0.000 1.988 93 K HA -0.206 4.109 4.320 -0.009 0.000 0.221 93 K C 1.835 178.462 176.600 0.043 0.000 1.053 93 K CA 1.670 57.957 56.287 0.001 0.000 0.959 93 K CB -0.462 32.014 32.500 -0.041 0.000 0.728 93 K HN 0.046 nan 8.250 nan 0.000 0.447 94 I N 0.592 121.208 120.570 0.077 0.000 3.055 94 I HA -0.126 4.039 4.170 -0.009 0.000 0.277 94 I C 1.178 177.350 176.117 0.092 0.000 1.306 94 I CA 1.359 62.727 61.300 0.113 0.000 1.426 94 I CB -1.081 37.033 38.000 0.189 0.000 1.081 94 I HN 0.581 nan 8.210 nan 0.000 0.502 95 G N 0.059 108.903 108.800 0.074 0.000 2.130 95 G HA2 -0.218 3.737 3.960 -0.009 0.000 0.216 95 G HA3 -0.218 3.737 3.960 -0.009 0.000 0.216 95 G C 0.122 175.061 174.900 0.066 0.000 0.999 95 G CA -0.483 44.652 45.100 0.059 0.000 0.686 95 G HN 0.300 nan 8.290 nan 0.000 0.515 96 L N 0.464 121.740 121.223 0.088 0.000 2.292 96 L HA 0.521 4.856 4.340 -0.009 0.000 0.284 96 L C 0.944 177.856 176.870 0.071 0.000 1.065 96 L CA -0.759 54.133 54.840 0.087 0.000 0.806 96 L CB 1.037 43.177 42.059 0.135 0.000 1.175 96 L HN 0.115 nan 8.230 nan 0.000 0.431 97 R N 4.192 124.723 120.500 0.051 0.000 2.204 97 R HA 0.430 4.764 4.340 -0.009 0.000 0.341 97 R C -0.524 175.807 176.300 0.051 0.000 1.035 97 R CA -0.742 55.384 56.100 0.043 0.000 0.887 97 R CB 0.874 31.190 30.300 0.026 0.000 1.114 97 R HN 0.389 nan 8.270 nan 0.000 0.473 98 I N 1.226 121.840 120.570 0.075 0.000 2.886 98 I HA 0.468 4.633 4.170 -0.009 0.000 0.299 98 I C 1.137 177.362 176.117 0.179 0.000 1.044 98 I CA -0.345 61.030 61.300 0.125 0.000 1.310 98 I CB 1.088 39.138 38.000 0.083 0.000 1.441 98 I HN 0.687 nan 8.210 nan 0.000 0.578 99 G N 3.109 112.056 108.800 0.245 0.000 2.727 99 G HA2 0.759 4.714 3.960 -0.009 0.000 0.289 99 G HA3 0.759 4.714 3.960 -0.009 0.000 0.289 99 G C -1.728 173.166 174.900 -0.010 0.000 1.418 99 G CA -0.478 44.691 45.100 0.114 0.000 0.818 99 G HN 0.569 nan 8.290 nan 0.000 0.486 100 I N -0.123 120.242 120.570 -0.341 0.000 2.715 100 I HA 0.562 4.727 4.170 -0.009 0.000 0.288 100 I C -1.432 174.426 176.117 -0.431 0.000 1.371 100 I CA -0.516 60.481 61.300 -0.504 0.000 1.056 100 I CB 2.055 39.385 38.000 -1.118 0.000 1.339 100 I HN 0.616 nan 8.210 nan 0.000 0.425 101 S N 5.232 120.787 115.700 -0.241 0.000 2.721 101 S HA 0.627 5.092 4.470 -0.009 0.000 0.264 101 S C -0.675 173.868 174.600 -0.096 0.000 1.161 101 S CA -0.214 57.897 58.200 -0.149 0.000 1.113 101 S CB 1.132 64.338 63.200 0.010 0.000 1.079 101 S HN 0.677 nan 8.310 nan 0.000 0.479 102 T N 2.687 117.167 114.554 -0.124 0.000 2.889 102 T HA 0.550 4.895 4.350 -0.009 0.000 0.278 102 T C 1.345 176.000 174.700 -0.076 0.000 0.995 102 T CA -0.291 61.759 62.100 -0.084 0.000 0.966 102 T CB 1.142 69.974 68.868 -0.060 0.000 1.237 102 T HN 0.621 nan 8.240 nan 0.000 0.591 103 G N -0.759 107.981 108.800 -0.100 0.000 3.042 103 G HA2 0.077 4.032 3.960 -0.009 0.000 0.212 103 G HA3 0.077 4.032 3.960 -0.009 0.000 0.212 103 G C 0.738 175.595 174.900 -0.072 0.000 1.166 103 G CA 0.185 45.216 45.100 -0.114 0.000 0.767 103 G HN 0.722 nan 8.290 nan 0.000 0.546 104 D N -1.434 118.945 120.400 -0.036 0.000 2.716 104 D HA 0.127 4.762 4.640 -0.009 0.000 0.273 104 D C 0.127 176.487 176.300 0.100 0.000 1.024 104 D CA -0.167 53.838 54.000 0.009 0.000 0.944 104 D CB 0.269 41.068 40.800 -0.002 0.000 1.186 104 D HN 0.216 nan 8.370 nan 0.000 0.485 105 Y N 0.196 120.453 120.300 -0.070 0.000 2.492 105 Y HA 0.466 5.011 4.550 -0.008 0.000 0.346 105 Y C -1.596 174.251 175.900 -0.089 0.000 0.997 105 Y CA -0.993 57.063 58.100 -0.073 0.000 1.025 105 Y CB 1.685 40.095 38.460 -0.084 0.000 1.263 105 Y HN -0.171 nan 8.280 nan 0.000 0.454 106 E N 3.221 123.241 120.200 -0.300 0.000 2.308 106 E HA 0.285 4.630 4.350 -0.009 0.000 0.275 106 E C -1.472 174.807 176.600 -0.534 0.000 0.890 106 E CA -0.889 55.225 56.400 -0.476 0.000 0.754 106 E CB 1.772 31.382 29.700 -0.149 0.000 1.207 106 E HN 0.673 nan 8.360 nan 0.000 0.426 107 S N 3.953 119.309 115.700 -0.573 0.000 2.510 107 S HA 0.258 4.723 4.470 -0.009 0.000 0.279 107 S C 0.589 175.136 174.600 -0.087 0.000 1.284 107 S CA -0.564 57.453 58.200 -0.305 0.000 1.059 107 S CB 1.131 64.168 63.200 -0.271 0.000 0.901 107 S HN 0.527 nan 8.310 nan 0.000 0.491 108 R N 1.690 122.200 120.500 0.017 0.000 2.334 108 R HA 0.114 4.449 4.340 -0.009 0.000 0.212 108 R C 1.479 177.809 176.300 0.050 0.000 0.897 108 R CA 0.140 56.268 56.100 0.045 0.000 1.056 108 R CB -0.742 29.600 30.300 0.070 0.000 1.046 108 R HN 0.855 nan 8.270 nan 0.000 0.513 109 D N 1.385 121.823 120.400 0.063 0.000 2.157 109 D HA -0.200 4.435 4.640 -0.009 0.000 0.191 109 D C -0.034 176.293 176.300 0.046 0.000 1.004 109 D CA 1.504 55.546 54.000 0.070 0.000 0.854 109 D CB 0.545 41.411 40.800 0.110 0.000 0.936 109 D HN 0.101 nan 8.370 nan 0.000 0.446 110 E N -2.159 118.066 120.200 0.041 0.000 2.410 110 E HA 0.161 4.506 4.350 -0.009 0.000 0.269 110 E C -0.314 176.330 176.600 0.073 0.000 0.937 110 E CA -0.526 55.898 56.400 0.040 0.000 0.793 110 E CB 1.080 30.800 29.700 0.033 0.000 1.314 110 E HN 0.052 nan 8.360 nan 0.000 0.447 111 H N 2.253 121.302 119.070 -0.035 0.000 2.571 111 H HA -0.051 4.500 4.556 -0.009 0.000 0.283 111 H C 1.141 176.406 175.328 -0.105 0.000 1.075 111 H CA 0.589 56.611 56.048 -0.043 0.000 1.191 111 H CB 0.082 29.834 29.762 -0.018 0.000 1.309 111 H HN 0.483 nan 8.280 nan 0.000 0.628 112 L N -0.733 120.445 121.223 -0.074 0.000 3.426 112 L HA -0.350 3.985 4.340 -0.009 0.000 0.065 112 L C 2.052 178.617 176.870 -0.508 0.000 4.441 112 L CA 2.306 56.957 54.840 -0.315 0.000 0.474 112 L CB -1.565 40.282 42.059 -0.352 0.000 3.550 112 L HN 0.423 nan 8.230 nan 0.000 0.698 113 G N -1.249 107.268 108.800 -0.472 0.000 2.687 113 G HA2 -0.114 3.841 3.960 -0.009 0.000 0.209 113 G HA3 -0.114 3.841 3.960 -0.009 0.000 0.209 113 G C 0.665 175.487 174.900 -0.129 0.000 1.146 113 G CA 0.912 45.814 45.100 -0.329 0.000 0.787 113 G HN 0.670 nan 8.290 nan 0.000 0.532 114 D N -0.808 119.519 120.400 -0.121 0.000 2.563 114 D HA 0.149 4.784 4.640 -0.009 0.000 0.237 114 D C 0.256 176.529 176.300 -0.045 0.000 1.282 114 D CA -0.246 53.734 54.000 -0.032 0.000 0.816 114 D CB 0.386 41.205 40.800 0.032 0.000 1.066 114 D HN 0.106 nan 8.370 nan 0.000 0.501 115 C N 0.960 120.191 119.300 -0.114 0.000 2.398 115 C HA 0.242 4.697 4.460 -0.009 0.000 0.364 115 C C 1.696 176.655 174.990 -0.053 0.000 1.219 115 C CA -0.639 58.330 59.018 -0.082 0.000 2.312 115 C CB 1.644 29.307 27.740 -0.128 0.000 2.428 115 C HN 0.276 nan 8.230 nan 0.000 0.564 116 D N 0.509 120.901 120.400 -0.013 0.000 2.327 116 D HA 0.152 4.787 4.640 -0.009 0.000 0.205 116 D C 0.062 176.364 176.300 0.002 0.000 0.989 116 D CA 1.185 55.183 54.000 -0.002 0.000 0.873 116 D CB 0.455 41.255 40.800 0.001 0.000 0.955 116 D HN 0.493 nan 8.370 nan 0.000 0.515 117 I N 1.604 122.187 120.570 0.021 0.000 2.531 117 I HA 0.213 4.378 4.170 -0.009 0.000 0.283 117 I C -1.199 174.977 176.117 0.098 0.000 1.083 117 I CA -0.672 60.675 61.300 0.077 0.000 1.071 117 I CB 1.905 39.963 38.000 0.097 0.000 1.210 117 I HN -0.344 nan 8.210 nan 0.000 0.450 118 I N 7.045 127.658 120.570 0.072 0.000 2.312 118 I HA 0.288 4.453 4.170 -0.009 0.000 0.290 118 I C 0.080 176.281 176.117 0.139 0.000 1.008 118 I CA -0.478 60.823 61.300 0.002 0.000 1.226 118 I CB 1.555 39.412 38.000 -0.238 0.000 1.371 118 I HN 0.132 nan 8.210 nan 0.000 0.468 119 V N 5.905 125.888 119.914 0.116 0.000 2.439 119 V HA 0.758 4.873 4.120 -0.009 0.000 0.282 119 V C 0.395 176.525 176.094 0.061 0.000 1.039 119 V CA -0.145 62.238 62.300 0.138 0.000 0.913 119 V CB 1.442 33.304 31.823 0.065 0.000 0.983 119 V HN 0.927 nan 8.190 nan 0.000 0.460 120 T N 1.120 115.734 114.554 0.100 0.000 2.671 120 T HA 0.573 4.918 4.350 -0.009 0.000 0.300 120 T C -0.332 174.392 174.700 0.039 0.000 1.238 120 T CA -0.054 62.074 62.100 0.046 0.000 1.020 120 T CB 1.940 70.858 68.868 0.083 0.000 1.503 120 T HN 0.760 nan 8.240 nan 0.000 0.497 121 T N -0.296 114.258 114.554 -0.001 0.000 2.943 121 T HA 0.544 4.889 4.350 -0.009 0.000 0.284 121 T C 1.389 176.078 174.700 -0.018 0.000 1.015 121 T CA -0.106 61.985 62.100 -0.015 0.000 1.042 121 T CB 1.211 70.052 68.868 -0.046 0.000 1.055 121 T HN 0.635 nan 8.240 nan 0.000 0.500 122 S N 1.676 117.368 115.700 -0.013 0.000 2.392 122 S HA -0.199 4.266 4.470 -0.009 0.000 0.225 122 S C 2.135 176.742 174.600 0.011 0.000 1.041 122 S CA 1.652 59.855 58.200 0.005 0.000 1.100 122 S CB -0.510 62.697 63.200 0.011 0.000 1.029 122 S HN 0.931 nan 8.310 nan 0.000 0.424 123 E N 1.767 121.965 120.200 -0.003 0.000 2.160 123 E HA -0.197 4.147 4.350 -0.009 0.000 0.195 123 E C 1.834 178.257 176.600 -0.294 0.000 0.991 123 E CA 1.234 57.606 56.400 -0.046 0.000 0.810 123 E CB -0.390 29.291 29.700 -0.032 0.000 0.742 123 E HN 0.362 nan 8.360 nan 0.000 0.466 124 K N 1.788 122.059 120.400 -0.215 0.000 2.025 124 K HA 0.012 4.327 4.320 -0.009 0.000 0.207 124 K C 2.144 178.673 176.600 -0.118 0.000 1.049 124 K CA 1.723 57.886 56.287 -0.207 0.000 0.933 124 K CB -0.742 31.685 32.500 -0.122 0.000 0.714 124 K HN 0.109 nan 8.250 nan 0.000 0.438 125 A N 1.013 123.805 122.820 -0.046 0.000 1.883 125 A HA -0.232 4.083 4.320 -0.009 0.000 0.217 125 A C 2.092 179.665 177.584 -0.018 0.000 1.186 125 A CA 2.325 54.355 52.037 -0.011 0.000 0.624 125 A CB -1.144 17.869 19.000 0.021 0.000 0.822 125 A HN 0.585 nan 8.150 nan 0.000 0.444 126 D N -0.652 119.763 120.400 0.026 0.000 2.123 126 D HA -0.144 4.491 4.640 -0.009 0.000 0.196 126 D C 2.188 178.564 176.300 0.127 0.000 0.992 126 D CA 1.776 55.852 54.000 0.127 0.000 0.833 126 D CB -0.250 40.743 40.800 0.321 0.000 0.954 126 D HN 0.332 nan 8.370 nan 0.000 0.455 127 S N -1.065 114.625 115.700 -0.017 0.000 2.368 127 S HA -0.077 4.388 4.470 -0.009 0.000 0.225 127 S C 2.185 176.785 174.600 0.000 0.000 1.030 127 S CA 0.837 59.031 58.200 -0.010 0.000 0.999 127 S CB -0.441 62.588 63.200 -0.285 0.000 0.844 127 S HN 0.365 nan 8.310 nan 0.000 0.459 128 L N 0.822 122.011 121.223 -0.057 0.000 2.187 128 L HA -0.086 4.249 4.340 -0.009 0.000 0.213 128 L C 2.174 178.968 176.870 -0.127 0.000 1.100 128 L CA 1.009 55.789 54.840 -0.099 0.000 0.765 128 L CB -0.433 41.533 42.059 -0.156 0.000 0.904 128 L HN 0.407 nan 8.230 nan 0.000 0.437 129 I N -0.918 119.607 120.570 -0.075 0.000 2.206 129 I HA -0.217 3.948 4.170 -0.009 0.000 0.239 129 I C 2.643 178.767 176.117 0.011 0.000 1.078 129 I CA 0.851 62.124 61.300 -0.046 0.000 1.367 129 I CB -0.284 37.722 38.000 0.008 0.000 1.078 129 I HN 0.082 nan 8.210 nan 0.000 0.413 130 R N 1.042 121.578 120.500 0.061 0.000 2.133 130 R HA -0.157 4.178 4.340 -0.009 0.000 0.247 130 R C 0.970 177.301 176.300 0.053 0.000 1.151 130 R CA 1.346 57.493 56.100 0.079 0.000 0.971 130 R CB -0.326 30.062 30.300 0.146 0.000 0.866 130 R HN 0.361 nan 8.270 nan 0.000 0.447 131 N N 1.260 119.983 118.700 0.038 0.000 2.597 131 N HA 0.036 4.770 4.740 -0.009 0.000 0.269 131 N C -0.575 174.929 175.510 -0.011 0.000 1.204 131 N CA -0.018 53.047 53.050 0.025 0.000 0.947 131 N CB 0.649 39.158 38.487 0.037 0.000 1.258 131 N HN -0.023 nan 8.380 nan 0.000 0.508 132 R N 0.287 120.775 120.500 -0.020 0.000 3.121 132 R HA -0.224 4.111 4.340 -0.009 0.000 0.233 132 R C 0.175 176.424 176.300 -0.085 0.000 0.884 132 R CA 0.472 56.544 56.100 -0.046 0.000 0.600 132 R CB -2.075 28.209 30.300 -0.026 0.000 1.023 132 R HN 0.390 nan 8.270 nan 0.000 0.482 133 A N -0.025 122.703 122.820 -0.153 0.000 2.536 133 A HA 0.163 4.478 4.320 -0.009 0.000 0.234 133 A C 1.504 178.952 177.584 -0.227 0.000 1.076 133 A CA 0.477 52.372 52.037 -0.238 0.000 0.769 133 A CB 0.162 18.854 19.000 -0.513 0.000 1.020 133 A HN 0.610 nan 8.150 nan 0.000 0.508 134 S N 0.657 116.264 115.700 -0.156 0.000 2.371 134 S HA -0.096 4.369 4.470 -0.009 0.000 0.219 134 S C 1.734 176.312 174.600 -0.036 0.000 1.040 134 S CA 1.086 59.253 58.200 -0.055 0.000 0.958 134 S CB -0.647 62.574 63.200 0.035 0.000 0.860 134 S HN 1.061 nan 8.310 nan 0.000 0.487 135 W N 1.591 122.879 121.300 -0.020 0.000 2.425 135 W HA 0.166 4.820 4.660 -0.009 0.000 0.277 135 W C 1.605 178.125 176.519 0.001 0.000 1.231 135 W CA -0.150 57.187 57.345 -0.013 0.000 1.248 135 W CB -0.855 28.593 29.460 -0.020 0.000 1.117 135 W HN 0.192 nan 8.180 nan 0.000 0.568 136 I N 2.378 122.508 120.570 -0.732 0.000 2.623 136 I HA -0.237 3.928 4.170 -0.009 0.000 0.261 136 I C 1.336 177.336 176.117 -0.194 0.000 1.204 136 I CA 1.482 62.396 61.300 -0.643 0.000 1.444 136 I CB -0.451 37.142 38.000 -0.679 0.000 1.094 136 I HN 0.031 nan 8.210 nan 0.000 0.451 137 K N -0.024 120.314 120.400 -0.103 0.000 2.500 137 K HA 0.262 4.576 4.320 -0.009 0.000 0.206 137 K C 0.714 177.329 176.600 0.026 0.000 1.034 137 K CA 0.238 56.508 56.287 -0.030 0.000 1.179 137 K CB 0.452 32.931 32.500 -0.035 0.000 0.884 137 K HN 0.198 nan 8.250 nan 0.000 0.493 138 A N 0.653 123.519 122.820 0.076 0.000 2.592 138 A HA 0.196 4.511 4.320 -0.009 0.000 0.290 138 A C -0.194 177.462 177.584 0.121 0.000 0.998 138 A CA -0.314 51.781 52.037 0.097 0.000 0.983 138 A CB 0.645 19.719 19.000 0.122 0.000 1.240 138 A HN 0.011 nan 8.150 nan 0.000 0.535 139 V N 2.125 122.108 119.914 0.116 0.000 2.364 139 V HA 0.278 4.392 4.120 -0.009 0.000 0.272 139 V C 1.391 177.525 176.094 0.067 0.000 1.036 139 V CA 0.617 62.992 62.300 0.125 0.000 0.880 139 V CB 0.907 32.820 31.823 0.149 0.000 0.991 139 V HN 0.611 nan 8.190 nan 0.000 0.460 140 S N 2.274 118.007 115.700 0.054 0.000 2.475 140 S HA 0.049 4.513 4.470 -0.009 0.000 0.224 140 S C 0.717 175.324 174.600 0.012 0.000 1.042 140 S CA 0.044 58.260 58.200 0.026 0.000 0.935 140 S CB 0.313 63.525 63.200 0.019 0.000 0.801 140 S HN 0.664 nan 8.310 nan 0.000 0.509 141 C N 2.366 121.678 119.300 0.019 0.000 2.345 141 C HA 0.810 5.265 4.460 -0.009 0.000 0.323 141 C C -0.789 174.215 174.990 0.023 0.000 1.276 141 C CA -1.076 57.944 59.018 0.003 0.000 1.543 141 C CB 0.387 28.119 27.740 -0.013 0.000 2.211 141 C HN 0.623 nan 8.230 nan 0.000 0.493 142 L N 7.966 129.190 121.223 0.001 0.000 2.318 142 L HA 0.643 4.978 4.340 -0.009 0.000 0.277 142 L C -0.760 176.095 176.870 -0.026 0.000 1.008 142 L CA 0.038 54.880 54.840 0.003 0.000 0.846 142 L CB 1.223 43.272 42.059 -0.016 0.000 1.220 142 L HN 0.529 nan 8.230 nan 0.000 0.423 143 V N 6.080 125.981 119.914 -0.022 0.000 2.364 143 V HA 0.349 4.464 4.120 -0.009 0.000 0.272 143 V C -0.041 175.919 176.094 -0.223 0.000 1.036 143 V CA -0.534 61.708 62.300 -0.096 0.000 0.880 143 V CB 1.460 33.263 31.823 -0.034 0.000 0.991 143 V HN 0.498 nan 8.190 nan 0.000 0.460 144 V N 4.470 124.276 119.914 -0.181 0.000 2.259 144 V HA 0.223 4.338 4.120 -0.009 0.000 0.267 144 V C 0.225 176.202 176.094 -0.195 0.000 1.051 144 V CA -0.573 61.620 62.300 -0.177 0.000 0.830 144 V CB 0.911 32.685 31.823 -0.081 0.000 1.080 144 V HN 0.927 nan 8.190 nan 0.000 0.467 145 D N 3.339 123.541 120.400 -0.330 0.000 2.362 145 D HA 0.073 4.708 4.640 -0.009 0.000 0.238 145 D C 0.899 177.161 176.300 -0.063 0.000 1.212 145 D CA 0.261 54.143 54.000 -0.196 0.000 0.902 145 D CB 0.565 41.226 40.800 -0.232 0.000 1.180 145 D HN 0.620 nan 8.370 nan 0.000 0.445 146 E N 0.576 120.805 120.200 0.049 0.000 2.403 146 E HA -0.261 4.084 4.350 -0.009 0.000 0.241 146 E C 1.095 177.651 176.600 -0.073 0.000 1.201 146 E CA 0.094 56.520 56.400 0.043 0.000 0.721 146 E CB -1.549 28.093 29.700 -0.096 0.000 1.245 146 E HN 0.487 nan 8.360 nan 0.000 0.392 147 I N 1.327 121.927 120.570 0.051 0.000 2.657 147 I HA -0.254 3.911 4.170 -0.009 0.000 0.261 147 I C 2.436 178.543 176.117 -0.017 0.000 1.212 147 I CA 1.936 63.233 61.300 -0.003 0.000 1.453 147 I CB -0.200 37.808 38.000 0.014 0.000 1.092 147 I HN 0.346 nan 8.210 nan 0.000 0.452 148 H N -1.347 117.687 119.070 -0.059 0.000 2.521 148 H HA -0.051 4.500 4.556 -0.009 0.000 0.286 148 H C 1.802 177.102 175.328 -0.047 0.000 1.034 148 H CA 0.561 56.573 56.048 -0.060 0.000 1.278 148 H CB -0.755 28.985 29.762 -0.036 0.000 1.386 148 H HN 0.285 nan 8.280 nan 0.000 0.567 149 L N 1.072 122.042 121.223 -0.421 0.000 2.700 149 L HA -0.045 4.290 4.340 -0.009 0.000 0.240 149 L C 2.002 178.792 176.870 -0.134 0.000 1.162 149 L CA 0.296 54.960 54.840 -0.293 0.000 0.874 149 L CB -0.853 41.023 42.059 -0.305 0.000 1.001 149 L HN 0.195 nan 8.230 nan 0.000 0.447 150 L N -0.664 120.490 121.223 -0.115 0.000 2.265 150 L HA -0.185 4.150 4.340 -0.009 0.000 0.215 150 L C 1.879 178.742 176.870 -0.012 0.000 1.117 150 L CA 1.526 56.308 54.840 -0.096 0.000 0.782 150 L CB -0.567 41.355 42.059 -0.228 0.000 0.914 150 L HN 0.348 nan 8.230 nan 0.000 0.441 151 D N -1.740 118.661 120.400 0.003 0.000 2.289 151 D HA -0.063 4.572 4.640 -0.009 0.000 0.207 151 D C 1.032 177.353 176.300 0.035 0.000 0.966 151 D CA 0.313 54.340 54.000 0.045 0.000 0.868 151 D CB 0.156 40.988 40.800 0.053 0.000 0.943 151 D HN 0.234 nan 8.370 nan 0.000 0.514 152 S N 0.177 115.880 115.700 0.005 0.000 2.515 152 S HA -0.048 4.417 4.470 -0.009 0.000 0.285 152 S C 1.081 175.703 174.600 0.037 0.000 1.265 152 S CA -0.154 58.052 58.200 0.011 0.000 1.079 152 S CB 0.573 63.763 63.200 -0.018 0.000 0.877 152 S HN 0.190 nan 8.310 nan 0.000 0.493 153 E N 3.682 123.922 120.200 0.066 0.000 2.209 153 E HA -0.163 4.182 4.350 -0.009 0.000 0.196 153 E C 1.720 178.424 176.600 0.174 0.000 0.993 153 E CA 1.233 57.707 56.400 0.124 0.000 0.819 153 E CB 0.103 29.869 29.700 0.110 0.000 0.745 153 E HN 0.698 nan 8.360 nan 0.000 0.477 154 K N 0.012 120.472 120.400 0.100 0.000 2.063 154 K HA 0.071 4.385 4.320 -0.009 0.000 0.204 154 K C 1.991 178.612 176.600 0.035 0.000 1.039 154 K CA 0.426 56.775 56.287 0.103 0.000 0.957 154 K CB 0.140 32.677 32.500 0.061 0.000 0.764 154 K HN -0.068 nan 8.250 nan 0.000 0.447 155 R N 0.767 121.267 120.500 -0.001 0.000 2.246 155 R HA 0.092 4.427 4.340 -0.009 0.000 0.199 155 R C 2.178 178.449 176.300 -0.049 0.000 0.984 155 R CA 0.701 56.787 56.100 -0.023 0.000 1.015 155 R CB -0.915 29.366 30.300 -0.032 0.000 0.930 155 R HN 0.310 nan 8.270 nan 0.000 0.475 156 G N 1.915 110.681 108.800 -0.057 0.000 2.586 156 G HA2 -0.337 3.618 3.960 -0.009 0.000 0.218 156 G HA3 -0.337 3.618 3.960 -0.009 0.000 0.218 156 G C 1.615 176.468 174.900 -0.078 0.000 1.216 156 G CA 1.641 46.708 45.100 -0.055 0.000 0.786 156 G HN 0.406 nan 8.290 nan 0.000 0.583 157 A N -0.254 122.465 122.820 -0.168 0.000 1.948 157 A HA -0.073 4.242 4.320 -0.009 0.000 0.220 157 A C 2.523 180.003 177.584 -0.173 0.000 1.177 157 A CA 2.643 54.572 52.037 -0.180 0.000 0.636 157 A CB -1.032 17.777 19.000 -0.318 0.000 0.815 157 A HN 0.353 nan 8.150 nan 0.000 0.449 158 T N 0.270 114.799 114.554 -0.042 0.000 2.788 158 T HA -0.072 4.273 4.350 -0.009 0.000 0.268 158 T C 1.776 176.494 174.700 0.031 0.000 1.044 158 T CA 1.393 63.536 62.100 0.072 0.000 1.139 158 T CB -0.339 68.657 68.868 0.214 0.000 0.867 158 T HN 0.394 nan 8.240 nan 0.000 0.454 159 L N 0.705 121.937 121.223 0.014 0.000 2.027 159 L HA -0.098 4.236 4.340 -0.009 0.000 0.206 159 L C 2.786 179.713 176.870 0.094 0.000 1.074 159 L CA 1.422 56.284 54.840 0.037 0.000 0.745 159 L CB -0.564 41.499 42.059 0.007 0.000 0.898 159 L HN 0.341 nan 8.230 nan 0.000 0.433 160 E N 0.187 120.426 120.200 0.065 0.000 2.058 160 E HA -0.241 4.104 4.350 -0.009 0.000 0.194 160 E C 2.193 178.872 176.600 0.132 0.000 0.997 160 E CA 1.240 57.729 56.400 0.149 0.000 0.801 160 E CB -0.080 29.641 29.700 0.035 0.000 0.746 160 E HN 0.416 nan 8.360 nan 0.000 0.450 161 I N 1.364 121.915 120.570 -0.031 0.000 2.286 161 I HA -0.199 3.966 4.170 -0.009 0.000 0.245 161 I C 2.570 178.700 176.117 0.022 0.000 1.104 161 I CA 0.803 62.073 61.300 -0.051 0.000 1.397 161 I CB -1.116 36.710 38.000 -0.290 0.000 1.072 161 I HN 0.194 nan 8.210 nan 0.000 0.417 162 L N 0.780 122.026 121.223 0.038 0.000 1.956 162 L HA -0.260 4.075 4.340 -0.009 0.000 0.216 162 L C 2.746 179.626 176.870 0.017 0.000 1.073 162 L CA 1.916 56.783 54.840 0.044 0.000 0.762 162 L CB -0.281 41.810 42.059 0.053 0.000 0.889 162 L HN 0.003 nan 8.230 nan 0.000 0.433 163 V N 0.074 120.005 119.914 0.029 0.000 2.250 163 V HA -0.380 3.734 4.120 -0.009 0.000 0.250 163 V C 2.598 178.635 176.094 -0.094 0.000 1.060 163 V CA 2.577 64.855 62.300 -0.038 0.000 1.030 163 V CB -1.047 30.751 31.823 -0.042 0.000 0.643 163 V HN 0.593 nan 8.190 nan 0.000 0.445 164 T N -0.761 113.752 114.554 -0.068 0.000 2.720 164 T HA -0.268 4.077 4.350 -0.009 0.000 0.268 164 T C 1.935 176.508 174.700 -0.211 0.000 1.037 164 T CA 1.839 63.808 62.100 -0.218 0.000 1.144 164 T CB -0.242 68.381 68.868 -0.409 0.000 0.864 164 T HN 0.462 nan 8.240 nan 0.000 0.444 165 K N 0.287 120.632 120.400 -0.091 0.000 2.025 165 K HA 0.072 4.387 4.320 -0.009 0.000 0.207 165 K C 2.512 179.145 176.600 0.054 0.000 1.049 165 K CA 0.971 57.191 56.287 -0.112 0.000 0.933 165 K CB -0.141 32.204 32.500 -0.258 0.000 0.714 165 K HN 0.192 nan 8.250 nan 0.000 0.438 166 M N 0.707 120.312 119.600 0.009 0.000 2.065 166 M HA -0.198 4.277 4.480 -0.009 0.000 0.259 166 M C 2.061 178.364 176.300 0.006 0.000 1.069 166 M CA 1.773 57.083 55.300 0.016 0.000 1.110 166 M CB -0.895 31.694 32.600 -0.018 0.000 1.328 166 M HN 0.133 nan 8.290 nan 0.000 0.405 167 R N -0.458 120.013 120.500 -0.048 0.000 2.073 167 R HA -0.092 4.243 4.340 -0.009 0.000 0.234 167 R C 2.258 178.546 176.300 -0.019 0.000 1.134 167 R CA 1.113 57.172 56.100 -0.069 0.000 0.952 167 R CB -0.424 29.787 30.300 -0.148 0.000 0.850 167 R HN 0.421 nan 8.270 nan 0.000 0.433 168 R N 0.149 120.659 120.500 0.016 0.000 2.211 168 R HA -0.119 4.216 4.340 -0.009 0.000 0.240 168 R C 2.082 178.451 176.300 0.115 0.000 1.144 168 R CA 1.261 57.416 56.100 0.091 0.000 0.992 168 R CB -0.150 30.287 30.300 0.228 0.000 0.869 168 R HN 0.310 nan 8.270 nan 0.000 0.462 169 M N -0.224 119.451 119.600 0.125 0.000 2.102 169 M HA -0.081 4.394 4.480 -0.009 0.000 0.240 169 M C 0.987 177.302 176.300 0.025 0.000 1.170 169 M CA 0.843 56.187 55.300 0.073 0.000 1.121 169 M CB -0.345 32.306 32.600 0.085 0.000 1.180 169 M HN 0.002 nan 8.290 nan 0.000 0.436 170 N N 2.088 120.798 118.700 0.017 0.000 2.466 170 N HA -0.049 4.686 4.740 -0.009 0.000 0.263 170 N C 0.732 176.237 175.510 -0.008 0.000 1.178 170 N CA -0.141 52.911 53.050 0.003 0.000 0.983 170 N CB 0.429 38.919 38.487 0.004 0.000 1.331 170 N HN 0.170 nan 8.380 nan 0.000 0.500 171 K N 2.825 123.219 120.400 -0.009 0.000 2.442 171 K HA -0.112 4.202 4.320 -0.009 0.000 0.198 171 K C 0.703 177.290 176.600 -0.022 0.000 1.044 171 K CA 0.766 57.042 56.287 -0.018 0.000 0.948 171 K CB 0.047 32.539 32.500 -0.013 0.000 0.762 171 K HN 0.622 nan 8.250 nan 0.000 0.472 172 A N 0.967 123.778 122.820 -0.016 0.000 2.387 172 A HA 0.154 4.469 4.320 -0.009 0.000 0.234 172 A C 0.405 177.978 177.584 -0.019 0.000 1.253 172 A CA -0.501 51.526 52.037 -0.016 0.000 0.894 172 A CB -0.053 18.942 19.000 -0.009 0.000 0.963 172 A HN 0.258 nan 8.150 nan 0.000 0.508 173 L N 0.509 121.719 121.223 -0.023 0.000 2.453 173 L HA 0.260 4.594 4.340 -0.009 0.000 0.272 173 L C 0.524 177.370 176.870 -0.039 0.000 1.182 173 L CA 0.182 55.007 54.840 -0.025 0.000 0.858 173 L CB 0.311 42.354 42.059 -0.027 0.000 1.120 173 L HN 0.328 nan 8.230 nan 0.000 0.474 174 R N 4.450 124.930 120.500 -0.035 0.000 2.229 174 R HA 0.538 4.872 4.340 -0.009 0.000 0.332 174 R C -1.656 174.613 176.300 -0.052 0.000 0.989 174 R CA -0.668 55.406 56.100 -0.044 0.000 0.842 174 R CB 0.853 31.130 30.300 -0.039 0.000 1.119 174 R HN 0.621 nan 8.270 nan 0.000 0.456 175 V N 7.197 127.068 119.914 -0.072 0.000 2.370 175 V HA 0.383 4.498 4.120 -0.009 0.000 0.279 175 V C 0.160 176.213 176.094 -0.069 0.000 1.029 175 V CA -0.547 61.703 62.300 -0.084 0.000 0.870 175 V CB 1.367 33.108 31.823 -0.137 0.000 0.984 175 V HN 0.691 nan 8.190 nan 0.000 0.451 176 I N 4.188 124.724 120.570 -0.057 0.000 2.410 176 I HA 0.606 4.771 4.170 -0.009 0.000 0.286 176 I C 0.623 176.715 176.117 -0.041 0.000 1.009 176 I CA -0.263 61.013 61.300 -0.039 0.000 1.111 176 I CB 1.882 39.860 38.000 -0.036 0.000 1.262 176 I HN 0.711 nan 8.210 nan 0.000 0.443 177 G N 7.433 116.221 108.800 -0.019 0.000 2.422 177 G HA2 0.666 4.621 3.960 -0.009 0.000 0.317 177 G HA3 0.666 4.621 3.960 -0.009 0.000 0.317 177 G C -0.659 174.251 174.900 0.017 0.000 1.210 177 G CA -0.531 44.560 45.100 -0.015 0.000 0.930 177 G HN 0.441 nan 8.290 nan 0.000 0.468 178 L N 2.147 123.378 121.223 0.014 0.000 2.276 178 L HA 0.651 4.986 4.340 -0.009 0.000 0.286 178 L C 0.538 177.457 176.870 0.082 0.000 1.061 178 L CA -0.591 54.283 54.840 0.057 0.000 0.807 178 L CB 1.391 43.493 42.059 0.072 0.000 1.177 178 L HN 0.530 nan 8.230 nan 0.000 0.429 179 S N 2.079 117.820 115.700 0.068 0.000 2.667 179 S HA 0.877 5.342 4.470 -0.009 0.000 0.292 179 S C -0.591 173.946 174.600 -0.105 0.000 1.126 179 S CA -0.278 57.952 58.200 0.050 0.000 0.881 179 S CB 2.006 65.227 63.200 0.034 0.000 1.132 179 S HN 0.726 nan 8.310 nan 0.000 0.492 180 A N 1.364 123.961 122.820 -0.372 0.000 2.256 180 A HA 0.719 5.034 4.320 -0.009 0.000 0.318 180 A C 0.475 177.933 177.584 -0.211 0.000 1.103 180 A CA -0.263 51.538 52.037 -0.393 0.000 0.860 180 A CB -0.110 18.448 19.000 -0.736 0.000 1.182 180 A HN 1.203 nan 8.150 nan 0.000 0.501 181 T N -0.980 113.485 114.554 -0.147 0.000 2.940 181 T HA 0.512 4.857 4.350 -0.009 0.000 0.309 181 T C -0.043 174.608 174.700 -0.082 0.000 1.056 181 T CA 0.328 62.372 62.100 -0.094 0.000 1.137 181 T CB 0.611 69.436 68.868 -0.071 0.000 0.976 181 T HN 2.160 nan 8.240 nan 0.000 0.547 182 A N 3.988 126.771 122.820 -0.061 0.000 2.572 182 A HA 0.593 4.908 4.320 -0.009 0.000 0.303 182 A C -2.056 175.504 177.584 -0.040 0.000 1.059 182 A CA -1.239 50.774 52.037 -0.039 0.000 0.788 182 A CB 0.659 19.645 19.000 -0.024 0.000 1.282 182 A HN 0.516 nan 8.150 nan 0.000 0.397 183 P HA -0.260 nan 4.420 nan 0.000 0.221 183 P C 0.738 178.012 177.300 -0.043 0.000 1.160 183 P CA 2.257 65.336 63.100 -0.036 0.000 0.933 183 P CB -0.244 31.439 31.700 -0.027 0.000 0.793 184 N N 0.341 119.026 118.700 -0.025 0.000 2.375 184 N HA -0.014 4.721 4.740 -0.009 0.000 0.220 184 N C 1.341 176.838 175.510 -0.022 0.000 1.170 184 N CA 0.343 53.383 53.050 -0.018 0.000 0.833 184 N CB -0.993 37.506 38.487 0.020 0.000 1.069 184 N HN 0.172 nan 8.380 nan 0.000 0.479 185 V N -0.957 118.918 119.914 -0.065 0.000 2.380 185 V HA -0.290 3.825 4.120 -0.009 0.000 0.251 185 V C 2.404 178.418 176.094 -0.133 0.000 1.063 185 V CA 2.412 64.661 62.300 -0.085 0.000 1.055 185 V CB -2.030 29.727 31.823 -0.110 0.000 0.657 185 V HN 0.469 nan 8.190 nan 0.000 0.455 186 T N -2.155 112.252 114.554 -0.245 0.000 2.929 186 T HA -0.203 4.142 4.350 -0.009 0.000 0.271 186 T C 1.744 176.393 174.700 -0.084 0.000 1.085 186 T CA 1.669 63.551 62.100 -0.363 0.000 1.125 186 T CB -0.511 68.069 68.868 -0.480 0.000 0.874 186 T HN 0.734 nan 8.240 nan 0.000 0.494 187 E N 0.374 120.582 120.200 0.014 0.000 2.072 187 E HA -0.030 4.315 4.350 -0.009 0.000 0.190 187 E C 1.827 178.607 176.600 0.300 0.000 0.982 187 E CA 0.627 57.113 56.400 0.144 0.000 0.803 187 E CB -0.157 29.633 29.700 0.151 0.000 0.755 187 E HN 0.469 nan 8.360 nan 0.000 0.453 188 I N 1.425 122.122 120.570 0.211 0.000 2.127 188 I HA -0.267 3.898 4.170 -0.009 0.000 0.241 188 I C 2.419 178.679 176.117 0.238 0.000 1.075 188 I CA 1.537 62.929 61.300 0.153 0.000 1.334 188 I CB -0.742 37.225 38.000 -0.054 0.000 1.040 188 I HN 0.121 nan 8.210 nan 0.000 0.405 189 A N -0.074 122.824 122.820 0.130 0.000 1.917 189 A HA -0.272 4.043 4.320 -0.009 0.000 0.219 189 A C 2.270 179.959 177.584 0.176 0.000 1.182 189 A CA 2.063 54.187 52.037 0.146 0.000 0.633 189 A CB -0.789 18.308 19.000 0.163 0.000 0.819 189 A HN 0.523 nan 8.150 nan 0.000 0.448 190 E N -1.736 118.579 120.200 0.191 0.000 2.038 190 E HA -0.259 4.086 4.350 -0.009 0.000 0.195 190 E C 1.773 178.509 176.600 0.227 0.000 1.000 190 E CA 1.395 57.906 56.400 0.186 0.000 0.803 190 E CB -0.328 29.470 29.700 0.163 0.000 0.750 190 E HN 0.864 nan 8.360 nan 0.000 0.448 191 W N 1.631 123.003 121.300 0.119 0.000 2.321 191 W HA -0.181 4.474 4.660 -0.009 0.000 0.306 191 W C 1.516 178.084 176.519 0.082 0.000 1.217 191 W CA 1.360 58.789 57.345 0.140 0.000 1.257 191 W CB -0.249 29.389 29.460 0.298 0.000 1.145 191 W HN -0.022 nan 8.180 nan 0.000 0.509 192 L N 1.011 122.220 121.223 -0.023 0.000 2.599 192 L HA -0.029 4.306 4.340 -0.009 0.000 0.230 192 L C 0.268 177.055 176.870 -0.139 0.000 1.141 192 L CA 0.765 55.449 54.840 -0.261 0.000 0.877 192 L CB -0.816 41.153 42.059 -0.149 0.000 1.009 192 L HN -0.084 nan 8.230 nan 0.000 0.447 193 D N 0.674 121.053 120.400 -0.034 0.000 2.697 193 D HA -0.153 4.481 4.640 -0.009 0.000 0.238 193 D C 0.068 176.369 176.300 0.001 0.000 1.152 193 D CA 0.972 54.967 54.000 -0.008 0.000 0.666 193 D CB -0.649 40.124 40.800 -0.045 0.000 1.037 193 D HN 0.390 nan 8.370 nan 0.000 0.423 194 A N 0.605 123.452 122.820 0.044 0.000 2.414 194 A HA 0.534 4.849 4.320 -0.009 0.000 0.306 194 A C -0.301 177.345 177.584 0.103 0.000 1.054 194 A CA -0.777 51.291 52.037 0.052 0.000 0.724 194 A CB 1.524 20.545 19.000 0.035 0.000 1.267 194 A HN -0.036 nan 8.150 nan 0.000 0.418 195 D N 0.623 121.048 120.400 0.042 0.000 2.400 195 D HA 0.422 5.057 4.640 -0.009 0.000 0.238 195 D C -0.145 176.206 176.300 0.086 0.000 1.157 195 D CA 1.485 55.473 54.000 -0.020 0.000 0.889 195 D CB 0.237 41.004 40.800 -0.055 0.000 1.199 195 D HN 0.496 nan 8.370 nan 0.000 0.436 196 Y N -0.603 119.739 120.300 0.070 0.000 2.693 196 Y HA 0.666 5.211 4.550 -0.009 0.000 0.331 196 Y C -1.329 174.672 175.900 0.167 0.000 1.092 196 Y CA -1.554 56.601 58.100 0.092 0.000 1.131 196 Y CB 1.016 39.512 38.460 0.060 0.000 1.318 196 Y HN 0.349 nan 8.280 nan 0.000 0.510 197 Y N 0.708 121.195 120.300 0.312 0.000 2.347 197 Y HA 0.559 5.104 4.550 -0.009 0.000 0.339 197 Y C -2.157 173.850 175.900 0.178 0.000 1.152 197 Y CA -1.329 56.886 58.100 0.190 0.000 1.321 197 Y CB 0.798 39.311 38.460 0.088 0.000 1.137 197 Y HN 0.643 nan 8.280 nan 0.000 0.486 198 V N 4.712 124.486 119.914 -0.234 0.000 2.383 198 V HA 0.696 4.811 4.120 -0.009 0.000 0.275 198 V C -0.028 175.830 176.094 -0.393 0.000 1.036 198 V CA -0.148 62.005 62.300 -0.246 0.000 0.889 198 V CB 1.164 32.925 31.823 -0.104 0.000 0.985 198 V HN 0.709 nan 8.190 nan 0.000 0.459 199 S N 2.431 117.956 115.700 -0.292 0.000 2.588 199 S HA 0.580 5.045 4.470 -0.009 0.000 0.275 199 S C -0.685 173.914 174.600 -0.001 0.000 1.130 199 S CA -0.610 57.499 58.200 -0.151 0.000 0.855 199 S CB 2.179 65.313 63.200 -0.110 0.000 1.116 199 S HN 0.712 nan 8.310 nan 0.000 0.472 200 D N 1.138 121.577 120.400 0.065 0.000 2.535 200 D HA 0.195 4.830 4.640 -0.009 0.000 0.229 200 D C -0.824 175.546 176.300 0.117 0.000 1.238 200 D CA -0.175 53.860 54.000 0.059 0.000 0.824 200 D CB 0.086 40.900 40.800 0.024 0.000 1.045 200 D HN 0.528 nan 8.370 nan 0.000 0.500 201 W N 2.440 123.747 121.300 0.012 0.000 2.251 201 W HA 0.205 4.860 4.660 -0.008 0.000 0.327 201 W C -0.089 176.452 176.519 0.037 0.000 1.361 201 W CA -0.117 57.252 57.345 0.041 0.000 1.234 201 W CB 0.437 29.946 29.460 0.081 0.000 1.212 201 W HN -0.269 nan 8.180 nan 0.000 0.557 202 R N 6.784 126.791 120.500 -0.822 0.000 2.561 202 R HA 0.207 4.542 4.340 -0.009 0.000 0.297 202 R C -1.726 173.867 176.300 -1.178 0.000 0.969 202 R CA -1.629 53.965 56.100 -0.844 0.000 0.879 202 R CB 1.744 31.807 30.300 -0.395 0.000 1.178 202 R HN 0.273 nan 8.270 nan 0.000 0.445 203 P HA -0.149 nan 4.420 nan 0.000 0.216 203 P C -0.013 177.063 177.300 -0.372 0.000 1.153 203 P CA 1.080 63.744 63.100 -0.727 0.000 0.858 203 P CB 0.339 31.764 31.700 -0.458 0.000 0.789 204 V N 1.364 121.096 119.914 -0.304 0.000 2.407 204 V HA 0.269 4.384 4.120 -0.009 0.000 0.291 204 V C -2.100 173.899 176.094 -0.158 0.000 1.018 204 V CA -2.136 60.059 62.300 -0.174 0.000 0.842 204 V CB 1.381 33.129 31.823 -0.126 0.000 0.996 204 V HN 0.001 nan 8.190 nan 0.000 0.426 205 P HA 0.074 nan 4.420 nan 0.000 0.269 205 P C -0.918 176.343 177.300 -0.064 0.000 1.211 205 P CA -0.166 62.886 63.100 -0.080 0.000 0.781 205 P CB 1.264 32.947 31.700 -0.029 0.000 0.877 206 L N 2.243 123.434 121.223 -0.053 0.000 2.406 206 L HA 0.362 4.697 4.340 -0.009 0.000 0.272 206 L C -0.961 175.903 176.870 -0.011 0.000 0.980 206 L CA -0.774 54.043 54.840 -0.038 0.000 0.831 206 L CB 2.009 44.034 42.059 -0.058 0.000 1.253 206 L HN 0.042 nan 8.230 nan 0.000 0.406 207 V N 4.785 124.708 119.914 0.016 0.000 2.383 207 V HA 0.401 4.516 4.120 -0.009 0.000 0.275 207 V C -0.085 176.057 176.094 0.080 0.000 1.036 207 V CA -0.476 61.856 62.300 0.053 0.000 0.889 207 V CB 1.372 33.230 31.823 0.059 0.000 0.985 207 V HN 0.755 nan 8.190 nan 0.000 0.459 208 E N 3.175 123.441 120.200 0.110 0.000 2.175 208 E HA 0.632 4.977 4.350 -0.009 0.000 0.278 208 E C 0.262 177.047 176.600 0.308 0.000 0.969 208 E CA -0.282 56.216 56.400 0.162 0.000 0.796 208 E CB 2.051 31.815 29.700 0.107 0.000 1.104 208 E HN 0.803 nan 8.360 nan 0.000 0.395 209 G N 0.810 109.774 108.800 0.273 0.000 2.932 209 G HA2 0.603 4.558 3.960 -0.009 0.000 0.283 209 G HA3 0.603 4.558 3.960 -0.009 0.000 0.283 209 G C -1.098 173.975 174.900 0.288 0.000 1.336 209 G CA -0.543 44.748 45.100 0.317 0.000 1.056 209 G HN 0.343 nan 8.290 nan 0.000 0.522 210 V N 0.543 120.615 119.914 0.264 0.000 2.559 210 V HA 0.262 4.377 4.120 -0.009 0.000 0.289 210 V C -0.984 175.194 176.094 0.141 0.000 1.036 210 V CA -0.472 61.947 62.300 0.197 0.000 0.887 210 V CB 1.324 33.298 31.823 0.253 0.000 1.022 210 V HN 0.694 nan 8.190 nan 0.000 0.442 211 L N 5.322 126.610 121.223 0.109 0.000 2.290 211 L HA 0.787 5.122 4.340 -0.009 0.000 0.284 211 L C -0.456 176.461 176.870 0.079 0.000 1.078 211 L CA 0.447 55.343 54.840 0.093 0.000 0.815 211 L CB 0.991 43.114 42.059 0.105 0.000 1.162 211 L HN 0.832 nan 8.230 nan 0.000 0.435 212 C N 5.257 124.600 119.300 0.072 0.000 2.716 212 C HA 0.425 4.880 4.460 -0.009 0.000 0.366 212 C C -0.437 174.586 174.990 0.054 0.000 1.073 212 C CA -0.472 58.583 59.018 0.062 0.000 1.260 212 C CB 0.118 27.898 27.740 0.067 0.000 1.755 212 C HN 0.985 nan 8.230 nan 0.000 0.475 213 E N 3.548 123.777 120.200 0.048 0.000 2.252 213 E HA -0.162 4.183 4.350 -0.009 0.000 0.199 213 E C 1.010 177.635 176.600 0.043 0.000 1.352 213 E CA 1.033 57.459 56.400 0.042 0.000 0.682 213 E CB -1.098 28.625 29.700 0.038 0.000 1.142 213 E HN 1.886 nan 8.360 nan 0.000 0.367 214 G N 0.695 109.524 108.800 0.048 0.000 2.269 214 G HA2 -0.378 3.577 3.960 -0.009 0.000 0.277 214 G HA3 -0.378 3.577 3.960 -0.009 0.000 0.277 214 G C 0.181 175.107 174.900 0.043 0.000 1.008 214 G CA 0.976 46.105 45.100 0.047 0.000 0.774 214 G HN 0.413 nan 8.290 nan 0.000 0.511 215 T N -0.029 114.553 114.554 0.047 0.000 3.031 215 T HA 0.478 4.823 4.350 -0.009 0.000 0.305 215 T C -0.526 174.202 174.700 0.047 0.000 0.985 215 T CA -0.488 61.636 62.100 0.040 0.000 1.008 215 T CB 1.741 70.629 68.868 0.034 0.000 1.005 215 T HN 0.740 nan 8.240 nan 0.000 0.444 216 L N 3.228 124.475 121.223 0.040 0.000 2.289 216 L HA 0.684 5.019 4.340 -0.009 0.000 0.285 216 L C -0.100 176.774 176.870 0.007 0.000 1.049 216 L CA -0.109 54.757 54.840 0.044 0.000 0.804 216 L CB 1.060 43.145 42.059 0.044 0.000 1.195 216 L HN 0.647 nan 8.230 nan 0.000 0.428 217 E N 5.211 125.410 120.200 -0.002 0.000 2.182 217 E HA 0.372 4.717 4.350 -0.009 0.000 0.258 217 E C -1.151 175.290 176.600 -0.265 0.000 0.879 217 E CA -0.607 55.705 56.400 -0.146 0.000 0.754 217 E CB 0.988 30.592 29.700 -0.160 0.000 1.162 217 E HN 0.762 nan 8.360 nan 0.000 0.419 218 L N 3.353 124.424 121.223 -0.254 0.000 2.479 218 L HA 0.380 4.715 4.340 -0.009 0.000 0.248 218 L C -0.400 176.198 176.870 -0.452 0.000 1.205 218 L CA -0.330 54.412 54.840 -0.164 0.000 0.817 218 L CB 0.457 42.490 42.059 -0.043 0.000 1.162 218 L HN 0.612 nan 8.230 nan 0.000 0.486 219 F N -0.136 119.880 119.950 0.109 0.000 2.902 219 F HA 0.219 4.741 4.527 -0.008 0.000 0.368 219 F C -0.425 175.426 175.800 0.084 0.000 1.202 219 F CA -0.767 57.324 58.000 0.151 0.000 1.109 219 F CB 1.125 40.258 39.000 0.221 0.000 1.418 219 F HN 0.237 nan 8.300 nan 0.000 0.527 220 D N 2.690 123.213 120.400 0.206 0.000 2.460 220 D HA 0.487 5.122 4.640 -0.009 0.000 0.232 220 D C 0.802 177.189 176.300 0.144 0.000 1.079 220 D CA 1.015 55.099 54.000 0.141 0.000 0.864 220 D CB 1.343 42.206 40.800 0.105 0.000 1.048 220 D HN 0.739 nan 8.370 nan 0.000 0.523 221 G N 3.712 112.586 108.800 0.124 0.000 2.595 221 G HA2 -0.344 3.611 3.960 -0.009 0.000 0.297 221 G HA3 -0.344 3.611 3.960 -0.009 0.000 0.297 221 G C 0.881 175.829 174.900 0.079 0.000 1.181 221 G CA 0.825 45.974 45.100 0.082 0.000 0.963 221 G HN 0.847 nan 8.290 nan 0.000 0.541 222 A N -0.757 122.008 122.820 -0.093 0.000 2.167 222 A HA 0.733 5.048 4.320 -0.009 0.000 0.208 222 A C 0.705 178.100 177.584 -0.315 0.000 1.198 222 A CA 0.511 52.390 52.037 -0.264 0.000 0.863 222 A CB 0.274 18.944 19.000 -0.551 0.000 0.904 222 A HN 0.605 nan 8.150 nan 0.000 0.484 223 F N 1.130 121.149 119.950 0.114 0.000 2.422 223 F HA 0.464 4.986 4.527 -0.009 0.000 0.333 223 F C 1.021 176.847 175.800 0.042 0.000 1.095 223 F CA -0.513 57.529 58.000 0.070 0.000 1.038 223 F CB 1.806 40.830 39.000 0.039 0.000 1.156 223 F HN 0.147 nan 8.300 nan 0.000 0.483 224 S N 0.591 116.397 115.700 0.176 0.000 2.719 224 S HA 0.742 5.207 4.470 -0.009 0.000 0.285 224 S C -0.557 174.004 174.600 -0.064 0.000 1.137 224 S CA -0.646 57.498 58.200 -0.093 0.000 1.012 224 S CB 1.718 64.734 63.200 -0.308 0.000 1.134 224 S HN 0.538 nan 8.310 nan 0.000 0.544 225 T N 1.354 115.816 114.554 -0.153 0.000 3.313 225 T HA 0.401 4.745 4.350 -0.009 0.000 0.333 225 T C -0.778 173.864 174.700 -0.097 0.000 0.904 225 T CA -0.475 61.574 62.100 -0.086 0.000 1.079 225 T CB 0.903 69.741 68.868 -0.050 0.000 1.017 225 T HN 0.555 nan 8.240 nan 0.000 0.471 226 S N 2.774 118.431 115.700 -0.073 0.000 2.601 226 S HA 0.758 5.222 4.470 -0.009 0.000 0.271 226 S C 0.227 174.810 174.600 -0.027 0.000 1.305 226 S CA -0.754 57.415 58.200 -0.051 0.000 1.022 226 S CB 0.985 64.165 63.200 -0.032 0.000 0.940 226 S HN 0.726 nan 8.310 nan 0.000 0.525 227 R N 0.766 121.258 120.500 -0.013 0.000 2.644 227 R HA 0.251 4.586 4.340 -0.009 0.000 0.257 227 R C -1.760 174.545 176.300 0.008 0.000 1.082 227 R CA -0.606 55.492 56.100 -0.003 0.000 0.927 227 R CB 0.956 31.253 30.300 -0.005 0.000 1.258 227 R HN 0.605 nan 8.270 nan 0.000 0.459 228 R N 2.729 123.235 120.500 0.011 0.000 2.229 228 R HA 0.524 4.859 4.340 -0.009 0.000 0.328 228 R C -0.649 175.663 176.300 0.020 0.000 1.009 228 R CA -0.643 55.468 56.100 0.019 0.000 0.864 228 R CB 1.601 31.912 30.300 0.017 0.000 1.085 228 R HN 0.457 nan 8.270 nan 0.000 0.453 229 V N -0.668 119.264 119.914 0.029 0.000 3.204 229 V HA 0.479 4.594 4.120 -0.009 0.000 0.298 229 V C -0.810 175.312 176.094 0.048 0.000 1.328 229 V CA -1.396 60.922 62.300 0.029 0.000 1.035 229 V CB 2.193 34.028 31.823 0.020 0.000 1.095 229 V HN 0.605 nan 8.190 nan 0.000 0.442 230 K N 0.444 120.873 120.400 0.048 0.000 2.139 230 K HA 0.547 4.861 4.320 -0.009 0.000 0.243 230 K C 0.352 177.014 176.600 0.103 0.000 0.983 230 K CA -0.510 55.827 56.287 0.084 0.000 0.890 230 K CB 1.926 34.470 32.500 0.073 0.000 1.090 230 K HN 0.726 nan 8.250 nan 0.000 0.445 231 F N 2.567 122.524 119.950 0.012 0.000 2.095 231 F HA -0.205 4.318 4.527 -0.007 0.000 0.298 231 F C 1.920 177.721 175.800 0.001 0.000 1.104 231 F CA 1.644 59.649 58.000 0.008 0.000 1.232 231 F CB 0.179 39.186 39.000 0.011 0.000 0.987 231 F HN 0.588 nan 8.300 nan 0.000 0.475 232 E N 0.539 120.654 120.200 -0.142 0.000 2.510 232 E HA -0.195 4.150 4.350 -0.009 0.000 0.202 232 E C 1.382 177.850 176.600 -0.220 0.000 1.072 232 E CA 1.247 57.495 56.400 -0.254 0.000 0.883 232 E CB -0.654 29.031 29.700 -0.024 0.000 0.818 232 E HN 0.686 nan 8.360 nan 0.000 0.548 233 E N 0.706 120.807 120.200 -0.166 0.000 2.132 233 E HA 0.124 4.469 4.350 -0.009 0.000 0.193 233 E C 2.205 178.718 176.600 -0.146 0.000 0.951 233 E CA -0.086 56.247 56.400 -0.112 0.000 0.843 233 E CB -0.074 29.598 29.700 -0.047 0.000 0.807 233 E HN 0.089 nan 8.360 nan 0.000 0.467 234 L N 1.633 122.758 121.223 -0.163 0.000 2.270 234 L HA -0.222 4.113 4.340 -0.009 0.000 0.217 234 L C 2.408 179.163 176.870 -0.192 0.000 1.107 234 L CA 0.963 55.717 54.840 -0.143 0.000 0.772 234 L CB -0.554 41.439 42.059 -0.110 0.000 0.902 234 L HN 0.157 nan 8.230 nan 0.000 0.439 235 V N -3.830 115.907 119.914 -0.295 0.000 2.374 235 V HA -0.132 3.983 4.120 -0.009 0.000 0.241 235 V C 2.127 178.092 176.094 -0.215 0.000 1.034 235 V CA 1.165 63.301 62.300 -0.273 0.000 1.037 235 V CB -0.758 30.847 31.823 -0.363 0.000 0.682 235 V HN 0.307 nan 8.190 nan 0.000 0.463 236 E N 0.539 120.611 120.200 -0.213 0.000 2.219 236 E HA -0.268 4.077 4.350 -0.009 0.000 0.198 236 E C 2.181 178.712 176.600 -0.116 0.000 0.998 236 E CA 1.704 57.986 56.400 -0.197 0.000 0.818 236 E CB -0.083 29.549 29.700 -0.114 0.000 0.741 236 E HN 0.764 nan 8.360 nan 0.000 0.477 237 E N -0.364 119.784 120.200 -0.087 0.000 2.031 237 E HA -0.214 4.131 4.350 -0.009 0.000 0.193 237 E C 2.149 178.721 176.600 -0.047 0.000 0.994 237 E CA 1.269 57.642 56.400 -0.044 0.000 0.800 237 E CB -0.215 29.459 29.700 -0.043 0.000 0.752 237 E HN 0.318 nan 8.360 nan 0.000 0.447 238 C N 0.374 119.629 119.300 -0.075 0.000 2.468 238 C HA 0.004 4.459 4.460 -0.009 0.000 0.277 238 C C 2.599 177.538 174.990 -0.084 0.000 1.400 238 C CA 0.126 59.103 59.018 -0.068 0.000 1.770 238 C CB -0.670 27.029 27.740 -0.069 0.000 1.905 238 C HN 0.177 nan 8.230 nan 0.000 0.519 239 V N 1.481 121.308 119.914 -0.145 0.000 2.307 239 V HA -0.122 3.992 4.120 -0.009 0.000 0.245 239 V C 2.886 178.910 176.094 -0.118 0.000 1.045 239 V CA 2.124 64.293 62.300 -0.217 0.000 1.024 239 V CB -1.302 30.236 31.823 -0.474 0.000 0.651 239 V HN 0.615 nan 8.190 nan 0.000 0.449 240 A N -0.124 122.686 122.820 -0.016 0.000 1.940 240 A HA -0.256 4.059 4.320 -0.009 0.000 0.219 240 A C 2.018 179.671 177.584 0.116 0.000 1.176 240 A CA 1.897 54.081 52.037 0.246 0.000 0.631 240 A CB -0.476 18.666 19.000 0.236 0.000 0.814 240 A HN 0.663 nan 8.150 nan 0.000 0.446 241 E N -0.266 119.956 120.200 0.037 0.000 2.494 241 E HA -0.038 4.307 4.350 -0.009 0.000 0.193 241 E C 0.052 176.647 176.600 -0.007 0.000 1.074 241 E CA 0.005 56.412 56.400 0.011 0.000 0.867 241 E CB -0.159 29.536 29.700 -0.008 0.000 0.924 241 E HN 0.573 nan 8.360 nan 0.000 0.502 242 N N 0.570 119.268 118.700 -0.004 0.000 2.714 242 N HA -0.176 4.559 4.740 -0.009 0.000 0.253 242 N C 0.318 175.783 175.510 -0.075 0.000 1.024 242 N CA 0.699 53.731 53.050 -0.030 0.000 0.726 242 N CB -1.144 37.333 38.487 -0.015 0.000 0.908 242 N HN 0.404 nan 8.380 nan 0.000 0.542 243 G N -0.485 108.265 108.800 -0.083 0.000 2.939 243 G HA2 0.445 4.400 3.960 -0.009 0.000 0.216 243 G HA3 0.445 4.400 3.960 -0.009 0.000 0.216 243 G C 0.716 175.523 174.900 -0.155 0.000 1.125 243 G CA 0.821 45.857 45.100 -0.106 0.000 0.766 243 G HN 1.107 nan 8.290 nan 0.000 0.541 244 G N -0.702 108.011 108.800 -0.145 0.000 3.277 244 G HA2 0.065 4.019 3.960 -0.009 0.000 0.684 244 G HA3 0.065 4.019 3.960 -0.009 0.000 0.684 244 G C -0.609 174.345 174.900 0.090 0.000 0.923 244 G CA -0.303 44.716 45.100 -0.134 0.000 0.779 244 G HN 0.908 nan 8.290 nan 0.000 0.508 245 V N 3.883 123.934 119.914 0.229 0.000 2.495 245 V HA 0.691 4.806 4.120 -0.009 0.000 0.298 245 V C 0.727 176.852 176.094 0.053 0.000 1.031 245 V CA -0.929 61.426 62.300 0.091 0.000 0.871 245 V CB 1.972 33.778 31.823 -0.028 0.000 0.988 245 V HN 0.744 nan 8.190 nan 0.000 0.432 246 L N 4.804 125.977 121.223 -0.083 0.000 2.287 246 L HA 0.600 4.935 4.340 -0.009 0.000 0.287 246 L C -0.902 175.717 176.870 -0.419 0.000 1.022 246 L CA -0.629 54.011 54.840 -0.333 0.000 0.814 246 L CB 1.933 43.710 42.059 -0.469 0.000 1.217 246 L HN 0.449 nan 8.230 nan 0.000 0.420 247 V N 4.095 123.806 119.914 -0.338 0.000 2.326 247 V HA 0.337 4.451 4.120 -0.009 0.000 0.281 247 V C -0.208 175.804 176.094 -0.136 0.000 1.015 247 V CA -0.478 61.727 62.300 -0.158 0.000 0.823 247 V CB 1.012 32.892 31.823 0.094 0.000 1.009 247 V HN 0.428 nan 8.190 nan 0.000 0.436 248 F N 3.226 123.206 119.950 0.050 0.000 2.445 248 F HA 0.432 4.955 4.527 -0.007 0.000 0.359 248 F C 0.995 176.812 175.800 0.028 0.000 1.101 248 F CA -0.145 57.875 58.000 0.033 0.000 1.177 248 F CB 0.921 39.937 39.000 0.026 0.000 1.110 248 F HN 0.444 nan 8.300 nan 0.000 0.522 249 E N 0.754 121.093 120.200 0.232 0.000 2.264 249 E HA 0.206 4.551 4.350 -0.009 0.000 0.260 249 E C 0.313 176.977 176.600 0.107 0.000 0.961 249 E CA -0.157 56.317 56.400 0.123 0.000 0.834 249 E CB 1.885 31.639 29.700 0.090 0.000 1.230 249 E HN 0.555 nan 8.360 nan 0.000 0.412 250 S N -1.193 114.548 115.700 0.068 0.000 2.517 250 S HA 0.033 4.498 4.470 -0.009 0.000 0.214 250 S C 0.779 175.404 174.600 0.041 0.000 0.991 250 S CA 0.095 58.330 58.200 0.058 0.000 0.906 250 S CB -0.043 63.195 63.200 0.064 0.000 0.789 250 S HN 0.522 nan 8.310 nan 0.000 0.513 251 T N -1.214 113.355 114.554 0.025 0.000 2.916 251 T HA 0.525 4.870 4.350 -0.009 0.000 0.305 251 T C 0.335 175.019 174.700 -0.025 0.000 1.119 251 T CA -1.033 61.059 62.100 -0.013 0.000 1.008 251 T CB 1.789 70.635 68.868 -0.037 0.000 1.129 251 T HN -0.001 nan 8.240 nan 0.000 0.480 252 R N 0.349 120.790 120.500 -0.098 0.000 2.139 252 R HA -0.099 4.236 4.340 -0.009 0.000 0.243 252 R C 2.495 178.720 176.300 -0.125 0.000 1.145 252 R CA 1.538 57.535 56.100 -0.171 0.000 0.976 252 R CB -0.250 29.713 30.300 -0.562 0.000 0.866 252 R HN 0.641 nan 8.270 nan 0.000 0.449 253 R N 0.303 120.731 120.500 -0.120 0.000 2.075 253 R HA -0.095 4.240 4.340 -0.009 0.000 0.232 253 R C 2.309 178.567 176.300 -0.070 0.000 1.126 253 R CA 1.583 57.621 56.100 -0.103 0.000 0.963 253 R CB -0.385 29.862 30.300 -0.088 0.000 0.858 253 R HN 0.316 nan 8.270 nan 0.000 0.435 254 G N -0.086 108.689 108.800 -0.041 0.000 2.404 254 G HA2 -0.248 3.707 3.960 -0.009 0.000 0.215 254 G HA3 -0.248 3.707 3.960 -0.009 0.000 0.215 254 G C 1.508 176.412 174.900 0.006 0.000 1.174 254 G CA 0.707 45.796 45.100 -0.018 0.000 0.780 254 G HN 0.465 nan 8.290 nan 0.000 0.537 255 A N 1.033 123.874 122.820 0.035 0.000 1.873 255 A HA -0.123 4.191 4.320 -0.009 0.000 0.218 255 A C 2.167 179.781 177.584 0.051 0.000 1.193 255 A CA 2.143 54.234 52.037 0.091 0.000 0.629 255 A CB -0.580 18.529 19.000 0.182 0.000 0.826 255 A HN 0.459 nan 8.150 nan 0.000 0.447 256 E N -0.678 119.448 120.200 -0.122 0.000 2.077 256 E HA -0.209 4.135 4.350 -0.009 0.000 0.193 256 E C 2.152 178.729 176.600 -0.038 0.000 0.989 256 E CA 1.351 57.580 56.400 -0.285 0.000 0.800 256 E CB -0.146 29.200 29.700 -0.589 0.000 0.746 256 E HN 0.651 nan 8.360 nan 0.000 0.452 257 K N 0.456 120.837 120.400 -0.032 0.000 1.987 257 K HA -0.188 4.127 4.320 -0.009 0.000 0.216 257 K C 2.221 178.854 176.600 0.055 0.000 1.051 257 K CA 2.043 58.335 56.287 0.009 0.000 0.942 257 K CB -0.214 32.283 32.500 -0.006 0.000 0.722 257 K HN 0.019 nan 8.250 nan 0.000 0.444 258 T N 0.877 115.469 114.554 0.064 0.000 2.665 258 T HA -0.215 4.130 4.350 -0.009 0.000 0.268 258 T C 1.848 176.628 174.700 0.133 0.000 1.035 258 T CA 1.647 63.813 62.100 0.110 0.000 1.151 258 T CB -0.453 68.482 68.868 0.113 0.000 0.862 258 T HN 0.488 nan 8.240 nan 0.000 0.438 259 A N 0.718 123.627 122.820 0.149 0.000 1.908 259 A HA -0.091 4.224 4.320 -0.009 0.000 0.218 259 A C 2.584 180.252 177.584 0.139 0.000 1.181 259 A CA 1.596 53.731 52.037 0.165 0.000 0.627 259 A CB -1.015 18.160 19.000 0.291 0.000 0.818 259 A HN 0.386 nan 8.150 nan 0.000 0.445 260 V N -0.140 119.862 119.914 0.147 0.000 2.427 260 V HA -0.236 3.879 4.120 -0.009 0.000 0.248 260 V C 2.435 178.578 176.094 0.081 0.000 1.051 260 V CA 2.275 64.643 62.300 0.113 0.000 1.048 260 V CB -0.567 31.319 31.823 0.105 0.000 0.666 260 V HN 0.550 nan 8.190 nan 0.000 0.456 261 K N -0.124 120.325 120.400 0.083 0.000 2.007 261 K HA 0.017 4.332 4.320 -0.009 0.000 0.206 261 K C 2.055 178.692 176.600 0.061 0.000 1.047 261 K CA 1.087 57.419 56.287 0.074 0.000 0.937 261 K CB -0.267 32.288 32.500 0.091 0.000 0.718 261 K HN 0.322 nan 8.250 nan 0.000 0.438 262 L N 1.786 123.049 121.223 0.067 0.000 2.261 262 L HA -0.173 4.162 4.340 -0.009 0.000 0.216 262 L C 2.522 179.393 176.870 0.002 0.000 1.114 262 L CA 1.141 55.993 54.840 0.020 0.000 0.777 262 L CB -0.804 41.264 42.059 0.016 0.000 0.910 262 L HN 0.294 nan 8.230 nan 0.000 0.440 263 S N 0.054 115.770 115.700 0.027 0.000 2.423 263 S HA -0.128 4.337 4.470 -0.009 0.000 0.231 263 S C 2.209 176.825 174.600 0.025 0.000 1.014 263 S CA 0.720 58.933 58.200 0.022 0.000 0.965 263 S CB -0.272 62.949 63.200 0.036 0.000 0.785 263 S HN 0.366 nan 8.310 nan 0.000 0.495 264 A N 1.810 124.648 122.820 0.031 0.000 1.908 264 A HA 0.017 4.332 4.320 -0.009 0.000 0.218 264 A C 2.087 179.695 177.584 0.041 0.000 1.181 264 A CA 1.669 53.728 52.037 0.037 0.000 0.627 264 A CB -0.756 18.266 19.000 0.037 0.000 0.818 264 A HN 0.497 nan 8.150 nan 0.000 0.445 265 I N 0.384 120.962 120.570 0.014 0.000 2.110 265 I HA -0.186 3.979 4.170 -0.009 0.000 0.236 265 I C 2.922 179.031 176.117 -0.014 0.000 1.068 265 I CA 2.217 63.515 61.300 -0.004 0.000 1.333 265 I CB -1.076 36.870 38.000 -0.090 0.000 1.054 265 I HN 0.524 nan 8.210 nan 0.000 0.402 266 T N -0.636 113.870 114.554 -0.079 0.000 2.737 266 T HA -0.233 4.112 4.350 -0.009 0.000 0.269 266 T C 2.036 176.783 174.700 0.080 0.000 1.040 266 T CA 1.318 63.374 62.100 -0.072 0.000 1.142 266 T CB -1.008 67.828 68.868 -0.054 0.000 0.861 266 T HN 0.297 nan 8.240 nan 0.000 0.456 267 A N 3.412 126.277 122.820 0.074 0.000 1.903 267 A HA -0.197 4.118 4.320 -0.009 0.000 0.219 267 A C 2.143 179.802 177.584 0.125 0.000 1.191 267 A CA 2.080 54.166 52.037 0.083 0.000 0.638 267 A CB -0.824 18.212 19.000 0.059 0.000 0.823 267 A HN 0.863 nan 8.150 nan 0.000 0.451 268 K N -2.368 118.144 120.400 0.188 0.000 2.836 268 K HA 0.143 4.457 4.320 -0.009 0.000 0.236 268 K C 0.027 176.754 176.600 0.213 0.000 1.015 268 K CA 0.471 56.861 56.287 0.171 0.000 1.194 268 K CB -0.235 32.350 32.500 0.142 0.000 1.002 268 K HN 0.524 nan 8.250 nan 0.000 0.479 269 Y N -0.969 119.329 120.300 -0.004 0.000 2.589 269 Y HA 0.225 4.774 4.550 -0.001 0.000 0.274 269 Y C 0.243 176.140 175.900 -0.005 0.000 1.177 269 Y CA -0.461 57.635 58.100 -0.006 0.000 1.123 269 Y CB 1.467 39.922 38.460 -0.007 0.000 1.330 269 Y HN -0.090 nan 8.280 nan 0.000 0.518 270 V N 0.322 120.332 119.914 0.161 0.000 3.147 270 V HA 0.409 4.523 4.120 -0.009 0.000 0.306 270 V C -1.347 174.782 176.094 0.058 0.000 1.209 270 V CA -1.221 61.130 62.300 0.085 0.000 1.023 270 V CB 2.918 34.786 31.823 0.074 0.000 1.059 270 V HN 0.095 nan 8.190 nan 0.000 0.435 271 E N 1.606 121.828 120.200 0.037 0.000 2.409 271 E HA 0.383 4.728 4.350 -0.009 0.000 0.259 271 E C -0.293 176.318 176.600 0.018 0.000 0.932 271 E CA -0.452 55.963 56.400 0.026 0.000 0.809 271 E CB 1.132 30.845 29.700 0.021 0.000 1.341 271 E HN 0.672 nan 8.360 nan 0.000 0.405 272 N N 3.343 122.052 118.700 0.015 0.000 2.124 272 N HA -0.138 4.597 4.740 -0.009 0.000 0.188 272 N C 0.711 176.224 175.510 0.006 0.000 1.045 272 N CA 1.307 54.363 53.050 0.010 0.000 0.846 272 N CB -0.136 38.356 38.487 0.008 0.000 1.020 272 N HN 0.809 nan 8.380 nan 0.000 0.432 273 E N -1.138 119.064 120.200 0.003 0.000 4.570 273 E HA -0.264 4.081 4.350 -0.009 0.000 0.259 273 E C 1.263 177.863 176.600 0.000 0.000 0.782 273 E CA 1.286 57.687 56.400 0.002 0.000 1.422 273 E CB -1.499 28.203 29.700 0.004 0.000 1.734 273 E HN 0.478 nan 8.360 nan 0.000 0.390 274 G N 0.102 108.903 108.800 0.001 0.000 2.408 274 G HA2 -0.014 3.941 3.960 -0.009 0.000 0.215 274 G HA3 -0.014 3.941 3.960 -0.009 0.000 0.215 274 G C 1.396 176.295 174.900 -0.002 0.000 1.156 274 G CA 0.666 45.766 45.100 0.000 0.000 0.793 274 G HN 0.236 nan 8.290 nan 0.000 0.535 275 L N 0.276 121.497 121.223 -0.004 0.000 2.240 275 L HA 0.076 4.411 4.340 -0.009 0.000 0.211 275 L C 2.604 179.464 176.870 -0.017 0.000 1.106 275 L CA 0.874 55.708 54.840 -0.009 0.000 0.793 275 L CB -0.202 41.852 42.059 -0.008 0.000 0.927 275 L HN 0.343 nan 8.230 nan 0.000 0.446 276 E N 0.871 121.062 120.200 -0.015 0.000 2.331 276 E HA -0.276 4.069 4.350 -0.009 0.000 0.199 276 E C 2.099 178.691 176.600 -0.014 0.000 1.008 276 E CA 1.078 57.467 56.400 -0.018 0.000 0.843 276 E CB 0.184 29.877 29.700 -0.010 0.000 0.761 276 E HN 0.356 nan 8.360 nan 0.000 0.507 277 K N 0.011 120.405 120.400 -0.009 0.000 2.078 277 K HA 0.027 4.342 4.320 -0.009 0.000 0.203 277 K C 1.971 178.566 176.600 -0.007 0.000 1.043 277 K CA 0.818 57.102 56.287 -0.005 0.000 0.960 277 K CB -0.144 32.355 32.500 -0.002 0.000 0.761 277 K HN 0.112 nan 8.250 nan 0.000 0.448 278 A N 1.423 124.238 122.820 -0.008 0.000 2.225 278 A HA -0.071 4.244 4.320 -0.009 0.000 0.215 278 A C 1.751 179.326 177.584 -0.016 0.000 1.164 278 A CA 0.839 52.871 52.037 -0.009 0.000 0.710 278 A CB -0.349 18.647 19.000 -0.007 0.000 0.780 278 A HN 0.300 nan 8.150 nan 0.000 0.473 279 I N -1.384 119.171 120.570 -0.024 0.000 2.927 279 I HA 0.038 4.203 4.170 -0.009 0.000 0.268 279 I C 1.821 177.924 176.117 -0.023 0.000 1.153 279 I CA 0.881 62.158 61.300 -0.038 0.000 1.459 279 I CB -0.656 37.306 38.000 -0.064 0.000 1.149 279 I HN 0.269 nan 8.210 nan 0.000 0.443 280 L N 0.449 121.664 121.223 -0.013 0.000 2.592 280 L HA 0.026 4.361 4.340 -0.009 0.000 0.227 280 L C 2.172 179.046 176.870 0.006 0.000 1.127 280 L CA 0.153 54.993 54.840 -0.000 0.000 0.884 280 L CB -0.154 41.906 42.059 0.002 0.000 1.065 280 L HN 0.248 nan 8.230 nan 0.000 0.457 281 E N 1.301 121.503 120.200 0.003 0.000 2.005 281 E HA -0.314 4.031 4.350 -0.009 0.000 0.198 281 E C 1.935 178.544 176.600 0.016 0.000 1.010 281 E CA 1.923 58.328 56.400 0.009 0.000 0.825 281 E CB 0.032 29.735 29.700 0.006 0.000 0.769 281 E HN 0.476 nan 8.360 nan 0.000 0.456 282 E N -0.011 120.197 120.200 0.014 0.000 2.106 282 E HA -0.120 4.225 4.350 -0.009 0.000 0.192 282 E C 0.108 176.726 176.600 0.030 0.000 0.984 282 E CA 0.837 57.251 56.400 0.022 0.000 0.806 282 E CB 0.240 29.949 29.700 0.015 0.000 0.750 282 E HN 0.108 nan 8.360 nan 0.000 0.458 283 N N -0.944 117.771 118.700 0.025 0.000 2.484 283 N HA 0.144 4.879 4.740 -0.009 0.000 0.269 283 N C -1.409 174.119 175.510 0.030 0.000 1.237 283 N CA -0.502 52.568 53.050 0.034 0.000 0.838 283 N CB 1.736 40.245 38.487 0.037 0.000 1.593 283 N HN -0.101 nan 8.380 nan 0.000 0.485 284 E N 0.271 120.492 120.200 0.036 0.000 2.549 284 E HA 0.722 5.067 4.350 -0.009 0.000 0.200 284 E C -0.747 175.878 176.600 0.042 0.000 0.732 284 E CA -0.927 55.493 56.400 0.034 0.000 0.987 284 E CB 1.033 30.750 29.700 0.029 0.000 1.810 284 E HN 0.841 nan 8.360 nan 0.000 0.377 285 G N 1.101 109.925 108.800 0.040 0.000 2.716 285 G HA2 -0.266 3.689 3.960 -0.009 0.000 0.686 285 G HA3 -0.266 3.689 3.960 -0.009 0.000 0.686 285 G C 0.380 175.313 174.900 0.055 0.000 1.337 285 G CA 0.402 45.529 45.100 0.044 0.000 0.829 285 G HN 0.717 nan 8.290 nan 0.000 0.599 286 E N 0.021 120.251 120.200 0.051 0.000 2.675 286 E HA -0.417 3.928 4.350 -0.009 0.000 0.244 286 E C 2.399 179.053 176.600 0.090 0.000 0.956 286 E CA 3.330 59.765 56.400 0.058 0.000 1.237 286 E CB -0.244 29.483 29.700 0.045 0.000 1.217 286 E HN 0.775 nan 8.360 nan 0.000 0.503 287 M N -0.005 119.660 119.600 0.107 0.000 2.115 287 M HA -0.209 4.265 4.480 -0.009 0.000 0.258 287 M C 2.414 178.846 176.300 0.220 0.000 1.071 287 M CA 2.596 58.007 55.300 0.185 0.000 1.100 287 M CB -0.448 32.262 32.600 0.183 0.000 1.292 287 M HN 0.233 nan 8.290 nan 0.000 0.415 288 S N 0.156 115.937 115.700 0.135 0.000 2.387 288 S HA -0.184 4.281 4.470 -0.009 0.000 0.230 288 S C 1.808 176.440 174.600 0.053 0.000 1.035 288 S CA 1.486 59.731 58.200 0.075 0.000 1.014 288 S CB -0.403 62.826 63.200 0.047 0.000 0.836 288 S HN 0.455 nan 8.310 nan 0.000 0.466 289 R N 0.998 121.538 120.500 0.067 0.000 2.070 289 R HA -0.052 4.283 4.340 -0.009 0.000 0.232 289 R C 2.495 178.834 176.300 0.065 0.000 1.138 289 R CA 1.510 57.641 56.100 0.051 0.000 0.936 289 R CB -0.296 30.035 30.300 0.050 0.000 0.839 289 R HN 0.277 nan 8.270 nan 0.000 0.429 290 K N 0.927 121.399 120.400 0.120 0.000 2.160 290 K HA -0.186 4.129 4.320 -0.009 0.000 0.206 290 K C 2.035 178.729 176.600 0.156 0.000 1.047 290 K CA 1.281 57.673 56.287 0.175 0.000 0.930 290 K CB -0.135 32.520 32.500 0.259 0.000 0.720 290 K HN 0.218 nan 8.250 nan 0.000 0.450 291 L N 0.201 121.453 121.223 0.049 0.000 2.072 291 L HA -0.101 4.234 4.340 -0.009 0.000 0.205 291 L C 2.381 179.121 176.870 -0.217 0.000 1.079 291 L CA 1.399 56.010 54.840 -0.381 0.000 0.752 291 L CB -0.497 41.235 42.059 -0.545 0.000 0.906 291 L HN 0.293 nan 8.230 nan 0.000 0.436 292 A N -0.681 122.080 122.820 -0.098 0.000 1.902 292 A HA -0.229 4.086 4.320 -0.009 0.000 0.217 292 A C 2.072 179.631 177.584 -0.043 0.000 1.181 292 A CA 1.469 53.466 52.037 -0.066 0.000 0.623 292 A CB -0.537 18.445 19.000 -0.030 0.000 0.818 292 A HN 0.424 nan 8.150 nan 0.000 0.443 293 E N -0.684 119.507 120.200 -0.014 0.000 2.409 293 E HA -0.118 4.227 4.350 -0.009 0.000 0.198 293 E C 1.746 178.347 176.600 0.001 0.000 1.024 293 E CA 0.671 57.075 56.400 0.005 0.000 0.861 293 E CB -0.275 29.443 29.700 0.030 0.000 0.788 293 E HN 0.642 nan 8.360 nan 0.000 0.521 294 C N -1.085 118.197 119.300 -0.029 0.000 2.524 294 C HA 0.063 4.518 4.460 -0.009 0.000 0.284 294 C C 2.627 177.585 174.990 -0.052 0.000 1.346 294 C CA -0.094 58.905 59.018 -0.032 0.000 1.739 294 C CB -0.534 27.171 27.740 -0.058 0.000 2.119 294 C HN 0.180 nan 8.230 nan 0.000 0.501 295 V N 1.061 120.923 119.914 -0.087 0.000 2.490 295 V HA -0.169 3.945 4.120 -0.009 0.000 0.250 295 V C 2.664 178.742 176.094 -0.028 0.000 1.061 295 V CA 1.648 63.908 62.300 -0.066 0.000 1.064 295 V CB -0.746 31.027 31.823 -0.084 0.000 0.670 295 V HN 0.467 nan 8.190 nan 0.000 0.461 296 R N 0.328 120.815 120.500 -0.021 0.000 2.090 296 R HA -0.064 4.271 4.340 -0.009 0.000 0.228 296 R C 1.997 178.302 176.300 0.008 0.000 1.110 296 R CA 1.013 57.111 56.100 -0.004 0.000 0.973 296 R CB -0.058 30.241 30.300 -0.001 0.000 0.869 296 R HN 0.464 nan 8.270 nan 0.000 0.440 297 K N -0.762 119.644 120.400 0.010 0.000 2.487 297 K HA 0.076 4.391 4.320 -0.009 0.000 0.192 297 K C 0.766 177.380 176.600 0.024 0.000 1.027 297 K CA 0.666 56.966 56.287 0.023 0.000 1.054 297 K CB 0.664 33.179 32.500 0.025 0.000 0.824 297 K HN 0.408 nan 8.250 nan 0.000 0.510 298 G N 0.895 109.704 108.800 0.015 0.000 2.175 298 G HA2 -0.264 3.691 3.960 -0.009 0.000 0.244 298 G HA3 -0.264 3.691 3.960 -0.009 0.000 0.244 298 G C 0.190 175.095 174.900 0.007 0.000 0.982 298 G CA 0.124 45.236 45.100 0.019 0.000 0.641 298 G HN 0.507 nan 8.290 nan 0.000 0.527 299 A N -0.682 122.132 122.820 -0.010 0.000 2.373 299 A HA 1.169 5.484 4.320 -0.009 0.000 0.291 299 A C 0.287 177.833 177.584 -0.064 0.000 1.171 299 A CA -0.020 52.003 52.037 -0.023 0.000 0.922 299 A CB 1.625 20.622 19.000 -0.004 0.000 1.400 299 A HN 2.318 nan 8.150 nan 0.000 0.474 300 A N -0.690 122.080 122.820 -0.085 0.000 2.573 300 A HA 0.510 4.825 4.320 -0.009 0.000 0.312 300 A C -0.808 176.708 177.584 -0.114 0.000 1.041 300 A CA -0.584 51.344 52.037 -0.181 0.000 0.880 300 A CB -0.379 18.510 19.000 -0.185 0.000 1.249 300 A HN 1.920 nan 8.150 nan 0.000 0.385 301 F N 0.624 120.542 119.950 -0.054 0.000 2.377 301 F HA 0.877 5.399 4.527 -0.009 0.000 0.328 301 F C -0.000 175.753 175.800 -0.079 0.000 1.094 301 F CA -0.670 57.298 58.000 -0.054 0.000 1.093 301 F CB 0.886 39.859 39.000 -0.044 0.000 1.214 301 F HN 0.775 nan 8.300 nan 0.000 0.518 302 H N 1.933 121.067 119.070 0.106 0.000 3.181 302 H HA 0.478 5.029 4.556 -0.009 0.000 0.331 302 H C -1.472 173.890 175.328 0.056 0.000 0.988 302 H CA -0.581 55.456 56.048 -0.018 0.000 1.449 302 H CB 0.587 30.322 29.762 -0.045 0.000 1.749 302 H HN 0.954 nan 8.280 nan 0.000 0.501 303 H N 2.111 121.249 119.070 0.113 0.000 2.942 303 H HA 0.549 5.100 4.556 -0.008 0.000 0.316 303 H C 0.166 175.473 175.328 -0.034 0.000 1.323 303 H CA -0.589 55.510 56.048 0.084 0.000 1.144 303 H CB 0.733 30.545 29.762 0.084 0.000 1.866 303 H HN 0.429 nan 8.280 nan 0.000 0.545 304 A N -0.098 122.867 122.820 0.241 0.000 2.248 304 A HA 0.130 4.445 4.320 -0.009 0.000 0.210 304 A C 1.938 179.604 177.584 0.136 0.000 1.174 304 A CA 1.178 53.283 52.037 0.114 0.000 0.750 304 A CB -1.489 17.543 19.000 0.052 0.000 0.780 304 A HN 0.868 nan 8.150 nan 0.000 0.478 305 G N -0.633 108.385 108.800 0.364 0.000 2.603 305 G HA2 0.262 4.217 3.960 -0.009 0.000 0.214 305 G HA3 0.262 4.217 3.960 -0.009 0.000 0.214 305 G C 0.644 175.660 174.900 0.194 0.000 1.140 305 G CA -0.170 45.080 45.100 0.250 0.000 0.800 305 G HN 0.427 nan 8.290 nan 0.000 0.533 306 L N 1.059 122.360 121.223 0.130 0.000 2.436 306 L HA 0.341 4.676 4.340 -0.009 0.000 0.265 306 L C 0.458 177.314 176.870 -0.023 0.000 1.168 306 L CA -0.681 54.161 54.840 0.003 0.000 0.815 306 L CB 0.884 42.859 42.059 -0.141 0.000 1.109 306 L HN -0.047 nan 8.230 nan 0.000 0.462 307 L N 1.671 122.878 121.223 -0.025 0.000 2.452 307 L HA 0.072 4.407 4.340 -0.009 0.000 0.267 307 L C 1.222 178.064 176.870 -0.046 0.000 1.188 307 L CA -0.258 54.565 54.840 -0.028 0.000 0.821 307 L CB 0.359 42.408 42.059 -0.017 0.000 1.102 307 L HN 0.592 nan 8.230 nan 0.000 0.470 308 N N 1.515 120.192 118.700 -0.038 0.000 2.272 308 N HA -0.144 4.591 4.740 -0.009 0.000 0.185 308 N C 1.644 177.137 175.510 -0.028 0.000 1.014 308 N CA 1.287 54.316 53.050 -0.034 0.000 0.870 308 N CB -0.213 38.258 38.487 -0.026 0.000 0.975 308 N HN 0.827 nan 8.380 nan 0.000 0.433 309 G N 0.849 109.634 108.800 -0.026 0.000 2.434 309 G HA2 -0.251 3.704 3.960 -0.009 0.000 0.214 309 G HA3 -0.251 3.704 3.960 -0.009 0.000 0.214 309 G C 1.284 176.168 174.900 -0.027 0.000 1.202 309 G CA 0.360 45.448 45.100 -0.020 0.000 0.788 309 G HN 0.306 nan 8.290 nan 0.000 0.539 310 Q N 0.010 119.785 119.800 -0.042 0.000 2.248 310 Q HA -0.106 4.229 4.340 -0.009 0.000 0.208 310 Q C 2.767 178.721 176.000 -0.076 0.000 0.984 310 Q CA 0.807 56.571 55.803 -0.065 0.000 0.875 310 Q CB -0.117 28.571 28.738 -0.083 0.000 0.910 310 Q HN 0.301 nan 8.270 nan 0.000 0.433 311 R N 0.792 121.246 120.500 -0.077 0.000 2.064 311 R HA -0.046 4.289 4.340 -0.009 0.000 0.228 311 R C 2.180 178.507 176.300 0.046 0.000 1.144 311 R CA 1.274 57.335 56.100 -0.065 0.000 0.932 311 R CB -0.582 29.675 30.300 -0.072 0.000 0.833 311 R HN 0.283 nan 8.270 nan 0.000 0.429 312 R N 0.452 120.972 120.500 0.033 0.000 2.091 312 R HA -0.091 4.244 4.340 -0.009 0.000 0.238 312 R C 2.433 178.757 176.300 0.040 0.000 1.136 312 R CA 1.403 57.531 56.100 0.046 0.000 0.959 312 R CB -0.696 29.621 30.300 0.028 0.000 0.856 312 R HN 0.008 nan 8.270 nan 0.000 0.437 313 V N 0.627 120.551 119.914 0.017 0.000 2.231 313 V HA -0.304 3.811 4.120 -0.009 0.000 0.250 313 V C 2.370 178.478 176.094 0.024 0.000 1.058 313 V CA 2.116 64.423 62.300 0.010 0.000 1.022 313 V CB -0.503 31.313 31.823 -0.012 0.000 0.640 313 V HN 0.162 nan 8.190 nan 0.000 0.445 314 V N -0.182 119.744 119.914 0.020 0.000 2.287 314 V HA -0.314 3.801 4.120 -0.009 0.000 0.248 314 V C 2.401 178.540 176.094 0.076 0.000 1.053 314 V CA 2.389 64.706 62.300 0.029 0.000 1.027 314 V CB -0.778 31.064 31.823 0.032 0.000 0.646 314 V HN 0.670 nan 8.190 nan 0.000 0.447 315 E N -0.103 120.155 120.200 0.098 0.000 2.031 315 E HA -0.236 4.109 4.350 -0.009 0.000 0.193 315 E C 2.000 178.678 176.600 0.129 0.000 0.994 315 E CA 1.531 58.000 56.400 0.114 0.000 0.800 315 E CB -0.309 29.454 29.700 0.105 0.000 0.752 315 E HN 0.595 nan 8.360 nan 0.000 0.447 316 D N 0.889 121.341 120.400 0.086 0.000 2.103 316 D HA -0.179 4.456 4.640 -0.009 0.000 0.190 316 D C 1.956 178.296 176.300 0.068 0.000 0.997 316 D CA 1.630 55.668 54.000 0.063 0.000 0.833 316 D CB -0.516 40.309 40.800 0.040 0.000 0.961 316 D HN 0.193 nan 8.370 nan 0.000 0.447 317 A N 0.091 122.955 122.820 0.073 0.000 1.978 317 A HA -0.189 4.126 4.320 -0.009 0.000 0.220 317 A C 2.157 179.815 177.584 0.123 0.000 1.170 317 A CA 1.058 53.139 52.037 0.073 0.000 0.636 317 A CB -1.130 17.905 19.000 0.058 0.000 0.810 317 A HN 0.330 nan 8.150 nan 0.000 0.448 318 F N 0.197 120.132 119.950 -0.024 0.000 2.234 318 F HA -0.166 4.355 4.527 -0.009 0.000 0.299 318 F C 2.473 178.255 175.800 -0.031 0.000 1.087 318 F CA 1.304 59.284 58.000 -0.033 0.000 1.340 318 F CB 0.054 39.029 39.000 -0.041 0.000 1.031 318 F HN 0.170 nan 8.300 nan 0.000 0.500 319 R N -0.115 120.361 120.500 -0.039 0.000 2.075 319 R HA -0.018 4.317 4.340 -0.009 0.000 0.226 319 R C 1.974 178.208 176.300 -0.111 0.000 1.114 319 R CA 0.883 56.906 56.100 -0.129 0.000 0.972 319 R CB -0.411 29.864 30.300 -0.041 0.000 0.869 319 R HN 0.141 nan 8.270 nan 0.000 0.437 320 R N 0.106 120.576 120.500 -0.050 0.000 2.357 320 R HA -0.023 4.312 4.340 -0.009 0.000 0.202 320 R C 1.107 177.376 176.300 -0.052 0.000 1.047 320 R CA 0.825 56.901 56.100 -0.039 0.000 1.034 320 R CB -0.110 30.183 30.300 -0.011 0.000 0.875 320 R HN 0.540 nan 8.270 nan 0.000 0.473 321 G N -0.000 108.747 108.800 -0.087 0.000 2.205 321 G HA2 -0.399 3.556 3.960 -0.009 0.000 0.261 321 G HA3 -0.399 3.556 3.960 -0.009 0.000 0.261 321 G C 0.584 175.471 174.900 -0.021 0.000 0.980 321 G CA 0.666 45.714 45.100 -0.087 0.000 0.632 321 G HN 0.524 nan 8.290 nan 0.000 0.533 322 N N -0.325 118.379 118.700 0.006 0.000 2.166 322 N HA 0.026 4.761 4.740 -0.009 0.000 0.186 322 N C 0.498 176.039 175.510 0.053 0.000 1.019 322 N CA 0.834 53.900 53.050 0.027 0.000 0.856 322 N CB 0.087 38.590 38.487 0.025 0.000 0.993 322 N HN 0.338 nan 8.380 nan 0.000 0.426 323 I N 1.822 122.452 120.570 0.100 0.000 2.297 323 I HA 0.093 4.257 4.170 -0.009 0.000 0.291 323 I C 0.834 177.098 176.117 0.244 0.000 1.033 323 I CA -0.075 61.323 61.300 0.164 0.000 1.253 323 I CB 1.559 39.692 38.000 0.222 0.000 1.396 323 I HN 0.009 nan 8.210 nan 0.000 0.476 324 K N 4.520 125.000 120.400 0.135 0.000 2.167 324 K HA 0.134 4.449 4.320 -0.009 0.000 0.203 324 K C 0.318 177.050 176.600 0.220 0.000 1.052 324 K CA 0.868 57.218 56.287 0.104 0.000 0.956 324 K CB 0.320 32.806 32.500 -0.025 0.000 0.735 324 K HN 0.402 nan 8.250 nan 0.000 0.451 325 V N 0.941 120.936 119.914 0.136 0.000 2.841 325 V HA 0.366 4.481 4.120 -0.009 0.000 0.310 325 V C -0.649 175.335 176.094 -0.184 0.000 1.090 325 V CA -1.063 61.251 62.300 0.024 0.000 0.930 325 V CB 2.514 34.315 31.823 -0.037 0.000 1.014 325 V HN -0.275 nan 8.190 nan 0.000 0.425 326 V N 3.934 123.597 119.914 -0.418 0.000 2.482 326 V HA 0.439 4.554 4.120 -0.009 0.000 0.295 326 V C -0.468 175.468 176.094 -0.262 0.000 1.026 326 V CA -0.542 61.480 62.300 -0.464 0.000 0.856 326 V CB 2.056 33.339 31.823 -0.900 0.000 1.001 326 V HN 0.657 nan 8.190 nan 0.000 0.424 327 V N 4.681 124.547 119.914 -0.079 0.000 2.333 327 V HA 0.849 4.964 4.120 -0.009 0.000 0.274 327 V C 0.470 176.627 176.094 0.105 0.000 1.028 327 V CA -0.120 62.194 62.300 0.023 0.000 0.851 327 V CB 1.060 32.944 31.823 0.102 0.000 1.000 327 V HN 0.978 nan 8.190 nan 0.000 0.456 328 A N 4.064 126.966 122.820 0.137 0.000 2.437 328 A HA 0.992 5.307 4.320 -0.009 0.000 0.292 328 A C 0.202 177.971 177.584 0.308 0.000 1.173 328 A CA -0.134 52.053 52.037 0.250 0.000 0.785 328 A CB 1.943 21.071 19.000 0.213 0.000 1.351 328 A HN 0.788 nan 8.150 nan 0.000 0.431 329 T N -2.781 111.935 114.554 0.271 0.000 2.864 329 T HA 0.560 4.905 4.350 -0.009 0.000 0.276 329 T C -2.253 172.502 174.700 0.091 0.000 1.006 329 T CA -1.427 60.781 62.100 0.180 0.000 0.970 329 T CB 0.288 69.257 68.868 0.169 0.000 1.420 329 T HN 0.204 nan 8.240 nan 0.000 0.601 330 P HA -0.035 nan 4.420 nan 0.000 0.234 330 P C 1.417 178.705 177.300 -0.020 0.000 1.162 330 P CA 1.024 64.091 63.100 -0.055 0.000 0.759 330 P CB -0.534 31.149 31.700 -0.029 0.000 0.813 331 T N -0.351 114.247 114.554 0.073 0.000 2.545 331 T HA -0.195 4.150 4.350 -0.009 0.000 0.261 331 T C 1.340 176.097 174.700 0.095 0.000 1.097 331 T CA 1.539 63.715 62.100 0.126 0.000 1.189 331 T CB -1.381 67.653 68.868 0.278 0.000 0.863 331 T HN 0.051 nan 8.240 nan 0.000 0.405 332 L N 0.548 121.823 121.223 0.087 0.000 2.660 332 L HA 0.699 5.034 4.340 -0.009 0.000 0.238 332 L C 2.254 179.129 176.870 0.009 0.000 1.161 332 L CA -0.139 54.711 54.840 0.017 0.000 0.937 332 L CB -1.655 40.308 42.059 -0.161 0.000 1.122 332 L HN 0.313 nan 8.230 nan 0.000 0.435 333 A N 0.755 123.511 122.820 -0.107 0.000 1.855 333 A HA 0.314 4.629 4.320 -0.009 0.000 0.215 333 A C 2.066 179.582 177.584 -0.113 0.000 1.191 333 A CA 1.438 53.298 52.037 -0.296 0.000 0.613 333 A CB -0.521 18.227 19.000 -0.419 0.000 0.829 333 A HN 0.603 nan 8.150 nan 0.000 0.442 334 A N -1.385 121.402 122.820 -0.055 0.000 2.643 334 A HA 0.570 4.885 4.320 -0.009 0.000 0.295 334 A C 1.239 178.837 177.584 0.022 0.000 1.065 334 A CA 0.738 52.774 52.037 -0.003 0.000 0.986 334 A CB -0.410 18.592 19.000 0.003 0.000 1.212 334 A HN 0.605 nan 8.150 nan 0.000 0.516 335 G N -0.091 108.726 108.800 0.029 0.000 2.549 335 G HA2 0.397 4.352 3.960 -0.009 0.000 0.219 335 G HA3 0.397 4.352 3.960 -0.009 0.000 0.219 335 G C 0.398 175.330 174.900 0.054 0.000 1.677 335 G CA 0.831 45.959 45.100 0.047 0.000 0.929 335 G HN 0.708 nan 8.290 nan 0.000 0.549 336 V N -0.391 119.557 119.914 0.057 0.000 2.732 336 V HA 0.473 4.588 4.120 -0.009 0.000 0.310 336 V C -0.261 175.868 176.094 0.058 0.000 1.053 336 V CA -1.388 60.947 62.300 0.058 0.000 0.957 336 V CB 1.507 33.369 31.823 0.064 0.000 1.018 336 V HN 0.368 nan 8.190 nan 0.000 0.452 337 N N 2.329 121.064 118.700 0.058 0.000 2.406 337 N HA 0.235 4.970 4.740 -0.009 0.000 0.274 337 N C -0.883 174.666 175.510 0.066 0.000 1.249 337 N CA 0.211 53.295 53.050 0.056 0.000 0.951 337 N CB -0.266 38.248 38.487 0.046 0.000 1.241 337 N HN 0.730 nan 8.380 nan 0.000 0.485 338 L N 5.936 127.211 121.223 0.086 0.000 2.417 338 L HA 0.453 4.787 4.340 -0.009 0.000 0.259 338 L C -2.044 174.904 176.870 0.130 0.000 1.023 338 L CA -1.737 53.187 54.840 0.139 0.000 0.901 338 L CB 1.541 43.709 42.059 0.183 0.000 1.227 338 L HN 0.462 nan 8.230 nan 0.000 0.454 339 P HA 0.512 nan 4.420 nan 0.000 0.276 339 P C -0.976 176.305 177.300 -0.032 0.000 1.244 339 P CA -0.281 62.819 63.100 0.001 0.000 0.801 339 P CB 2.289 33.963 31.700 -0.044 0.000 1.006 340 A N 1.347 124.148 122.820 -0.032 0.000 2.583 340 A HA 0.309 4.624 4.320 -0.009 0.000 0.298 340 A C 0.940 178.498 177.584 -0.044 0.000 1.055 340 A CA -0.656 51.349 52.037 -0.053 0.000 0.714 340 A CB 0.885 19.941 19.000 0.092 0.000 1.277 340 A HN 0.552 nan 8.150 nan 0.000 0.406 341 R N 0.428 120.891 120.500 -0.061 0.000 2.081 341 R HA -0.028 4.307 4.340 -0.009 0.000 0.235 341 R C 0.512 176.794 176.300 -0.030 0.000 1.131 341 R CA 1.242 57.314 56.100 -0.047 0.000 0.960 341 R CB 0.007 30.277 30.300 -0.050 0.000 0.856 341 R HN 0.667 nan 8.270 nan 0.000 0.436 342 R N 0.225 120.709 120.500 -0.027 0.000 2.598 342 R HA 0.456 4.791 4.340 -0.009 0.000 0.279 342 R C -1.196 175.084 176.300 -0.034 0.000 0.984 342 R CA -0.706 55.380 56.100 -0.023 0.000 0.999 342 R CB 2.259 32.540 30.300 -0.032 0.000 1.114 342 R HN -0.012 nan 8.270 nan 0.000 0.493 343 V N 3.910 123.802 119.914 -0.036 0.000 2.817 343 V HA 0.384 4.498 4.120 -0.009 0.000 0.303 343 V C -1.008 175.071 176.094 -0.026 0.000 1.151 343 V CA -0.764 61.481 62.300 -0.091 0.000 0.929 343 V CB 2.545 34.333 31.823 -0.059 0.000 1.030 343 V HN 0.507 nan 8.190 nan 0.000 0.427 344 I N 5.007 125.542 120.570 -0.057 0.000 2.439 344 I HA 0.441 4.606 4.170 -0.009 0.000 0.285 344 I C -0.225 175.953 176.117 0.101 0.000 1.021 344 I CA -0.753 60.594 61.300 0.079 0.000 1.091 344 I CB 1.826 39.950 38.000 0.206 0.000 1.242 344 I HN 0.229 nan 8.210 nan 0.000 0.439 345 V N 7.345 127.357 119.914 0.164 0.000 2.406 345 V HA 0.349 4.464 4.120 -0.009 0.000 0.272 345 V C 1.522 177.666 176.094 0.083 0.000 1.043 345 V CA -0.544 61.867 62.300 0.185 0.000 0.915 345 V CB 1.385 33.338 31.823 0.216 0.000 0.988 345 V HN 0.632 nan 8.190 nan 0.000 0.466 346 R N 2.147 122.674 120.500 0.045 0.000 2.275 346 R HA 0.185 4.520 4.340 -0.009 0.000 0.199 346 R C 0.608 176.894 176.300 -0.024 0.000 0.989 346 R CA 0.360 56.429 56.100 -0.052 0.000 1.016 346 R CB 0.582 30.812 30.300 -0.115 0.000 0.918 346 R HN 0.640 nan 8.270 nan 0.000 0.473 347 S N -0.768 114.937 115.700 0.009 0.000 2.542 347 S HA 0.266 4.731 4.470 -0.009 0.000 0.276 347 S C 0.127 174.695 174.600 -0.054 0.000 1.148 347 S CA -0.713 57.499 58.200 0.021 0.000 0.886 347 S CB 0.996 64.251 63.200 0.092 0.000 1.109 347 S HN 0.057 nan 8.310 nan 0.000 0.458 348 L N 2.654 123.763 121.223 -0.189 0.000 2.558 348 L HA 0.290 4.624 4.340 -0.009 0.000 0.225 348 L C -0.104 176.531 176.870 -0.392 0.000 1.128 348 L CA 0.213 54.802 54.840 -0.419 0.000 0.868 348 L CB -0.221 41.431 42.059 -0.677 0.000 1.006 348 L HN 0.608 nan 8.230 nan 0.000 0.454 349 Y N -0.203 120.067 120.300 -0.050 0.000 2.408 349 Y HA 0.599 5.144 4.550 -0.009 0.000 0.324 349 Y C 0.444 176.328 175.900 -0.026 0.000 1.302 349 Y CA -0.747 57.332 58.100 -0.035 0.000 1.384 349 Y CB 0.870 39.319 38.460 -0.017 0.000 1.367 349 Y HN -0.123 nan 8.280 nan 0.000 0.525 350 R N 0.293 120.891 120.500 0.163 0.000 2.725 350 R HA 0.246 4.581 4.340 -0.009 0.000 0.254 350 R C -2.311 174.032 176.300 0.073 0.000 1.076 350 R CA -0.716 55.444 56.100 0.099 0.000 0.940 350 R CB 0.691 31.017 30.300 0.042 0.000 1.260 350 R HN 0.583 nan 8.270 nan 0.000 0.466 351 F N 3.233 123.166 119.950 -0.029 0.000 2.472 351 F HA 0.290 4.812 4.527 -0.009 0.000 0.364 351 F C -0.304 175.467 175.800 -0.048 0.000 1.090 351 F CA 0.561 58.534 58.000 -0.045 0.000 1.188 351 F CB 0.881 39.869 39.000 -0.020 0.000 1.105 351 F HN 0.479 nan 8.300 nan 0.000 0.536 352 D N 4.112 124.193 120.400 -0.533 0.000 2.934 352 D HA 0.337 4.972 4.640 -0.009 0.000 0.249 352 D C 0.491 176.516 176.300 -0.459 0.000 1.293 352 D CA 0.732 54.526 54.000 -0.343 0.000 0.812 352 D CB 0.277 40.952 40.800 -0.208 0.000 1.439 352 D HN 0.754 nan 8.370 nan 0.000 0.555 353 G N 1.410 109.845 108.800 -0.609 0.000 3.079 353 G HA2 -0.233 3.722 3.960 -0.009 0.000 0.214 353 G HA3 -0.233 3.722 3.960 -0.009 0.000 0.214 353 G C -0.135 174.439 174.900 -0.543 0.000 1.335 353 G CA 0.640 45.555 45.100 -0.308 0.000 0.822 353 G HN 0.678 nan 8.290 nan 0.000 0.545 354 Y N -0.073 119.746 120.300 -0.802 0.000 2.705 354 Y HA 0.734 5.279 4.550 -0.008 0.000 0.332 354 Y C 0.129 175.823 175.900 -0.342 0.000 1.221 354 Y CA -1.151 56.623 58.100 -0.544 0.000 1.059 354 Y CB 0.381 38.746 38.460 -0.158 0.000 1.298 354 Y HN 0.857 nan 8.280 nan 0.000 0.459 355 S N 1.545 117.213 115.700 -0.053 0.000 2.481 355 S HA 0.312 4.777 4.470 -0.009 0.000 0.282 355 S C -0.432 174.048 174.600 -0.200 0.000 1.243 355 S CA -0.576 57.601 58.200 -0.038 0.000 1.078 355 S CB 0.132 63.329 63.200 -0.006 0.000 0.916 355 S HN 0.799 nan 8.310 nan 0.000 0.495 356 K N 2.933 123.203 120.400 -0.216 0.000 2.464 356 K HA 0.327 4.642 4.320 -0.009 0.000 0.253 356 K C -0.666 175.937 176.600 0.005 0.000 0.933 356 K CA -0.849 55.293 56.287 -0.243 0.000 0.801 356 K CB 1.494 33.559 32.500 -0.725 0.000 1.271 356 K HN 0.646 nan 8.250 nan 0.000 0.430 357 R N 3.571 124.067 120.500 -0.007 0.000 2.537 357 R HA 0.125 4.460 4.340 -0.009 0.000 0.280 357 R C 0.868 177.153 176.300 -0.025 0.000 1.058 357 R CA -0.446 55.570 56.100 -0.139 0.000 1.057 357 R CB 0.218 30.436 30.300 -0.137 0.000 0.973 357 R HN 0.563 nan 8.270 nan 0.000 0.438 358 I N -0.321 120.236 120.570 -0.023 0.000 2.882 358 I HA 0.125 4.290 4.170 -0.009 0.000 0.286 358 I C -0.006 176.193 176.117 0.136 0.000 1.139 358 I CA -0.202 61.117 61.300 0.032 0.000 1.379 358 I CB 0.400 38.405 38.000 0.009 0.000 1.410 358 I HN 0.484 nan 8.210 nan 0.000 0.594 359 K N 3.200 123.662 120.400 0.104 0.000 2.436 359 K HA 0.109 4.424 4.320 -0.009 0.000 0.275 359 K C 1.276 178.007 176.600 0.219 0.000 0.999 359 K CA -0.400 55.956 56.287 0.116 0.000 0.980 359 K CB 0.979 33.520 32.500 0.068 0.000 0.919 359 K HN 0.511 nan 8.250 nan 0.000 0.484 360 V N 2.196 122.218 119.914 0.179 0.000 2.317 360 V HA -0.314 3.801 4.120 -0.009 0.000 0.251 360 V C 2.056 178.297 176.094 0.245 0.000 1.065 360 V CA 2.090 64.544 62.300 0.257 0.000 1.049 360 V CB -0.512 31.313 31.823 0.004 0.000 0.651 360 V HN 0.812 nan 8.190 nan 0.000 0.450 361 S N -0.417 115.357 115.700 0.124 0.000 2.365 361 S HA -0.285 4.179 4.470 -0.009 0.000 0.225 361 S C 1.891 176.529 174.600 0.064 0.000 1.039 361 S CA 1.993 60.237 58.200 0.074 0.000 1.033 361 S CB -0.386 62.851 63.200 0.062 0.000 0.887 361 S HN 0.746 nan 8.310 nan 0.000 0.447 362 E N -0.159 120.090 120.200 0.082 0.000 2.058 362 E HA -0.227 4.118 4.350 -0.009 0.000 0.194 362 E C 1.979 178.592 176.600 0.021 0.000 0.997 362 E CA 1.616 58.036 56.400 0.035 0.000 0.801 362 E CB -0.343 29.378 29.700 0.035 0.000 0.746 362 E HN 0.708 nan 8.360 nan 0.000 0.450 363 Y N 2.119 122.430 120.300 0.019 0.000 2.114 363 Y HA -0.180 4.365 4.550 -0.009 0.000 0.284 363 Y C 2.017 177.934 175.900 0.028 0.000 1.143 363 Y CA 1.469 59.571 58.100 0.003 0.000 1.135 363 Y CB -0.028 38.437 38.460 0.007 0.000 0.980 363 Y HN -0.226 nan 8.280 nan 0.000 0.499 364 K N 0.389 120.627 120.400 -0.270 0.000 2.152 364 K HA -0.219 4.096 4.320 -0.009 0.000 0.206 364 K C 2.041 178.477 176.600 -0.274 0.000 1.048 364 K CA 1.443 57.521 56.287 -0.348 0.000 0.933 364 K CB -0.425 32.035 32.500 -0.067 0.000 0.721 364 K HN 0.528 nan 8.250 nan 0.000 0.447 365 Q N -0.156 119.541 119.800 -0.172 0.000 2.378 365 Q HA 0.059 4.394 4.340 -0.009 0.000 0.205 365 Q C 1.829 177.755 176.000 -0.124 0.000 0.954 365 Q CA 0.495 56.227 55.803 -0.118 0.000 0.901 365 Q CB 0.255 28.958 28.738 -0.059 0.000 0.981 365 Q HN 0.350 nan 8.270 nan 0.000 0.483 366 M N -1.117 118.380 119.600 -0.171 0.000 2.276 366 M HA 0.012 4.487 4.480 -0.009 0.000 0.262 366 M C 2.210 178.560 176.300 0.084 0.000 1.098 366 M CA 1.086 56.367 55.300 -0.032 0.000 1.167 366 M CB -0.193 32.393 32.600 -0.024 0.000 1.337 366 M HN 0.124 nan 8.290 nan 0.000 0.446 367 A N 0.571 123.283 122.820 -0.180 0.000 2.019 367 A HA -0.043 4.271 4.320 -0.009 0.000 0.219 367 A C 2.180 179.697 177.584 -0.112 0.000 1.164 367 A CA 1.719 53.650 52.037 -0.177 0.000 0.644 367 A CB -1.426 17.312 19.000 -0.437 0.000 0.805 367 A HN 0.590 nan 8.150 nan 0.000 0.449 368 G N -0.473 108.253 108.800 -0.123 0.000 2.535 368 G HA2 -0.154 3.800 3.960 -0.009 0.000 0.218 368 G HA3 -0.154 3.800 3.960 -0.009 0.000 0.218 368 G C 1.525 176.399 174.900 -0.043 0.000 1.122 368 G CA 0.641 45.688 45.100 -0.088 0.000 0.769 368 G HN 0.653 nan 8.290 nan 0.000 0.549 369 R N 0.125 120.627 120.500 0.004 0.000 2.300 369 R HA 0.334 4.669 4.340 -0.009 0.000 0.199 369 R C 1.065 177.371 176.300 0.009 0.000 0.920 369 R CA 0.271 56.390 56.100 0.031 0.000 1.046 369 R CB 0.291 30.656 30.300 0.109 0.000 0.984 369 R HN 0.224 nan 8.270 nan 0.000 0.493 370 A N 1.867 124.681 122.820 -0.010 0.000 2.396 370 A HA 0.514 4.829 4.320 -0.009 0.000 0.279 370 A C 0.436 177.995 177.584 -0.042 0.000 1.165 370 A CA 0.358 52.382 52.037 -0.022 0.000 0.824 370 A CB 0.090 19.078 19.000 -0.019 0.000 1.100 370 A HN 0.371 nan 8.150 nan 0.000 0.516 371 G N 2.828 111.600 108.800 -0.046 0.000 3.071 371 G HA2 0.026 3.981 3.960 -0.009 0.000 0.620 371 G HA3 0.026 3.981 3.960 -0.009 0.000 0.620 371 G C -0.645 174.212 174.900 -0.071 0.000 1.204 371 G CA -1.087 43.975 45.100 -0.062 0.000 1.200 371 G HN 0.954 nan 8.290 nan 0.000 0.530 372 R N 3.637 124.094 120.500 -0.072 0.000 2.242 372 R HA 0.396 4.731 4.340 -0.009 0.000 0.334 372 R C -2.118 174.132 176.300 -0.082 0.000 1.071 372 R CA -1.502 54.551 56.100 -0.078 0.000 0.922 372 R CB 1.200 31.448 30.300 -0.085 0.000 1.023 372 R HN 0.362 nan 8.270 nan 0.000 0.458 373 P HA 0.025 nan 4.420 nan 0.000 0.269 373 P C 0.368 177.615 177.300 -0.088 0.000 1.252 373 P CA 0.413 63.450 63.100 -0.106 0.000 0.780 373 P CB 1.008 32.637 31.700 -0.118 0.000 0.829 374 G N 3.241 111.994 108.800 -0.078 0.000 2.148 374 G HA2 -0.232 3.723 3.960 -0.009 0.000 0.203 374 G HA3 -0.232 3.723 3.960 -0.009 0.000 0.203 374 G C 0.371 175.244 174.900 -0.044 0.000 0.993 374 G CA 0.250 45.315 45.100 -0.057 0.000 0.661 374 G HN 0.480 nan 8.290 nan 0.000 0.518 375 M N -0.908 118.663 119.600 -0.048 0.000 1.923 375 M HA 0.247 4.722 4.480 -0.009 0.000 0.249 375 M C -0.732 175.545 176.300 -0.039 0.000 1.178 375 M CA 0.057 55.330 55.300 -0.044 0.000 1.033 375 M CB 0.756 33.321 32.600 -0.059 0.000 1.801 375 M HN 0.007 nan 8.290 nan 0.000 0.629 376 D N 0.915 121.289 120.400 -0.044 0.000 2.248 376 D HA 0.227 4.862 4.640 -0.009 0.000 0.246 376 D C 0.076 176.359 176.300 -0.027 0.000 1.027 376 D CA -0.160 53.818 54.000 -0.036 0.000 0.853 376 D CB 1.999 42.773 40.800 -0.044 0.000 1.243 376 D HN -0.033 nan 8.370 nan 0.000 0.462 377 E N 0.858 121.049 120.200 -0.015 0.000 2.489 377 E HA 0.046 4.391 4.350 -0.009 0.000 0.193 377 E C -0.199 176.397 176.600 -0.007 0.000 1.057 377 E CA 0.244 56.642 56.400 -0.004 0.000 0.866 377 E CB 0.357 30.061 29.700 0.007 0.000 0.916 377 E HN 0.360 nan 8.360 nan 0.000 0.500 378 R N -1.804 118.685 120.500 -0.017 0.000 2.728 378 R HA 0.469 4.804 4.340 -0.009 0.000 0.259 378 R C -1.236 175.049 176.300 -0.025 0.000 1.057 378 R CA -0.222 55.867 56.100 -0.018 0.000 0.908 378 R CB 0.779 31.077 30.300 -0.002 0.000 1.259 378 R HN 0.088 nan 8.270 nan 0.000 0.472 379 G N 1.755 110.537 108.800 -0.030 0.000 2.416 379 G HA2 0.496 4.450 3.960 -0.009 0.000 0.329 379 G HA3 0.496 4.450 3.960 -0.009 0.000 0.329 379 G C -1.165 173.728 174.900 -0.011 0.000 1.173 379 G CA -0.393 44.689 45.100 -0.029 0.000 0.929 379 G HN 0.524 nan 8.290 nan 0.000 0.475 380 E N -0.258 119.939 120.200 -0.004 0.000 2.195 380 E HA 0.609 4.954 4.350 -0.009 0.000 0.271 380 E C -0.552 176.064 176.600 0.028 0.000 0.923 380 E CA -0.796 55.615 56.400 0.018 0.000 0.790 380 E CB 2.225 31.936 29.700 0.018 0.000 1.155 380 E HN 0.597 nan 8.360 nan 0.000 0.402 381 A N 4.027 126.884 122.820 0.062 0.000 2.457 381 A HA 0.405 4.720 4.320 -0.009 0.000 0.283 381 A C -1.095 176.581 177.584 0.153 0.000 1.166 381 A CA -0.649 51.444 52.037 0.093 0.000 0.740 381 A CB 0.397 19.443 19.000 0.077 0.000 1.181 381 A HN 0.381 nan 8.150 nan 0.000 0.446 382 I N 3.335 123.988 120.570 0.139 0.000 2.392 382 I HA 0.410 4.574 4.170 -0.009 0.000 0.295 382 I C -0.278 175.933 176.117 0.158 0.000 0.985 382 I CA -0.988 60.401 61.300 0.149 0.000 1.221 382 I CB 1.233 39.309 38.000 0.125 0.000 1.366 382 I HN 0.368 nan 8.210 nan 0.000 0.467 383 I N 6.651 127.295 120.570 0.124 0.000 2.330 383 I HA 0.349 4.514 4.170 -0.009 0.000 0.289 383 I C 0.273 176.415 176.117 0.041 0.000 1.001 383 I CA -0.540 60.790 61.300 0.050 0.000 1.193 383 I CB 1.360 39.307 38.000 -0.087 0.000 1.345 383 I HN 0.348 nan 8.210 nan 0.000 0.461 384 I N 7.335 127.924 120.570 0.033 0.000 2.291 384 I HA 0.338 4.503 4.170 -0.009 0.000 0.292 384 I C -0.089 176.031 176.117 0.005 0.000 1.064 384 I CA -0.278 61.038 61.300 0.027 0.000 1.269 384 I CB 0.687 38.687 38.000 -0.001 0.000 1.418 384 I HN 0.181 nan 8.210 nan 0.000 0.485 385 V N 4.553 124.479 119.914 0.020 0.000 3.102 385 V HA 0.723 4.838 4.120 -0.009 0.000 0.312 385 V C 0.467 176.588 176.094 0.046 0.000 1.135 385 V CA -0.707 61.609 62.300 0.026 0.000 1.022 385 V CB 2.077 33.904 31.823 0.007 0.000 1.056 385 V HN 0.787 nan 8.190 nan 0.000 0.436 386 G N -0.075 108.761 108.800 0.060 0.000 2.521 386 G HA2 0.440 4.395 3.960 -0.009 0.000 0.323 386 G HA3 0.440 4.395 3.960 -0.009 0.000 0.323 386 G C 0.585 175.520 174.900 0.059 0.000 1.211 386 G CA -0.029 45.105 45.100 0.056 0.000 0.979 386 G HN 0.827 nan 8.290 nan 0.000 0.490 387 K N -0.057 120.373 120.400 0.051 0.000 2.097 387 K HA -0.327 3.988 4.320 -0.009 0.000 0.223 387 K C 2.401 179.034 176.600 0.055 0.000 1.049 387 K CA 2.325 58.641 56.287 0.049 0.000 0.956 387 K CB -0.311 32.214 32.500 0.041 0.000 0.746 387 K HN 0.549 nan 8.250 nan 0.000 0.461 388 R N 0.353 120.891 120.500 0.062 0.000 2.154 388 R HA -0.168 4.166 4.340 -0.009 0.000 0.236 388 R C 1.925 178.273 176.300 0.081 0.000 1.121 388 R CA 2.298 58.442 56.100 0.074 0.000 0.915 388 R CB -0.431 29.925 30.300 0.093 0.000 0.856 388 R HN 0.514 nan 8.270 nan 0.000 0.431 389 D N -0.526 119.929 120.400 0.093 0.000 2.349 389 D HA -0.003 4.632 4.640 -0.009 0.000 0.214 389 D C 1.448 177.784 176.300 0.059 0.000 1.063 389 D CA -0.031 54.017 54.000 0.079 0.000 0.847 389 D CB -0.002 40.845 40.800 0.077 0.000 0.933 389 D HN 0.206 nan 8.370 nan 0.000 0.513 390 R N 1.499 122.034 120.500 0.058 0.000 2.134 390 R HA -0.217 4.118 4.340 -0.009 0.000 0.248 390 R C 1.998 178.333 176.300 0.058 0.000 1.143 390 R CA 1.470 57.605 56.100 0.060 0.000 0.957 390 R CB 0.025 30.365 30.300 0.067 0.000 0.867 390 R HN 0.038 nan 8.270 nan 0.000 0.441 391 E N 0.614 120.843 120.200 0.048 0.000 2.072 391 E HA -0.174 4.171 4.350 -0.009 0.000 0.191 391 E C 1.951 178.566 176.600 0.026 0.000 0.985 391 E CA 1.225 57.644 56.400 0.031 0.000 0.801 391 E CB -0.022 29.691 29.700 0.021 0.000 0.750 391 E HN 0.343 nan 8.360 nan 0.000 0.452 392 I N 1.417 122.012 120.570 0.042 0.000 2.226 392 I HA -0.199 3.966 4.170 -0.009 0.000 0.245 392 I C 2.683 178.872 176.117 0.121 0.000 1.100 392 I CA 1.165 62.492 61.300 0.046 0.000 1.374 392 I CB -1.917 36.126 38.000 0.072 0.000 1.057 392 I HN 0.033 nan 8.210 nan 0.000 0.413 393 A N 1.197 124.098 122.820 0.135 0.000 1.873 393 A HA -0.163 4.152 4.320 -0.009 0.000 0.218 393 A C 2.593 180.213 177.584 0.060 0.000 1.193 393 A CA 2.476 54.576 52.037 0.104 0.000 0.629 393 A CB -1.063 17.930 19.000 -0.012 0.000 0.826 393 A HN 0.247 nan 8.150 nan 0.000 0.447 394 V N -0.105 119.834 119.914 0.041 0.000 2.255 394 V HA -0.214 3.900 4.120 -0.009 0.000 0.243 394 V C 2.556 178.685 176.094 0.058 0.000 1.038 394 V CA 2.359 64.668 62.300 0.015 0.000 1.008 394 V CB -0.686 31.130 31.823 -0.012 0.000 0.645 394 V HN 0.656 nan 8.190 nan 0.000 0.449 395 K N -0.000 120.397 120.400 -0.005 0.000 2.031 395 K HA -0.155 4.160 4.320 -0.009 0.000 0.205 395 K C 2.433 179.021 176.600 -0.021 0.000 1.049 395 K CA 1.492 57.762 56.287 -0.028 0.000 0.939 395 K CB -0.103 32.361 32.500 -0.060 0.000 0.717 395 K HN 0.246 nan 8.250 nan 0.000 0.438 396 R N -1.126 119.326 120.500 -0.079 0.000 2.210 396 R HA -0.048 4.287 4.340 -0.009 0.000 0.203 396 R C 1.206 177.305 176.300 -0.335 0.000 1.010 396 R CA 0.859 56.829 56.100 -0.216 0.000 1.008 396 R CB 0.153 30.265 30.300 -0.313 0.000 0.923 396 R HN 0.198 nan 8.270 nan 0.000 0.469 397 Y N -0.279 119.962 120.300 -0.098 0.000 2.331 397 Y HA 0.121 4.666 4.550 -0.008 0.000 0.282 397 Y C 2.121 177.939 175.900 -0.137 0.000 1.140 397 Y CA 0.166 58.157 58.100 -0.182 0.000 1.198 397 Y CB -0.089 38.106 38.460 -0.442 0.000 1.159 397 Y HN -0.158 nan 8.280 nan 0.000 0.512 398 I N -0.725 119.839 120.570 -0.010 0.000 2.335 398 I HA -0.282 3.883 4.170 -0.009 0.000 0.251 398 I C 1.157 177.082 176.117 -0.320 0.000 1.129 398 I CA 2.129 63.359 61.300 -0.116 0.000 1.402 398 I CB -0.919 36.950 38.000 -0.218 0.000 1.069 398 I HN 0.203 nan 8.210 nan 0.000 0.424 399 F N -0.033 119.852 119.950 -0.108 0.000 2.706 399 F HA 0.361 4.883 4.527 -0.009 0.000 0.313 399 F C 1.614 177.372 175.800 -0.069 0.000 1.096 399 F CA -0.354 57.587 58.000 -0.099 0.000 1.219 399 F CB -0.225 38.682 39.000 -0.155 0.000 1.051 399 F HN -0.119 nan 8.300 nan 0.000 0.568 400 G N 0.219 109.057 108.800 0.064 0.000 2.621 400 G HA2 0.337 4.292 3.960 -0.009 0.000 0.271 400 G HA3 0.337 4.292 3.960 -0.009 0.000 0.271 400 G C -0.322 174.577 174.900 -0.003 0.000 1.236 400 G CA -0.342 44.755 45.100 -0.005 0.000 0.958 400 G HN 0.046 nan 8.290 nan 0.000 0.512 401 E N 0.481 120.666 120.200 -0.025 0.000 2.202 401 E HA 0.277 4.622 4.350 -0.009 0.000 0.272 401 E C -2.169 174.417 176.600 -0.024 0.000 0.951 401 E CA -1.475 54.915 56.400 -0.017 0.000 0.813 401 E CB 2.153 31.842 29.700 -0.019 0.000 1.151 401 E HN 0.312 nan 8.360 nan 0.000 0.398 402 P HA -0.026 nan 4.420 nan 0.000 0.269 402 P C -0.330 176.963 177.300 -0.011 0.000 1.209 402 P CA -0.134 62.966 63.100 -0.001 0.000 0.776 402 P CB 0.667 32.366 31.700 -0.003 0.000 0.876 403 E N 2.740 122.936 120.200 -0.005 0.000 2.418 403 E HA 0.004 4.349 4.350 -0.009 0.000 0.261 403 E C 0.366 176.968 176.600 0.004 0.000 1.070 403 E CA -0.346 56.050 56.400 -0.007 0.000 0.931 403 E CB 0.562 30.261 29.700 -0.001 0.000 0.954 403 E HN 0.467 nan 8.360 nan 0.000 0.439 404 R N 1.856 122.356 120.500 0.001 0.000 2.537 404 R HA 0.133 4.467 4.340 -0.009 0.000 0.280 404 R C -0.036 176.284 176.300 0.033 0.000 1.058 404 R CA -0.347 55.758 56.100 0.010 0.000 1.057 404 R CB 0.157 30.454 30.300 -0.005 0.000 0.973 404 R HN 0.541 nan 8.270 nan 0.000 0.438 405 I N 4.533 125.138 120.570 0.059 0.000 2.578 405 I HA -0.007 4.158 4.170 -0.009 0.000 0.286 405 I C -0.070 176.128 176.117 0.135 0.000 1.126 405 I CA 0.710 62.067 61.300 0.095 0.000 1.380 405 I CB 0.878 38.937 38.000 0.098 0.000 1.408 405 I HN 0.634 nan 8.210 nan 0.000 0.532 406 T N 4.964 119.579 114.554 0.101 0.000 2.797 406 T HA 0.178 4.523 4.350 -0.009 0.000 0.279 406 T C 0.096 174.865 174.700 0.116 0.000 0.991 406 T CA -0.542 61.602 62.100 0.072 0.000 0.979 406 T CB 1.532 70.418 68.868 0.030 0.000 0.943 406 T HN 0.595 nan 8.240 nan 0.000 0.444 407 S N 1.532 117.292 115.700 0.099 0.000 2.573 407 S HA 0.179 4.644 4.470 -0.009 0.000 0.277 407 S C 0.633 175.349 174.600 0.193 0.000 1.346 407 S CA -0.070 58.233 58.200 0.172 0.000 1.034 407 S CB 0.357 63.626 63.200 0.114 0.000 0.879 407 S HN 0.624 nan 8.310 nan 0.000 0.528 408 K N 2.686 123.199 120.400 0.188 0.000 2.483 408 K HA 0.325 4.640 4.320 -0.009 0.000 0.206 408 K C 0.936 177.638 176.600 0.171 0.000 1.086 408 K CA -0.137 56.258 56.287 0.179 0.000 1.052 408 K CB 0.086 32.669 32.500 0.138 0.000 0.904 408 K HN 0.514 nan 8.250 nan 0.000 0.557 409 L N 0.349 121.657 121.223 0.141 0.000 2.265 409 L HA 0.039 4.373 4.340 -0.009 0.000 0.215 409 L C 1.161 177.955 176.870 -0.127 0.000 1.117 409 L CA 1.384 56.254 54.840 0.049 0.000 0.782 409 L CB -0.312 41.795 42.059 0.079 0.000 0.914 409 L HN 0.232 nan 8.230 nan 0.000 0.441 410 G N 0.204 108.798 108.800 -0.343 0.000 3.180 410 G HA2 0.348 4.303 3.960 -0.009 0.000 0.252 410 G HA3 0.348 4.303 3.960 -0.009 0.000 0.252 410 G C -0.551 174.260 174.900 -0.148 0.000 0.871 410 G CA -0.008 44.779 45.100 -0.521 0.000 1.979 410 G HN 0.115 nan 8.290 nan 0.000 0.624 411 V N -0.232 119.643 119.914 -0.065 0.000 2.876 411 V HA 0.267 4.382 4.120 -0.009 0.000 0.312 411 V C 0.958 177.014 176.094 -0.062 0.000 1.085 411 V CA -0.870 61.410 62.300 -0.033 0.000 0.945 411 V CB 2.147 33.972 31.823 0.003 0.000 1.017 411 V HN 0.322 nan 8.190 nan 0.000 0.428 412 E N 1.730 121.880 120.200 -0.084 0.000 2.035 412 E HA -0.261 4.084 4.350 -0.009 0.000 0.204 412 E C 2.189 178.749 176.600 -0.067 0.000 1.025 412 E CA 2.463 58.804 56.400 -0.098 0.000 0.835 412 E CB -0.339 29.303 29.700 -0.096 0.000 0.764 412 E HN 1.060 nan 8.360 nan 0.000 0.457 413 T N -1.104 113.400 114.554 -0.085 0.000 2.570 413 T HA -0.267 4.078 4.350 -0.009 0.000 0.266 413 T C 1.853 176.575 174.700 0.037 0.000 1.071 413 T CA 2.146 64.204 62.100 -0.070 0.000 1.172 413 T CB -1.060 67.690 68.868 -0.197 0.000 0.864 413 T HN 0.358 nan 8.240 nan 0.000 0.421 414 H N 1.070 120.193 119.070 0.089 0.000 2.387 414 H HA 0.112 4.663 4.556 -0.009 0.000 0.299 414 H C 2.416 177.913 175.328 0.282 0.000 1.099 414 H CA 1.297 57.472 56.048 0.211 0.000 1.315 414 H CB -0.240 29.642 29.762 0.198 0.000 1.380 414 H HN 0.232 nan 8.280 nan 0.000 0.513 415 L N 0.088 121.440 121.223 0.216 0.000 2.027 415 L HA -0.176 4.159 4.340 -0.009 0.000 0.206 415 L C 2.722 179.648 176.870 0.094 0.000 1.074 415 L CA 1.188 56.071 54.840 0.071 0.000 0.745 415 L CB -0.356 41.583 42.059 -0.201 0.000 0.898 415 L HN 0.228 nan 8.230 nan 0.000 0.433 416 R N -0.010 120.515 120.500 0.043 0.000 2.080 416 R HA -0.249 4.086 4.340 -0.009 0.000 0.236 416 R C 2.430 178.766 176.300 0.060 0.000 1.137 416 R CA 1.969 58.079 56.100 0.017 0.000 0.943 416 R CB -0.499 29.804 30.300 0.004 0.000 0.846 416 R HN 0.199 nan 8.270 nan 0.000 0.431 417 F N 0.754 120.689 119.950 -0.025 0.000 2.120 417 F HA -0.296 4.226 4.527 -0.008 0.000 0.300 417 F C 2.170 177.847 175.800 -0.206 0.000 1.095 417 F CA 1.909 59.827 58.000 -0.136 0.000 1.249 417 F CB -0.120 38.747 39.000 -0.222 0.000 0.995 417 F HN 0.188 nan 8.300 nan 0.000 0.480 418 H N -1.027 118.078 119.070 0.058 0.000 2.415 418 H HA 0.018 4.569 4.556 -0.009 0.000 0.297 418 H C 2.491 177.763 175.328 -0.094 0.000 1.048 418 H CA 1.231 57.248 56.048 -0.051 0.000 1.365 418 H CB -0.482 29.387 29.762 0.178 0.000 1.421 418 H HN 0.261 nan 8.280 nan 0.000 0.533 419 S N 1.464 117.251 115.700 0.145 0.000 2.359 419 S HA -0.157 4.307 4.470 -0.009 0.000 0.223 419 S C 2.287 176.845 174.600 -0.070 0.000 1.039 419 S CA 1.171 59.413 58.200 0.072 0.000 1.042 419 S CB -0.541 62.691 63.200 0.053 0.000 0.915 419 S HN 0.164 nan 8.310 nan 0.000 0.439 420 L N 2.000 123.155 121.223 -0.114 0.000 2.021 420 L HA -0.148 4.186 4.340 -0.009 0.000 0.215 420 L C 2.479 179.254 176.870 -0.157 0.000 1.074 420 L CA 2.301 57.061 54.840 -0.133 0.000 0.760 420 L CB -1.340 40.627 42.059 -0.153 0.000 0.889 420 L HN 0.344 nan 8.230 nan 0.000 0.433 421 S N -0.753 114.803 115.700 -0.240 0.000 2.359 421 S HA -0.211 4.254 4.470 -0.009 0.000 0.224 421 S C 2.082 176.593 174.600 -0.148 0.000 1.035 421 S CA 1.837 59.913 58.200 -0.207 0.000 1.018 421 S CB -0.522 62.515 63.200 -0.271 0.000 0.876 421 S HN 0.493 nan 8.310 nan 0.000 0.448 422 I N 1.012 121.444 120.570 -0.229 0.000 2.208 422 I HA -0.170 3.995 4.170 -0.009 0.000 0.245 422 I C 2.021 178.069 176.117 -0.114 0.000 1.097 422 I CA 0.867 61.974 61.300 -0.321 0.000 1.363 422 I CB -0.374 37.227 38.000 -0.666 0.000 1.051 422 I HN 0.320 nan 8.210 nan 0.000 0.413 423 I N 0.201 120.711 120.570 -0.099 0.000 2.315 423 I HA -0.238 3.926 4.170 -0.009 0.000 0.248 423 I C 2.534 178.629 176.117 -0.037 0.000 1.117 423 I CA 1.026 62.292 61.300 -0.056 0.000 1.404 423 I CB -1.165 36.806 38.000 -0.048 0.000 1.071 423 I HN 0.310 nan 8.210 nan 0.000 0.419 424 C N 0.567 119.845 119.300 -0.037 0.000 2.457 424 C HA -0.094 4.361 4.460 -0.009 0.000 0.278 424 C C 2.113 177.100 174.990 -0.004 0.000 1.309 424 C CA 0.501 59.506 59.018 -0.021 0.000 1.735 424 C CB -0.911 26.814 27.740 -0.026 0.000 1.992 424 C HN 0.466 nan 8.230 nan 0.000 0.493 425 D N -0.214 120.206 120.400 0.034 0.000 2.363 425 D HA 0.175 4.810 4.640 -0.009 0.000 0.220 425 D C 1.833 178.111 176.300 -0.036 0.000 0.994 425 D CA 1.256 55.302 54.000 0.075 0.000 0.890 425 D CB -0.323 40.636 40.800 0.265 0.000 0.906 425 D HN 0.597 nan 8.370 nan 0.000 0.530 426 G N -0.106 108.667 108.800 -0.046 0.000 2.194 426 G HA2 -0.369 3.586 3.960 -0.009 0.000 0.236 426 G HA3 -0.369 3.586 3.960 -0.009 0.000 0.236 426 G C 0.891 175.686 174.900 -0.174 0.000 0.987 426 G CA 0.162 45.173 45.100 -0.147 0.000 0.635 426 G HN 0.328 nan 8.290 nan 0.000 0.520 427 Y N 0.918 121.166 120.300 -0.088 0.000 2.274 427 Y HA 0.395 4.940 4.550 -0.008 0.000 0.290 427 Y C 2.129 178.006 175.900 -0.039 0.000 1.145 427 Y CA 1.641 59.716 58.100 -0.041 0.000 1.203 427 Y CB -0.122 38.293 38.460 -0.075 0.000 0.984 427 Y HN 0.658 nan 8.280 nan 0.000 0.533 428 A N -0.386 122.463 122.820 0.048 0.000 2.346 428 A HA 0.708 5.023 4.320 -0.009 0.000 0.313 428 A C 0.466 178.022 177.584 -0.047 0.000 1.140 428 A CA -0.544 51.502 52.037 0.015 0.000 0.826 428 A CB 1.608 20.611 19.000 0.005 0.000 1.332 428 A HN 0.183 nan 8.150 nan 0.000 0.457 429 K N -0.927 119.439 120.400 -0.058 0.000 2.598 429 K HA 0.150 4.465 4.320 -0.009 0.000 0.185 429 K C -0.805 175.761 176.600 -0.056 0.000 1.458 429 K CA 0.853 57.056 56.287 -0.140 0.000 1.079 429 K CB 0.643 32.976 32.500 -0.279 0.000 1.253 429 K HN 1.048 nan 8.250 nan 0.000 0.592 430 T N -2.663 111.888 114.554 -0.005 0.000 2.957 430 T HA 0.173 4.518 4.350 -0.009 0.000 0.336 430 T C 0.314 175.027 174.700 0.023 0.000 1.462 430 T CA -0.808 61.307 62.100 0.025 0.000 1.073 430 T CB 1.209 70.094 68.868 0.029 0.000 1.319 430 T HN -0.021 nan 8.240 nan 0.000 0.485 431 L N 1.000 122.233 121.223 0.017 0.000 2.351 431 L HA -0.017 4.318 4.340 -0.009 0.000 0.220 431 L C 2.428 179.314 176.870 0.026 0.000 1.127 431 L CA 1.875 56.721 54.840 0.010 0.000 0.786 431 L CB -0.308 41.747 42.059 -0.007 0.000 0.914 431 L HN 0.919 nan 8.230 nan 0.000 0.443 432 E N -0.603 119.615 120.200 0.030 0.000 2.033 432 E HA -0.203 4.142 4.350 -0.009 0.000 0.189 432 E C 1.912 178.542 176.600 0.051 0.000 0.979 432 E CA 1.170 57.591 56.400 0.034 0.000 0.802 432 E CB 0.012 29.728 29.700 0.027 0.000 0.763 432 E HN 0.613 nan 8.360 nan 0.000 0.449 433 E N 0.447 120.680 120.200 0.055 0.000 2.152 433 E HA -0.167 4.178 4.350 -0.009 0.000 0.192 433 E C 2.075 178.757 176.600 0.137 0.000 0.983 433 E CA 0.344 56.792 56.400 0.081 0.000 0.818 433 E CB 0.005 29.742 29.700 0.062 0.000 0.758 433 E HN 0.148 nan 8.360 nan 0.000 0.467 434 L N 1.724 123.021 121.223 0.123 0.000 2.079 434 L HA -0.204 4.131 4.340 -0.009 0.000 0.210 434 L C 1.743 178.798 176.870 0.308 0.000 1.081 434 L CA 1.824 56.778 54.840 0.190 0.000 0.752 434 L CB -0.156 41.976 42.059 0.123 0.000 0.896 434 L HN 0.061 nan 8.230 nan 0.000 0.433 435 E N -1.080 119.230 120.200 0.182 0.000 2.158 435 E HA -0.155 4.189 4.350 -0.009 0.000 0.191 435 E C 1.639 178.297 176.600 0.096 0.000 0.982 435 E CA 0.915 57.404 56.400 0.148 0.000 0.823 435 E CB -0.122 29.604 29.700 0.043 0.000 0.766 435 E HN 0.524 nan 8.360 nan 0.000 0.468 436 D N 0.778 121.226 120.400 0.080 0.000 2.117 436 D HA -0.158 4.477 4.640 -0.009 0.000 0.197 436 D C 1.616 177.932 176.300 0.026 0.000 0.987 436 D CA 0.749 54.763 54.000 0.023 0.000 0.829 436 D CB -0.355 40.471 40.800 0.044 0.000 0.961 436 D HN 0.076 nan 8.370 nan 0.000 0.460 437 F N 0.482 120.424 119.950 -0.013 0.000 2.069 437 F HA -0.201 4.321 4.527 -0.009 0.000 0.298 437 F C 1.926 177.622 175.800 -0.173 0.000 1.113 437 F CA 1.344 59.284 58.000 -0.099 0.000 1.214 437 F CB -0.386 38.521 39.000 -0.155 0.000 0.978 437 F HN -0.151 nan 8.300 nan 0.000 0.474 438 F N 0.066 120.115 119.950 0.166 0.000 2.722 438 F HA -0.010 4.512 4.527 -0.009 0.000 0.298 438 F C 2.191 177.945 175.800 -0.078 0.000 1.175 438 F CA 0.615 58.662 58.000 0.078 0.000 1.462 438 F CB -0.793 38.250 39.000 0.071 0.000 1.111 438 F HN 0.071 nan 8.300 nan 0.000 0.592 439 A N -0.690 122.056 122.820 -0.122 0.000 2.072 439 A HA -0.057 4.258 4.320 -0.009 0.000 0.216 439 A C 1.422 179.023 177.584 0.028 0.000 1.156 439 A CA 1.094 52.879 52.037 -0.419 0.000 0.701 439 A CB -0.283 18.442 19.000 -0.458 0.000 0.816 439 A HN 0.157 nan 8.150 nan 0.000 0.458 440 D N 0.209 120.611 120.400 0.003 0.000 2.328 440 D HA 0.101 4.736 4.640 -0.009 0.000 0.221 440 D C 0.268 176.798 176.300 0.384 0.000 1.072 440 D CA 0.352 54.426 54.000 0.124 0.000 0.850 440 D CB -0.111 40.623 40.800 -0.109 0.000 0.922 440 D HN 0.254 nan 8.370 nan 0.000 0.516 441 T N 0.047 114.785 114.554 0.305 0.000 2.813 441 T HA 0.032 4.377 4.350 -0.009 0.000 0.297 441 T C 0.713 175.471 174.700 0.098 0.000 1.036 441 T CA -0.498 61.786 62.100 0.307 0.000 1.044 441 T CB 0.792 69.834 68.868 0.289 0.000 0.993 441 T HN -0.039 nan 8.240 nan 0.000 0.535 442 F N 0.668 120.250 119.950 -0.613 0.000 2.811 442 F HA 0.242 4.764 4.527 -0.008 0.000 0.301 442 F C 1.225 176.786 175.800 -0.398 0.000 1.151 442 F CA -0.610 56.694 58.000 -1.159 0.000 1.412 442 F CB -0.435 37.617 39.000 -1.579 0.000 1.113 442 F HN 0.605 nan 8.300 nan 0.000 0.579 443 F N -1.117 118.673 119.950 -0.267 0.000 2.374 443 F HA 0.021 4.543 4.527 -0.009 0.000 0.291 443 F C 1.875 177.622 175.800 -0.089 0.000 1.084 443 F CA 0.855 58.752 58.000 -0.171 0.000 1.413 443 F CB -0.619 38.396 39.000 0.025 0.000 1.099 443 F HN -0.036 nan 8.300 nan 0.000 0.534 444 F N 1.830 121.771 119.950 -0.015 0.000 2.098 444 F HA -0.036 4.486 4.527 -0.009 0.000 0.294 444 F C 2.308 177.996 175.800 -0.187 0.000 1.107 444 F CA 1.763 59.738 58.000 -0.042 0.000 1.234 444 F CB -0.783 38.286 39.000 0.115 0.000 1.002 444 F HN -0.126 nan 8.300 nan 0.000 0.472 445 K N 0.208 120.515 120.400 -0.154 0.000 2.589 445 K HA -0.156 4.159 4.320 -0.009 0.000 0.195 445 K C 1.607 177.942 176.600 -0.442 0.000 1.040 445 K CA 0.987 57.124 56.287 -0.249 0.000 0.950 445 K CB -0.213 32.289 32.500 0.004 0.000 0.781 445 K HN 0.471 nan 8.250 nan 0.000 0.486 446 Q N -1.473 117.970 119.800 -0.595 0.000 2.211 446 Q HA 0.146 4.481 4.340 -0.009 0.000 0.242 446 Q C 0.069 175.734 176.000 -0.558 0.000 0.825 446 Q CA 0.201 55.627 55.803 -0.628 0.000 0.951 446 Q CB 0.684 28.907 28.738 -0.859 0.000 1.130 446 Q HN 0.329 nan 8.270 nan 0.000 0.496 447 N N -0.703 117.629 118.700 -0.614 0.000 2.067 447 N HA 0.050 4.785 4.740 -0.009 0.000 0.227 447 N C -0.733 174.523 175.510 -0.424 0.000 1.348 447 N CA -0.008 52.732 53.050 -0.516 0.000 0.879 447 N CB 0.904 38.985 38.487 -0.677 0.000 1.109 447 N HN -0.014 nan 8.380 nan 0.000 0.501 448 E N 0.162 119.961 120.200 -0.669 0.000 2.885 448 E HA -0.214 4.131 4.350 -0.009 0.000 0.267 448 E C -0.524 175.988 176.600 -0.145 0.000 1.100 448 E CA 0.493 56.424 56.400 -0.782 0.000 0.779 448 E CB -0.555 28.868 29.700 -0.462 0.000 1.383 448 E HN 0.309 nan 8.360 nan 0.000 0.443 449 I N -0.043 120.558 120.570 0.052 0.000 2.823 449 I HA 0.134 4.298 4.170 -0.009 0.000 0.290 449 I C 0.983 177.362 176.117 0.436 0.000 1.091 449 I CA 0.199 61.636 61.300 0.228 0.000 1.365 449 I CB 1.417 39.547 38.000 0.216 0.000 1.427 449 I HN -0.018 nan 8.210 nan 0.000 0.583 450 S N 3.965 119.830 115.700 0.276 0.000 2.565 450 S HA 0.569 5.034 4.470 -0.009 0.000 0.290 450 S C 0.262 174.955 174.600 0.155 0.000 1.150 450 S CA -0.563 57.758 58.200 0.202 0.000 1.058 450 S CB 0.770 64.049 63.200 0.132 0.000 1.032 450 S HN 0.475 nan 8.310 nan 0.000 0.510 451 L N 3.619 124.890 121.223 0.080 0.000 3.066 451 L HA 0.228 4.563 4.340 -0.009 0.000 0.265 451 L C 1.606 178.456 176.870 -0.034 0.000 1.232 451 L CA -0.108 54.734 54.840 0.002 0.000 1.031 451 L CB 0.272 42.255 42.059 -0.126 0.000 1.379 451 L HN 0.590 nan 8.230 nan 0.000 0.563 452 S N -0.103 115.607 115.700 0.017 0.000 2.370 452 S HA -0.267 4.198 4.470 -0.009 0.000 0.226 452 S C 1.732 176.340 174.600 0.013 0.000 1.033 452 S CA 1.659 59.864 58.200 0.008 0.000 1.011 452 S CB -0.292 62.930 63.200 0.036 0.000 0.852 452 S HN 0.572 nan 8.310 nan 0.000 0.457 453 Y N 3.250 123.516 120.300 -0.056 0.000 2.049 453 Y HA -0.266 4.279 4.550 -0.009 0.000 0.277 453 Y C 2.653 178.498 175.900 -0.091 0.000 1.143 453 Y CA 2.102 60.164 58.100 -0.063 0.000 1.115 453 Y CB -0.290 38.141 38.460 -0.049 0.000 0.975 453 Y HN 0.250 nan 8.280 nan 0.000 0.487 454 E N 0.175 120.209 120.200 -0.276 0.000 2.072 454 E HA -0.204 4.141 4.350 -0.009 0.000 0.191 454 E C 2.146 178.538 176.600 -0.347 0.000 0.985 454 E CA 1.148 57.305 56.400 -0.405 0.000 0.801 454 E CB -0.942 28.631 29.700 -0.212 0.000 0.750 454 E HN 0.462 nan 8.360 nan 0.000 0.452 455 L N 1.800 122.855 121.223 -0.281 0.000 2.079 455 L HA -0.143 4.192 4.340 -0.009 0.000 0.210 455 L C 2.465 179.205 176.870 -0.217 0.000 1.081 455 L CA 1.641 56.319 54.840 -0.270 0.000 0.752 455 L CB -0.585 41.331 42.059 -0.240 0.000 0.896 455 L HN 0.152 nan 8.230 nan 0.000 0.433 456 E N -0.614 119.461 120.200 -0.208 0.000 2.158 456 E HA -0.189 4.156 4.350 -0.009 0.000 0.191 456 E C 2.330 178.784 176.600 -0.244 0.000 0.982 456 E CA 0.500 56.792 56.400 -0.180 0.000 0.823 456 E CB 0.179 29.800 29.700 -0.131 0.000 0.766 456 E HN 0.418 nan 8.360 nan 0.000 0.468 457 R N 0.130 120.420 120.500 -0.351 0.000 2.061 457 R HA -0.084 4.251 4.340 -0.009 0.000 0.230 457 R C 2.483 178.580 176.300 -0.338 0.000 1.140 457 R CA 1.443 57.305 56.100 -0.396 0.000 0.940 457 R CB -0.418 29.537 30.300 -0.575 0.000 0.839 457 R HN 0.006 nan 8.270 nan 0.000 0.429 458 V N 0.500 120.223 119.914 -0.318 0.000 2.250 458 V HA -0.294 3.821 4.120 -0.009 0.000 0.250 458 V C 2.361 178.294 176.094 -0.268 0.000 1.060 458 V CA 2.070 64.201 62.300 -0.281 0.000 1.030 458 V CB -0.275 31.409 31.823 -0.232 0.000 0.643 458 V HN 0.275 nan 8.190 nan 0.000 0.445 459 V N -0.424 119.358 119.914 -0.219 0.000 2.407 459 V HA -0.272 3.843 4.120 -0.009 0.000 0.248 459 V C 2.500 178.464 176.094 -0.215 0.000 1.055 459 V CA 2.152 64.344 62.300 -0.181 0.000 1.049 459 V CB -0.836 30.910 31.823 -0.128 0.000 0.662 459 V HN 0.498 nan 8.190 nan 0.000 0.455 460 R N -0.380 119.974 120.500 -0.242 0.000 2.092 460 R HA -0.206 4.128 4.340 -0.009 0.000 0.231 460 R C 2.390 178.470 176.300 -0.368 0.000 1.119 460 R CA 1.551 57.499 56.100 -0.253 0.000 0.970 460 R CB -0.334 29.826 30.300 -0.234 0.000 0.864 460 R HN 0.466 nan 8.270 nan 0.000 0.440 461 Q N 1.125 120.634 119.800 -0.484 0.000 2.002 461 Q HA -0.162 4.172 4.340 -0.009 0.000 0.204 461 Q C 1.791 177.261 176.000 -0.883 0.000 0.988 461 Q CA 1.687 56.994 55.803 -0.827 0.000 0.843 461 Q CB -0.311 27.891 28.738 -0.893 0.000 0.908 461 Q HN 0.152 nan 8.270 nan 0.000 0.420 462 L N 1.153 122.063 121.223 -0.521 0.000 2.187 462 L HA -0.158 4.176 4.340 -0.009 0.000 0.213 462 L C 2.195 178.958 176.870 -0.178 0.000 1.100 462 L CA 1.704 56.397 54.840 -0.246 0.000 0.765 462 L CB -0.739 41.243 42.059 -0.129 0.000 0.904 462 L HN 0.322 nan 8.230 nan 0.000 0.437 463 E N -0.467 119.597 120.200 -0.227 0.000 2.047 463 E HA -0.171 4.174 4.350 -0.009 0.000 0.191 463 E C 1.879 178.395 176.600 -0.139 0.000 0.987 463 E CA 1.256 57.567 56.400 -0.150 0.000 0.799 463 E CB -0.244 29.368 29.700 -0.148 0.000 0.752 463 E HN 0.684 nan 8.360 nan 0.000 0.449 464 N N 0.235 118.789 118.700 -0.243 0.000 2.058 464 N HA -0.150 4.585 4.740 -0.009 0.000 0.191 464 N C 1.466 176.950 175.510 -0.043 0.000 1.037 464 N CA 0.822 53.763 53.050 -0.181 0.000 0.848 464 N CB -0.133 38.165 38.487 -0.315 0.000 1.021 464 N HN 0.212 nan 8.380 nan 0.000 0.422 465 W N 0.961 122.034 121.300 -0.377 0.000 2.747 465 W HA 0.122 4.777 4.660 -0.009 0.000 0.244 465 W C 1.329 177.783 176.519 -0.108 0.000 1.270 465 W CA 0.812 57.896 57.345 -0.435 0.000 1.333 465 W CB -1.506 27.613 29.460 -0.568 0.000 1.139 465 W HN 0.184 nan 8.180 nan 0.000 0.662 466 G N 0.495 109.351 108.800 0.092 0.000 2.249 466 G HA2 -0.333 3.622 3.960 -0.009 0.000 0.273 466 G HA3 -0.333 3.622 3.960 -0.009 0.000 0.273 466 G C 0.940 175.852 174.900 0.020 0.000 1.036 466 G CA 0.638 45.759 45.100 0.036 0.000 0.824 466 G HN 0.245 nan 8.290 nan 0.000 0.504 467 M N -1.439 118.187 119.600 0.042 0.000 2.516 467 M HA 0.242 4.717 4.480 -0.009 0.000 0.259 467 M C 0.537 176.841 176.300 0.006 0.000 1.146 467 M CA 0.861 56.180 55.300 0.032 0.000 1.122 467 M CB 0.427 33.066 32.600 0.064 0.000 1.341 467 M HN 0.099 nan 8.290 nan 0.000 0.478 468 V N 1.505 121.414 119.914 -0.009 0.000 2.760 468 V HA 0.536 4.651 4.120 -0.009 0.000 0.309 468 V C -0.425 175.658 176.094 -0.019 0.000 1.077 468 V CA -1.200 61.090 62.300 -0.016 0.000 0.910 468 V CB 2.358 34.160 31.823 -0.034 0.000 1.008 468 V HN 0.118 nan 8.190 nan 0.000 0.424 469 V N 0.069 119.980 119.914 -0.006 0.000 2.769 469 V HA 0.756 4.871 4.120 -0.009 0.000 0.312 469 V C -0.528 175.562 176.094 -0.007 0.000 1.061 469 V CA -0.597 61.697 62.300 -0.011 0.000 0.931 469 V CB 2.275 34.093 31.823 -0.008 0.000 1.010 469 V HN 0.817 nan 8.190 nan 0.000 0.433 470 E N 1.829 122.016 120.200 -0.022 0.000 2.173 470 E HA 0.614 4.959 4.350 -0.009 0.000 0.249 470 E C 0.508 177.076 176.600 -0.053 0.000 0.923 470 E CA 0.121 56.506 56.400 -0.025 0.000 0.754 470 E CB 1.396 31.081 29.700 -0.026 0.000 1.177 470 E HN 0.944 nan 8.360 nan 0.000 0.430 471 A N 2.407 125.170 122.820 -0.095 0.000 1.887 471 A HA 0.307 4.621 4.320 -0.009 0.000 0.212 471 A C 1.469 178.962 177.584 -0.152 0.000 1.198 471 A CA 1.255 53.218 52.037 -0.122 0.000 0.628 471 A CB 0.341 19.254 19.000 -0.146 0.000 0.847 471 A HN 0.505 nan 8.150 nan 0.000 0.449 472 A N -2.167 120.503 122.820 -0.250 0.000 2.377 472 A HA 0.501 4.816 4.320 -0.009 0.000 0.174 472 A C 0.366 177.879 177.584 -0.118 0.000 1.663 472 A CA 0.838 52.753 52.037 -0.202 0.000 1.219 472 A CB 0.246 19.092 19.000 -0.256 0.000 1.499 472 A HN 0.928 nan 8.150 nan 0.000 0.481 473 H N -2.511 116.551 119.070 -0.012 0.000 2.932 473 H HA 0.619 5.170 4.556 -0.009 0.000 0.307 473 H C -1.077 174.241 175.328 -0.017 0.000 1.391 473 H CA -1.318 54.722 56.048 -0.013 0.000 1.130 473 H CB -0.314 29.442 29.762 -0.009 0.000 1.836 473 H HN 0.028 nan 8.280 nan 0.000 0.522 474 L N 1.003 122.373 121.223 0.245 0.000 2.462 474 L HA 0.567 4.902 4.340 -0.009 0.000 0.272 474 L C 0.191 177.171 176.870 0.183 0.000 1.166 474 L CA 0.330 55.253 54.840 0.137 0.000 0.880 474 L CB 0.188 42.272 42.059 0.041 0.000 1.142 474 L HN 0.862 nan 8.230 nan 0.000 0.473 475 A N 6.274 129.170 122.820 0.126 0.000 2.547 475 A HA 0.788 5.103 4.320 -0.009 0.000 0.297 475 A C -2.733 174.877 177.584 0.043 0.000 1.056 475 A CA -1.223 50.876 52.037 0.104 0.000 0.688 475 A CB 2.005 21.108 19.000 0.173 0.000 1.282 475 A HN 0.426 nan 8.150 nan 0.000 0.400 476 P HA 0.361 nan 4.420 nan 0.000 0.277 476 P C 0.102 177.411 177.300 0.016 0.000 1.240 476 P CA 0.167 63.273 63.100 0.011 0.000 0.798 476 P CB 1.227 32.928 31.700 0.001 0.000 0.979 477 T N -0.799 113.762 114.554 0.013 0.000 2.881 477 T HA 0.289 4.634 4.350 -0.009 0.000 0.278 477 T C 1.282 175.995 174.700 0.021 0.000 0.982 477 T CA -0.531 61.578 62.100 0.016 0.000 0.989 477 T CB 0.678 69.553 68.868 0.011 0.000 1.058 477 T HN 0.082 nan 8.240 nan 0.000 0.529 478 K N -0.163 120.254 120.400 0.028 0.000 2.103 478 K HA -0.001 4.314 4.320 -0.009 0.000 0.207 478 K C 1.873 178.497 176.600 0.040 0.000 1.048 478 K CA 0.954 57.261 56.287 0.035 0.000 0.930 478 K CB -0.852 31.673 32.500 0.041 0.000 0.716 478 K HN 0.489 nan 8.250 nan 0.000 0.444 479 L N 0.277 121.523 121.223 0.039 0.000 2.017 479 L HA -0.030 4.304 4.340 -0.009 0.000 0.208 479 L C 2.014 178.906 176.870 0.037 0.000 1.073 479 L CA 2.309 57.175 54.840 0.043 0.000 0.745 479 L CB -1.200 40.855 42.059 -0.006 0.000 0.894 479 L HN 0.232 nan 8.230 nan 0.000 0.432 480 G N -1.398 107.416 108.800 0.023 0.000 2.421 480 G HA2 -0.256 3.699 3.960 -0.009 0.000 0.216 480 G HA3 -0.256 3.699 3.960 -0.009 0.000 0.216 480 G C 1.522 176.428 174.900 0.010 0.000 1.171 480 G CA 0.939 46.048 45.100 0.016 0.000 0.775 480 G HN 0.510 nan 8.290 nan 0.000 0.543 481 S N 0.462 116.171 115.700 0.015 0.000 2.383 481 S HA -0.123 4.342 4.470 -0.009 0.000 0.229 481 S C 2.138 176.757 174.600 0.031 0.000 1.030 481 S CA 1.206 59.416 58.200 0.016 0.000 1.002 481 S CB -0.275 62.937 63.200 0.020 0.000 0.829 481 S HN 0.270 nan 8.310 nan 0.000 0.467 482 L N 1.934 123.182 121.223 0.042 0.000 2.056 482 L HA 0.047 4.382 4.340 -0.009 0.000 0.207 482 L C 2.165 179.076 176.870 0.069 0.000 1.078 482 L CA 1.501 56.376 54.840 0.059 0.000 0.749 482 L CB -0.703 41.394 42.059 0.064 0.000 0.901 482 L HN 0.126 nan 8.230 nan 0.000 0.433 483 V N -0.978 118.971 119.914 0.057 0.000 2.490 483 V HA -0.235 3.880 4.120 -0.009 0.000 0.250 483 V C 2.749 178.865 176.094 0.037 0.000 1.061 483 V CA 1.734 64.068 62.300 0.058 0.000 1.064 483 V CB -0.599 31.251 31.823 0.045 0.000 0.670 483 V HN 0.631 nan 8.190 nan 0.000 0.461 484 S N -0.486 115.213 115.700 -0.002 0.000 2.357 484 S HA -0.151 4.314 4.470 -0.009 0.000 0.221 484 S C 2.199 176.833 174.600 0.056 0.000 1.031 484 S CA 1.153 59.321 58.200 -0.053 0.000 0.982 484 S CB -0.222 62.930 63.200 -0.079 0.000 0.853 484 S HN 0.501 nan 8.310 nan 0.000 0.458 485 R N -0.118 120.433 120.500 0.085 0.000 2.120 485 R HA 0.001 4.336 4.340 -0.009 0.000 0.234 485 R C 1.680 178.102 176.300 0.204 0.000 1.123 485 R CA 1.027 57.204 56.100 0.129 0.000 0.975 485 R CB -0.310 30.046 30.300 0.093 0.000 0.866 485 R HN 0.322 nan 8.270 nan 0.000 0.446 486 L N -0.580 120.768 121.223 0.207 0.000 2.552 486 L HA -0.038 4.297 4.340 -0.009 0.000 0.227 486 L C -0.091 177.073 176.870 0.490 0.000 1.146 486 L CA 0.670 55.680 54.840 0.284 0.000 0.858 486 L CB -0.740 41.431 42.059 0.187 0.000 0.969 486 L HN 0.227 nan 8.230 nan 0.000 0.451 487 Y N -0.320 120.152 120.300 0.286 0.000 3.305 487 Y HA -0.272 4.273 4.550 -0.009 0.000 0.212 487 Y C 0.402 176.676 175.900 0.623 0.000 1.248 487 Y CA 0.514 58.862 58.100 0.413 0.000 1.359 487 Y CB -1.148 37.536 38.460 0.374 0.000 1.407 487 Y HN 0.260 nan 8.280 nan 0.000 0.572 488 I N -2.799 118.023 120.570 0.421 0.000 2.750 488 I HA 0.489 4.654 4.170 -0.009 0.000 0.308 488 I C 0.345 176.644 176.117 0.304 0.000 1.016 488 I CA -1.211 60.280 61.300 0.318 0.000 1.098 488 I CB 1.428 39.434 38.000 0.010 0.000 1.279 488 I HN -0.027 nan 8.210 nan 0.000 0.454 489 D N 5.243 125.763 120.400 0.200 0.000 2.458 489 D HA 0.089 4.724 4.640 -0.009 0.000 0.243 489 D C -1.543 174.825 176.300 0.112 0.000 1.146 489 D CA -1.719 52.408 54.000 0.211 0.000 0.877 489 D CB 1.436 42.270 40.800 0.057 0.000 1.176 489 D HN 0.371 nan 8.370 nan 0.000 0.461 490 P HA -0.197 nan 4.420 nan 0.000 0.217 490 P C 1.640 178.918 177.300 -0.037 0.000 1.148 490 P CA 0.597 63.772 63.100 0.124 0.000 0.828 490 P CB 0.271 32.115 31.700 0.240 0.000 0.783 491 L N -0.324 120.853 121.223 -0.077 0.000 2.093 491 L HA -0.063 4.271 4.340 -0.009 0.000 0.208 491 L C 2.231 178.885 176.870 -0.359 0.000 1.085 491 L CA 2.131 56.733 54.840 -0.397 0.000 0.755 491 L CB -1.676 40.292 42.059 -0.151 0.000 0.904 491 L HN -0.109 nan 8.230 nan 0.000 0.435 492 T N -0.362 114.023 114.554 -0.282 0.000 2.652 492 T HA -0.143 4.202 4.350 -0.009 0.000 0.267 492 T C 1.648 175.999 174.700 -0.582 0.000 1.039 492 T CA 1.515 63.332 62.100 -0.471 0.000 1.153 492 T CB -0.933 67.704 68.868 -0.385 0.000 0.863 492 T HN 0.598 nan 8.240 nan 0.000 0.428 493 G N 0.010 108.646 108.800 -0.272 0.000 2.448 493 G HA2 -0.146 3.808 3.960 -0.009 0.000 0.219 493 G HA3 -0.146 3.808 3.960 -0.009 0.000 0.219 493 G C 1.327 176.181 174.900 -0.077 0.000 1.127 493 G CA 0.260 45.307 45.100 -0.089 0.000 0.766 493 G HN 0.467 nan 8.290 nan 0.000 0.552 494 F N 1.221 120.939 119.950 -0.387 0.000 2.187 494 F HA 0.117 4.639 4.527 -0.009 0.000 0.295 494 F C 2.387 177.990 175.800 -0.329 0.000 1.091 494 F CA 0.266 57.988 58.000 -0.464 0.000 1.308 494 F CB -0.029 38.295 39.000 -1.127 0.000 1.030 494 F HN -0.031 nan 8.300 nan 0.000 0.487 495 I N -0.028 120.254 120.570 -0.480 0.000 2.151 495 I HA -0.324 3.841 4.170 -0.009 0.000 0.243 495 I C 2.441 178.411 176.117 -0.244 0.000 1.080 495 I CA 1.496 62.546 61.300 -0.416 0.000 1.339 495 I CB -1.511 36.265 38.000 -0.373 0.000 1.039 495 I HN 0.073 nan 8.210 nan 0.000 0.409 496 F N 0.887 120.716 119.950 -0.202 0.000 2.026 496 F HA -0.247 4.275 4.527 -0.009 0.000 0.296 496 F C 2.846 178.544 175.800 -0.170 0.000 1.133 496 F CA 1.884 59.793 58.000 -0.151 0.000 1.188 496 F CB -1.762 37.172 39.000 -0.110 0.000 0.968 496 F HN 0.235 nan 8.300 nan 0.000 0.476 497 H N -0.668 118.385 119.070 -0.027 0.000 2.357 497 H HA -0.212 4.339 4.556 -0.009 0.000 0.296 497 H C 1.986 177.185 175.328 -0.214 0.000 1.108 497 H CA 2.305 58.290 56.048 -0.105 0.000 1.273 497 H CB -0.344 29.369 29.762 -0.083 0.000 1.367 497 H HN 0.252 nan 8.280 nan 0.000 0.498 498 D N -0.875 119.342 120.400 -0.304 0.000 2.075 498 D HA -0.144 4.491 4.640 -0.009 0.000 0.196 498 D C 2.415 178.585 176.300 -0.216 0.000 0.985 498 D CA 1.699 55.483 54.000 -0.360 0.000 0.834 498 D CB -0.295 40.049 40.800 -0.760 0.000 0.987 498 D HN 0.241 nan 8.370 nan 0.000 0.452 499 V N 0.630 120.442 119.914 -0.169 0.000 2.282 499 V HA -0.237 3.878 4.120 -0.009 0.000 0.249 499 V C 2.446 178.500 176.094 -0.067 0.000 1.057 499 V CA 1.404 63.664 62.300 -0.066 0.000 1.032 499 V CB -0.547 31.282 31.823 0.010 0.000 0.645 499 V HN 0.338 nan 8.190 nan 0.000 0.447 500 L N 0.779 121.949 121.223 -0.089 0.000 2.633 500 L HA -0.048 4.287 4.340 -0.009 0.000 0.235 500 L C 2.013 178.794 176.870 -0.148 0.000 1.163 500 L CA 1.221 55.997 54.840 -0.106 0.000 0.859 500 L CB -0.441 41.549 42.059 -0.115 0.000 0.973 500 L HN 0.544 nan 8.230 nan 0.000 0.451 501 S N -1.967 113.619 115.700 -0.190 0.000 2.539 501 S HA 0.158 4.623 4.470 -0.009 0.000 0.221 501 S C 1.588 176.129 174.600 -0.099 0.000 0.987 501 S CA -0.539 57.550 58.200 -0.186 0.000 0.929 501 S CB 0.311 63.329 63.200 -0.303 0.000 0.832 501 S HN 0.365 nan 8.310 nan 0.000 0.492 502 R N 0.623 121.079 120.500 -0.074 0.000 2.469 502 R HA 0.458 4.793 4.340 -0.009 0.000 0.250 502 R C 0.224 176.510 176.300 -0.023 0.000 0.909 502 R CA 0.383 56.461 56.100 -0.037 0.000 1.050 502 R CB 0.677 30.962 30.300 -0.024 0.000 1.256 502 R HN 0.615 nan 8.270 nan 0.000 0.550 503 M N -0.796 118.787 119.600 -0.029 0.000 2.790 503 M HA 0.349 4.824 4.480 -0.009 0.000 0.272 503 M C -2.069 174.217 176.300 -0.023 0.000 1.168 503 M CA -0.960 54.330 55.300 -0.016 0.000 0.829 503 M CB 2.142 34.742 32.600 0.001 0.000 1.675 503 M HN -0.187 nan 8.290 nan 0.000 0.505 504 E N 2.108 122.297 120.200 -0.019 0.000 2.212 504 E HA 0.852 5.197 4.350 -0.009 0.000 0.270 504 E C -1.348 175.244 176.600 -0.013 0.000 0.956 504 E CA -1.043 55.344 56.400 -0.023 0.000 0.825 504 E CB 2.623 32.308 29.700 -0.025 0.000 1.167 504 E HN 0.617 nan 8.360 nan 0.000 0.400 505 L N 1.038 122.251 121.223 -0.015 0.000 2.323 505 L HA 0.395 4.730 4.340 -0.009 0.000 0.265 505 L C 0.514 177.377 176.870 -0.010 0.000 1.012 505 L CA -0.848 53.989 54.840 -0.004 0.000 0.820 505 L CB 1.969 44.034 42.059 0.010 0.000 1.334 505 L HN 0.762 nan 8.230 nan 0.000 0.427 506 S N -0.707 114.990 115.700 -0.005 0.000 2.397 506 S HA 0.194 4.659 4.470 -0.009 0.000 0.261 506 S C 0.460 175.058 174.600 -0.004 0.000 1.187 506 S CA -0.338 57.856 58.200 -0.009 0.000 1.023 506 S CB 0.610 63.803 63.200 -0.012 0.000 1.103 506 S HN 0.614 nan 8.310 nan 0.000 0.474 507 D N 1.135 121.534 120.400 -0.002 0.000 2.083 507 D HA -0.021 4.614 4.640 -0.009 0.000 0.199 507 D C 1.932 178.245 176.300 0.021 0.000 0.980 507 D CA 1.458 55.461 54.000 0.006 0.000 0.851 507 D CB -0.819 39.984 40.800 0.005 0.000 0.997 507 D HN 0.507 nan 8.370 nan 0.000 0.449 508 I N 0.619 121.204 120.570 0.025 0.000 2.264 508 I HA -0.040 4.125 4.170 -0.009 0.000 0.248 508 I C 2.448 178.604 176.117 0.066 0.000 1.111 508 I CA 1.231 62.556 61.300 0.042 0.000 1.382 508 I CB -1.537 36.477 38.000 0.023 0.000 1.060 508 I HN -0.012 nan 8.210 nan 0.000 0.418 509 G N 0.759 109.584 108.800 0.042 0.000 2.514 509 G HA2 -0.240 3.715 3.960 -0.009 0.000 0.217 509 G HA3 -0.240 3.715 3.960 -0.009 0.000 0.217 509 G C 1.793 176.755 174.900 0.103 0.000 1.198 509 G CA 1.367 46.505 45.100 0.065 0.000 0.780 509 G HN 0.601 nan 8.290 nan 0.000 0.565 510 A N -0.040 122.812 122.820 0.053 0.000 2.014 510 A HA 0.251 4.566 4.320 -0.009 0.000 0.218 510 A C 2.439 180.049 177.584 0.043 0.000 1.163 510 A CA 0.949 53.003 52.037 0.028 0.000 0.652 510 A CB -0.245 18.738 19.000 -0.028 0.000 0.808 510 A HN 0.366 nan 8.150 nan 0.000 0.449 511 L N -1.598 119.660 121.223 0.059 0.000 2.005 511 L HA -0.188 4.147 4.340 -0.009 0.000 0.207 511 L C 2.659 179.582 176.870 0.089 0.000 1.072 511 L CA 1.968 56.844 54.840 0.059 0.000 0.744 511 L CB -0.773 41.320 42.059 0.057 0.000 0.895 511 L HN 0.671 nan 8.230 nan 0.000 0.433 512 H N 0.030 119.110 119.070 0.018 0.000 2.387 512 H HA -0.246 4.305 4.556 -0.009 0.000 0.299 512 H C 1.985 177.366 175.328 0.088 0.000 1.099 512 H CA 1.800 57.860 56.048 0.020 0.000 1.315 512 H CB -0.048 29.715 29.762 0.000 0.000 1.380 512 H HN 0.122 nan 8.280 nan 0.000 0.513 513 L N 0.451 121.754 121.223 0.132 0.000 2.043 513 L HA -0.157 4.177 4.340 -0.009 0.000 0.212 513 L C 2.147 179.131 176.870 0.191 0.000 1.075 513 L CA 1.688 56.620 54.840 0.153 0.000 0.752 513 L CB -0.695 41.488 42.059 0.207 0.000 0.891 513 L HN 0.505 nan 8.230 nan 0.000 0.432 514 I N -1.579 119.106 120.570 0.191 0.000 2.252 514 I HA -0.331 3.834 4.170 -0.009 0.000 0.245 514 I C 2.175 178.320 176.117 0.048 0.000 1.102 514 I CA 1.201 62.636 61.300 0.225 0.000 1.385 514 I CB -0.505 37.568 38.000 0.121 0.000 1.064 514 I HN 0.306 nan 8.210 nan 0.000 0.414 515 C N 0.605 119.877 119.300 -0.047 0.000 2.511 515 C HA 0.007 4.462 4.460 -0.009 0.000 0.277 515 C C 2.651 177.572 174.990 -0.116 0.000 1.451 515 C CA 0.302 59.252 59.018 -0.114 0.000 1.735 515 C CB -1.659 25.986 27.740 -0.159 0.000 1.704 515 C HN 0.396 nan 8.230 nan 0.000 0.571 516 R N -0.357 120.089 120.500 -0.090 0.000 2.112 516 R HA 0.005 4.340 4.340 -0.009 0.000 0.216 516 R C 1.090 177.452 176.300 0.103 0.000 1.080 516 R CA 0.443 56.586 56.100 0.071 0.000 0.996 516 R CB -0.425 29.902 30.300 0.045 0.000 0.902 516 R HN 0.313 nan 8.270 nan 0.000 0.449 517 T N 3.059 117.577 114.554 -0.060 0.000 2.946 517 T HA -0.021 4.324 4.350 -0.009 0.000 0.312 517 T C -1.475 173.209 174.700 -0.026 0.000 1.066 517 T CA -0.881 61.118 62.100 -0.168 0.000 1.138 517 T CB 1.105 69.758 68.868 -0.359 0.000 1.014 517 T HN 0.138 nan 8.240 nan 0.000 0.544 518 P HA -0.065 nan 4.420 nan 0.000 0.219 518 P C 0.852 178.174 177.300 0.037 0.000 1.150 518 P CA 0.943 64.067 63.100 0.040 0.000 0.814 518 P CB 0.282 31.980 31.700 -0.003 0.000 0.787 519 D N -0.747 119.648 120.400 -0.009 0.000 2.310 519 D HA -0.030 4.605 4.640 -0.009 0.000 0.212 519 D C 1.093 177.451 176.300 0.097 0.000 0.965 519 D CA 0.648 54.682 54.000 0.058 0.000 0.879 519 D CB -0.218 40.563 40.800 -0.031 0.000 0.921 519 D HN 0.207 nan 8.370 nan 0.000 0.510 520 M N 0.895 120.516 119.600 0.034 0.000 2.255 520 M HA 0.113 4.588 4.480 -0.009 0.000 0.336 520 M C -0.080 176.229 176.300 0.015 0.000 1.135 520 M CA -0.349 54.971 55.300 0.033 0.000 1.145 520 M CB 1.200 33.794 32.600 -0.009 0.000 1.473 520 M HN -0.265 nan 8.290 nan 0.000 0.462 521 E N 2.905 123.105 120.200 0.000 0.000 2.249 521 E HA 0.392 4.736 4.350 -0.009 0.000 0.280 521 E C -1.083 175.460 176.600 -0.095 0.000 1.016 521 E CA -0.377 56.003 56.400 -0.034 0.000 0.830 521 E CB 0.835 30.520 29.700 -0.024 0.000 1.081 521 E HN 0.659 nan 8.360 nan 0.000 0.395 522 R N 2.850 123.264 120.500 -0.143 0.000 2.711 522 R HA 0.356 4.691 4.340 -0.009 0.000 0.284 522 R C -0.895 175.297 176.300 -0.180 0.000 0.968 522 R CA -0.904 55.069 56.100 -0.213 0.000 0.924 522 R CB 1.051 31.129 30.300 -0.371 0.000 1.162 522 R HN 0.400 nan 8.270 nan 0.000 0.465 523 L N 0.875 121.995 121.223 -0.171 0.000 2.453 523 L HA 0.232 4.567 4.340 -0.009 0.000 0.261 523 L C 0.366 177.155 176.870 -0.134 0.000 1.179 523 L CA 0.583 55.350 54.840 -0.122 0.000 0.813 523 L CB 1.173 43.180 42.059 -0.087 0.000 1.110 523 L HN 0.602 nan 8.230 nan 0.000 0.466 524 T N 1.797 116.297 114.554 -0.090 0.000 2.817 524 T HA 0.414 4.759 4.350 -0.009 0.000 0.293 524 T C -0.132 174.519 174.700 -0.081 0.000 0.964 524 T CA -0.433 61.612 62.100 -0.091 0.000 1.085 524 T CB 0.794 69.623 68.868 -0.065 0.000 0.921 524 T HN 0.251 nan 8.240 nan 0.000 0.502 525 V N 5.531 125.380 119.914 -0.108 0.000 2.546 525 V HA 0.436 4.551 4.120 -0.009 0.000 0.284 525 V C 0.635 176.684 176.094 -0.075 0.000 1.050 525 V CA -0.488 61.745 62.300 -0.113 0.000 0.981 525 V CB 0.982 32.714 31.823 -0.152 0.000 0.990 525 V HN 0.757 nan 8.190 nan 0.000 0.474 526 R N 2.530 122.994 120.500 -0.059 0.000 3.006 526 R HA 0.492 4.827 4.340 -0.009 0.000 0.235 526 R C 0.951 177.233 176.300 -0.030 0.000 1.362 526 R CA -1.019 55.060 56.100 -0.036 0.000 1.067 526 R CB 1.278 31.568 30.300 -0.016 0.000 1.396 526 R HN 0.466 nan 8.270 nan 0.000 0.504 527 K N 0.426 120.817 120.400 -0.016 0.000 2.089 527 K HA -0.186 4.129 4.320 -0.009 0.000 0.210 527 K C 1.769 178.372 176.600 0.005 0.000 1.048 527 K CA 2.548 58.831 56.287 -0.007 0.000 0.926 527 K CB -0.244 32.255 32.500 -0.002 0.000 0.714 527 K HN 0.684 nan 8.250 nan 0.000 0.448 528 T N -0.991 113.577 114.554 0.024 0.000 3.088 528 T HA -0.018 4.327 4.350 -0.009 0.000 0.259 528 T C 0.643 175.410 174.700 0.111 0.000 1.122 528 T CA 0.458 62.599 62.100 0.068 0.000 1.095 528 T CB -0.042 68.876 68.868 0.083 0.000 0.930 528 T HN -0.016 nan 8.240 nan 0.000 0.508 529 D N 2.325 122.726 120.400 0.001 0.000 2.841 529 D HA 0.184 4.818 4.640 -0.009 0.000 0.244 529 D C 1.192 177.259 176.300 -0.387 0.000 1.228 529 D CA -0.016 53.832 54.000 -0.254 0.000 0.872 529 D CB -0.090 40.512 40.800 -0.330 0.000 1.082 529 D HN 0.397 nan 8.370 nan 0.000 0.457 530 S N 0.191 115.834 115.700 -0.096 0.000 2.419 530 S HA -0.127 4.337 4.470 -0.009 0.000 0.233 530 S C 1.721 176.303 174.600 -0.031 0.000 1.016 530 S CA 0.289 58.466 58.200 -0.039 0.000 0.974 530 S CB -0.260 62.973 63.200 0.055 0.000 0.786 530 S HN 0.683 nan 8.310 nan 0.000 0.492 531 W N 1.289 122.592 121.300 0.006 0.000 2.699 531 W HA 0.139 4.794 4.660 -0.009 0.000 0.249 531 W C 1.012 177.546 176.519 0.025 0.000 1.280 531 W CA 0.200 57.552 57.345 0.011 0.000 1.345 531 W CB -1.034 28.415 29.460 -0.018 0.000 1.128 531 W HN 0.089 nan 8.180 nan 0.000 0.642 532 V N 1.338 120.759 119.914 -0.822 0.000 2.488 532 V HA -0.248 3.867 4.120 -0.009 0.000 0.246 532 V C 2.548 178.500 176.094 -0.237 0.000 1.046 532 V CA 2.363 64.229 62.300 -0.723 0.000 1.053 532 V CB -0.752 30.551 31.823 -0.866 0.000 0.679 532 V HN 0.142 nan 8.190 nan 0.000 0.458 533 E N 0.576 120.695 120.200 -0.134 0.000 2.031 533 E HA -0.255 4.090 4.350 -0.009 0.000 0.193 533 E C 2.187 178.897 176.600 0.183 0.000 0.994 533 E CA 1.715 58.154 56.400 0.064 0.000 0.800 533 E CB -0.052 29.711 29.700 0.106 0.000 0.752 533 E HN 0.725 nan 8.360 nan 0.000 0.447 534 E N 0.277 120.570 120.200 0.155 0.000 2.058 534 E HA -0.249 4.095 4.350 -0.009 0.000 0.194 534 E C 2.089 178.836 176.600 0.245 0.000 0.997 534 E CA 1.333 57.864 56.400 0.219 0.000 0.801 534 E CB -0.097 29.712 29.700 0.182 0.000 0.746 534 E HN 0.158 nan 8.360 nan 0.000 0.450 535 E N 0.902 121.217 120.200 0.191 0.000 2.110 535 E HA -0.153 4.191 4.350 -0.009 0.000 0.193 535 E C 1.825 178.500 176.600 0.126 0.000 0.988 535 E CA 1.373 57.875 56.400 0.170 0.000 0.804 535 E CB -0.209 29.621 29.700 0.218 0.000 0.745 535 E HN 0.265 nan 8.360 nan 0.000 0.458 536 A N -0.261 122.644 122.820 0.141 0.000 1.929 536 A HA -0.079 4.236 4.320 -0.009 0.000 0.216 536 A C 2.122 179.859 177.584 0.255 0.000 1.176 536 A CA 1.148 53.291 52.037 0.177 0.000 0.628 536 A CB -0.867 18.261 19.000 0.214 0.000 0.816 536 A HN 0.428 nan 8.150 nan 0.000 0.444 537 F N 0.803 120.857 119.950 0.173 0.000 2.095 537 F HA -0.180 4.342 4.527 -0.009 0.000 0.298 537 F C 2.316 178.059 175.800 -0.094 0.000 1.104 537 F CA 2.039 60.065 58.000 0.044 0.000 1.232 537 F CB -0.421 38.648 39.000 0.116 0.000 0.987 537 F HN 0.175 nan 8.300 nan 0.000 0.475 538 R N 0.357 120.773 120.500 -0.141 0.000 2.080 538 R HA -0.154 4.181 4.340 -0.009 0.000 0.236 538 R C 2.234 178.385 176.300 -0.248 0.000 1.137 538 R CA 2.029 57.987 56.100 -0.236 0.000 0.943 538 R CB -0.619 29.662 30.300 -0.031 0.000 0.846 538 R HN 0.396 nan 8.270 nan 0.000 0.431 539 L N 1.288 122.424 121.223 -0.144 0.000 2.551 539 L HA -0.042 4.293 4.340 -0.009 0.000 0.228 539 L C 2.366 179.120 176.870 -0.193 0.000 1.153 539 L CA 0.468 55.229 54.840 -0.132 0.000 0.851 539 L CB -0.488 41.531 42.059 -0.066 0.000 0.959 539 L HN 0.287 nan 8.230 nan 0.000 0.451 540 R N 1.007 121.309 120.500 -0.329 0.000 2.178 540 R HA -0.269 4.066 4.340 -0.009 0.000 0.257 540 R C 1.759 177.877 176.300 -0.303 0.000 1.163 540 R CA 1.920 57.737 56.100 -0.472 0.000 0.981 540 R CB -0.509 29.134 30.300 -1.094 0.000 0.878 540 R HN 0.170 nan 8.270 nan 0.000 0.454 541 K N 0.322 120.568 120.400 -0.258 0.000 2.486 541 K HA 0.010 4.325 4.320 -0.009 0.000 0.194 541 K C 1.058 177.600 176.600 -0.095 0.000 1.033 541 K CA 1.006 57.200 56.287 -0.155 0.000 1.004 541 K CB 0.367 32.780 32.500 -0.144 0.000 0.798 541 K HN 0.416 nan 8.250 nan 0.000 0.495 542 E N -0.268 119.874 120.200 -0.098 0.000 2.481 542 E HA 0.113 4.457 4.350 -0.009 0.000 0.198 542 E C -0.369 176.206 176.600 -0.041 0.000 1.027 542 E CA -0.105 56.260 56.400 -0.059 0.000 0.900 542 E CB 0.462 30.127 29.700 -0.058 0.000 0.993 542 E HN 0.164 nan 8.360 nan 0.000 0.482 543 L N 0.887 122.075 121.223 -0.059 0.000 2.379 543 L HA 0.160 4.494 4.340 -0.009 0.000 0.269 543 L C 1.533 178.429 176.870 0.042 0.000 1.084 543 L CA -0.313 54.491 54.840 -0.059 0.000 0.802 543 L CB 1.418 43.381 42.059 -0.160 0.000 1.175 543 L HN 0.033 nan 8.230 nan 0.000 0.448 544 S N 0.743 116.532 115.700 0.148 0.000 2.603 544 S HA -0.016 4.449 4.470 -0.009 0.000 0.229 544 S C -0.111 174.670 174.600 0.302 0.000 0.972 544 S CA 0.188 58.516 58.200 0.212 0.000 0.935 544 S CB -0.394 62.963 63.200 0.263 0.000 0.769 544 S HN 0.627 nan 8.310 nan 0.000 0.536 545 Y N -2.844 117.578 120.300 0.202 0.000 2.732 545 Y HA 0.629 5.173 4.550 -0.009 0.000 0.342 545 Y C -2.030 173.988 175.900 0.197 0.000 1.203 545 Y CA -2.213 55.989 58.100 0.170 0.000 1.092 545 Y CB 0.387 38.935 38.460 0.148 0.000 1.345 545 Y HN -0.016 nan 8.280 nan 0.000 0.458 546 Y N 3.707 123.966 120.300 -0.069 0.000 2.287 546 Y HA 0.684 5.229 4.550 -0.009 0.000 0.325 546 Y C -2.951 172.856 175.900 -0.154 0.000 1.139 546 Y CA -2.444 55.457 58.100 -0.332 0.000 1.167 546 Y CB 1.604 39.974 38.460 -0.151 0.000 1.158 546 Y HN 0.664 nan 8.280 nan 0.000 0.434 547 P HA 0.258 nan 4.420 nan 0.000 0.275 547 P C -0.615 176.477 177.300 -0.347 0.000 1.266 547 P CA -0.439 62.469 63.100 -0.320 0.000 0.793 547 P CB 0.961 32.551 31.700 -0.182 0.000 1.074 548 S N -0.554 115.084 115.700 -0.103 0.000 2.610 548 S HA 0.134 4.599 4.470 -0.009 0.000 0.273 548 S C 0.593 175.011 174.600 -0.304 0.000 1.274 548 S CA -0.491 57.670 58.200 -0.066 0.000 1.023 548 S CB 0.064 63.330 63.200 0.111 0.000 0.962 548 S HN 0.257 nan 8.310 nan 0.000 0.523 549 D N 2.618 122.681 120.400 -0.560 0.000 2.182 549 D HA -0.081 4.553 4.640 -0.009 0.000 0.201 549 D C 1.153 176.999 176.300 -0.757 0.000 0.986 549 D CA 1.528 54.794 54.000 -1.223 0.000 0.847 549 D CB -0.312 39.860 40.800 -1.046 0.000 0.942 549 D HN 0.670 nan 8.370 nan 0.000 0.467 550 F N 0.598 120.388 119.950 -0.266 0.000 2.456 550 F HA 0.057 4.579 4.527 -0.008 0.000 0.298 550 F C 1.538 177.304 175.800 -0.057 0.000 1.104 550 F CA -0.001 57.924 58.000 -0.125 0.000 1.435 550 F CB -0.383 38.562 39.000 -0.092 0.000 1.078 550 F HN -0.260 nan 8.300 nan 0.000 0.546 551 S N 0.843 116.618 115.700 0.125 0.000 2.558 551 S HA 0.012 4.477 4.470 -0.009 0.000 0.291 551 S C 1.297 175.979 174.600 0.136 0.000 1.306 551 S CA -0.192 58.081 58.200 0.122 0.000 1.056 551 S CB 0.916 64.191 63.200 0.125 0.000 0.836 551 S HN 0.218 nan 8.310 nan 0.000 0.504 552 V N 1.833 121.813 119.914 0.109 0.000 3.630 552 V HA 0.287 4.402 4.120 -0.009 0.000 0.273 552 V C 0.787 176.962 176.094 0.135 0.000 1.248 552 V CA 1.122 63.486 62.300 0.107 0.000 1.170 552 V CB -1.000 30.865 31.823 0.070 0.000 0.899 552 V HN 0.860 nan 8.190 nan 0.000 0.457 553 E N -1.741 118.559 120.200 0.168 0.000 2.601 553 E HA 0.166 4.511 4.350 -0.009 0.000 0.219 553 E C 1.168 177.966 176.600 0.330 0.000 0.964 553 E CA -0.129 56.398 56.400 0.211 0.000 1.050 553 E CB 0.124 29.898 29.700 0.123 0.000 1.068 553 E HN 0.588 nan 8.360 nan 0.000 0.496 554 Y N 2.420 122.814 120.300 0.157 0.000 2.207 554 Y HA -0.237 4.308 4.550 -0.008 0.000 0.287 554 Y C 1.548 177.610 175.900 0.270 0.000 1.156 554 Y CA 1.759 59.963 58.100 0.173 0.000 1.182 554 Y CB 0.192 38.683 38.460 0.051 0.000 0.979 554 Y HN -0.003 nan 8.280 nan 0.000 0.521 555 D N -1.529 119.000 120.400 0.215 0.000 2.264 555 D HA -0.204 4.431 4.640 -0.009 0.000 0.208 555 D C 1.628 177.994 176.300 0.110 0.000 0.966 555 D CA 1.025 55.083 54.000 0.095 0.000 0.864 555 D CB -0.607 40.266 40.800 0.122 0.000 0.933 555 D HN 0.538 nan 8.370 nan 0.000 0.499 556 W N 0.249 121.587 121.300 0.063 0.000 2.518 556 W HA -0.056 4.599 4.660 -0.008 0.000 0.273 556 W C 1.905 178.472 176.519 0.080 0.000 1.247 556 W CA 0.244 57.626 57.345 0.061 0.000 1.288 556 W CB -0.206 29.306 29.460 0.088 0.000 1.107 556 W HN -0.143 nan 8.180 nan 0.000 0.586 557 F N 0.296 120.384 119.950 0.231 0.000 2.163 557 F HA -0.097 4.425 4.527 -0.008 0.000 0.297 557 F C 1.770 177.527 175.800 -0.071 0.000 1.094 557 F CA 1.782 59.874 58.000 0.152 0.000 1.290 557 F CB -0.661 38.372 39.000 0.056 0.000 1.017 557 F HN -0.244 nan 8.300 nan 0.000 0.483 558 L N -0.587 120.399 121.223 -0.396 0.000 2.275 558 L HA -0.143 4.191 4.340 -0.009 0.000 0.215 558 L C 2.684 179.309 176.870 -0.408 0.000 1.119 558 L CA 1.204 55.734 54.840 -0.515 0.000 0.790 558 L CB -0.803 41.019 42.059 -0.395 0.000 0.919 558 L HN 0.241 nan 8.230 nan 0.000 0.443 559 S N -0.265 115.224 115.700 -0.351 0.000 2.387 559 S HA -0.148 4.317 4.470 -0.009 0.000 0.226 559 S C 1.829 176.199 174.600 -0.382 0.000 1.026 559 S CA 1.104 59.081 58.200 -0.370 0.000 0.972 559 S CB 0.039 62.945 63.200 -0.490 0.000 0.814 559 S HN 0.451 nan 8.310 nan 0.000 0.477 560 E N 0.086 120.055 120.200 -0.385 0.000 2.047 560 E HA -0.064 4.281 4.350 -0.009 0.000 0.191 560 E C 2.135 178.622 176.600 -0.187 0.000 0.987 560 E CA 1.238 57.464 56.400 -0.290 0.000 0.799 560 E CB -0.167 29.430 29.700 -0.172 0.000 0.752 560 E HN 0.306 nan 8.360 nan 0.000 0.449 561 V N 1.698 121.437 119.914 -0.291 0.000 2.261 561 V HA -0.299 3.816 4.120 -0.009 0.000 0.246 561 V C 2.413 178.401 176.094 -0.176 0.000 1.047 561 V CA 2.055 64.201 62.300 -0.258 0.000 1.015 561 V CB -0.400 31.105 31.823 -0.530 0.000 0.642 561 V HN 0.222 nan 8.190 nan 0.000 0.446 562 K N -0.356 119.910 120.400 -0.224 0.000 2.074 562 K HA -0.229 4.086 4.320 -0.009 0.000 0.209 562 K C 2.041 178.579 176.600 -0.103 0.000 1.048 562 K CA 2.198 58.413 56.287 -0.121 0.000 0.926 562 K CB -0.346 32.065 32.500 -0.149 0.000 0.713 562 K HN 0.544 nan 8.250 nan 0.000 0.444 563 T N 0.514 114.970 114.554 -0.163 0.000 2.708 563 T HA -0.098 4.246 4.350 -0.009 0.000 0.266 563 T C 1.922 176.529 174.700 -0.154 0.000 1.037 563 T CA 1.312 63.301 62.100 -0.185 0.000 1.146 563 T CB -0.330 68.432 68.868 -0.177 0.000 0.865 563 T HN 0.435 nan 8.240 nan 0.000 0.435 564 A N 1.256 124.026 122.820 -0.083 0.000 1.898 564 A HA 0.073 4.388 4.320 -0.009 0.000 0.216 564 A C 2.329 179.910 177.584 -0.005 0.000 1.181 564 A CA 1.013 53.038 52.037 -0.020 0.000 0.620 564 A CB -0.875 18.158 19.000 0.054 0.000 0.819 564 A HN 0.452 nan 8.150 nan 0.000 0.442 565 L N -0.775 120.462 121.223 0.023 0.000 2.042 565 L HA -0.273 4.062 4.340 -0.009 0.000 0.210 565 L C 2.851 179.769 176.870 0.080 0.000 1.076 565 L CA 1.544 56.471 54.840 0.146 0.000 0.749 565 L CB -0.691 41.572 42.059 0.340 0.000 0.893 565 L HN 0.694 nan 8.230 nan 0.000 0.432 566 C N 0.221 119.321 119.300 -0.333 0.000 2.429 566 C HA -0.141 4.314 4.460 -0.009 0.000 0.277 566 C C 2.718 177.600 174.990 -0.180 0.000 1.262 566 C CA 0.547 59.104 59.018 -0.767 0.000 1.733 566 C CB -0.764 26.277 27.740 -1.165 0.000 2.010 566 C HN 0.434 nan 8.230 nan 0.000 0.483 567 L N 0.750 121.917 121.223 -0.094 0.000 2.201 567 L HA -0.088 4.247 4.340 -0.009 0.000 0.212 567 L C 2.644 179.600 176.870 0.144 0.000 1.105 567 L CA 1.587 56.460 54.840 0.056 0.000 0.775 567 L CB -0.604 41.470 42.059 0.024 0.000 0.913 567 L HN 0.338 nan 8.230 nan 0.000 0.440 568 K N 0.531 120.988 120.400 0.094 0.000 2.001 568 K HA -0.180 4.135 4.320 -0.009 0.000 0.208 568 K C 1.632 178.296 176.600 0.107 0.000 1.048 568 K CA 1.632 57.976 56.287 0.095 0.000 0.932 568 K CB -0.237 32.317 32.500 0.091 0.000 0.715 568 K HN 0.066 nan 8.250 nan 0.000 0.437 569 D N -0.373 120.118 120.400 0.151 0.000 2.221 569 D HA -0.188 4.446 4.640 -0.009 0.000 0.204 569 D C 1.425 177.815 176.300 0.151 0.000 0.982 569 D CA 0.780 54.875 54.000 0.158 0.000 0.857 569 D CB -0.211 40.742 40.800 0.255 0.000 0.934 569 D HN 0.463 nan 8.370 nan 0.000 0.475 570 W N 1.703 123.012 121.300 0.016 0.000 2.453 570 W HA -0.072 4.582 4.660 -0.009 0.000 0.289 570 W C 1.623 178.146 176.519 0.007 0.000 1.215 570 W CA 0.686 58.035 57.345 0.007 0.000 1.297 570 W CB -0.022 29.430 29.460 -0.014 0.000 1.113 570 W HN -0.006 nan 8.180 nan 0.000 0.551 571 I N -0.792 119.695 120.570 -0.138 0.000 3.684 571 I HA 0.112 4.277 4.170 -0.009 0.000 0.304 571 I C 0.826 176.836 176.117 -0.178 0.000 1.278 571 I CA 0.734 61.891 61.300 -0.239 0.000 1.272 571 I CB -0.347 37.620 38.000 -0.054 0.000 1.029 571 I HN -0.279 nan 8.210 nan 0.000 0.458 572 E N 2.024 122.152 120.200 -0.119 0.000 2.437 572 E HA 0.086 4.430 4.350 -0.009 0.000 0.195 572 E C -0.071 176.460 176.600 -0.115 0.000 1.029 572 E CA -0.045 56.301 56.400 -0.091 0.000 0.948 572 E CB -0.179 29.502 29.700 -0.033 0.000 1.082 572 E HN 0.550 nan 8.360 nan 0.000 0.456 573 E N 0.040 120.120 120.200 -0.199 0.000 2.722 573 E HA -0.262 4.083 4.350 -0.009 0.000 0.265 573 E C 0.263 176.790 176.600 -0.122 0.000 1.081 573 E CA 0.641 56.914 56.400 -0.212 0.000 0.781 573 E CB -1.414 28.183 29.700 -0.171 0.000 1.372 573 E HN 0.135 nan 8.360 nan 0.000 0.423 574 K N 1.725 122.087 120.400 -0.063 0.000 2.319 574 K HA 0.044 4.358 4.320 -0.009 0.000 0.265 574 K C 0.163 176.784 176.600 0.035 0.000 1.000 574 K CA -0.268 56.023 56.287 0.007 0.000 0.943 574 K CB 0.628 33.167 32.500 0.065 0.000 0.950 574 K HN -0.002 nan 8.250 nan 0.000 0.485 575 D N 2.299 122.724 120.400 0.043 0.000 2.472 575 D HA -0.069 4.566 4.640 -0.009 0.000 0.237 575 D C 0.564 176.936 176.300 0.121 0.000 1.141 575 D CA 0.665 54.703 54.000 0.062 0.000 0.875 575 D CB 0.843 41.668 40.800 0.043 0.000 1.192 575 D HN 0.575 nan 8.370 nan 0.000 0.450 576 E N 1.942 122.232 120.200 0.151 0.000 2.031 576 E HA -0.176 4.169 4.350 -0.009 0.000 0.193 576 E C 1.174 177.854 176.600 0.134 0.000 0.994 576 E CA 1.109 57.625 56.400 0.193 0.000 0.800 576 E CB 0.069 29.885 29.700 0.194 0.000 0.752 576 E HN 0.601 nan 8.360 nan 0.000 0.447 577 D N 0.487 120.945 120.400 0.096 0.000 2.218 577 D HA -0.143 4.492 4.640 -0.009 0.000 0.204 577 D C 1.724 178.064 176.300 0.066 0.000 0.976 577 D CA 0.877 54.921 54.000 0.074 0.000 0.853 577 D CB -0.006 40.827 40.800 0.055 0.000 0.939 577 D HN 0.272 nan 8.370 nan 0.000 0.481 578 E N 0.262 120.500 120.200 0.063 0.000 2.072 578 E HA -0.131 4.214 4.350 -0.009 0.000 0.191 578 E C 2.252 178.893 176.600 0.068 0.000 0.985 578 E CA 0.355 56.778 56.400 0.039 0.000 0.801 578 E CB 0.182 29.898 29.700 0.025 0.000 0.750 578 E HN 0.202 nan 8.360 nan 0.000 0.452 579 I N 1.023 121.678 120.570 0.142 0.000 2.127 579 I HA -0.312 3.853 4.170 -0.009 0.000 0.241 579 I C 2.524 178.796 176.117 0.258 0.000 1.075 579 I CA 1.067 62.523 61.300 0.260 0.000 1.334 579 I CB -1.358 36.802 38.000 0.268 0.000 1.040 579 I HN 0.287 nan 8.210 nan 0.000 0.405 580 C N 0.965 120.362 119.300 0.162 0.000 2.413 580 C HA -0.153 4.302 4.460 -0.009 0.000 0.276 580 C C 3.129 178.179 174.990 0.099 0.000 1.248 580 C CA 1.031 60.125 59.018 0.126 0.000 1.742 580 C CB -1.362 26.429 27.740 0.085 0.000 2.017 580 C HN 0.624 nan 8.230 nan 0.000 0.481 581 A N -0.208 122.647 122.820 0.059 0.000 2.014 581 A HA -0.157 4.158 4.320 -0.009 0.000 0.218 581 A C 2.210 179.782 177.584 -0.019 0.000 1.163 581 A CA 1.682 53.730 52.037 0.018 0.000 0.652 581 A CB -0.482 18.517 19.000 -0.002 0.000 0.808 581 A HN 0.703 nan 8.150 nan 0.000 0.449 582 K N -1.314 119.053 120.400 -0.056 0.000 2.007 582 K HA -0.110 4.205 4.320 -0.009 0.000 0.206 582 K C 0.832 177.289 176.600 -0.237 0.000 1.047 582 K CA 1.418 57.554 56.287 -0.252 0.000 0.937 582 K CB -0.227 32.005 32.500 -0.448 0.000 0.718 582 K HN 0.522 nan 8.250 nan 0.000 0.438 583 Y N 0.319 120.682 120.300 0.106 0.000 2.495 583 Y HA 0.233 4.778 4.550 -0.009 0.000 0.293 583 Y C 0.865 176.814 175.900 0.081 0.000 1.186 583 Y CA 0.227 58.417 58.100 0.150 0.000 1.266 583 Y CB 0.465 38.999 38.460 0.124 0.000 1.101 583 Y HN 0.326 nan 8.280 nan 0.000 0.517 584 G N 1.737 110.625 108.800 0.145 0.000 2.356 584 G HA2 -0.296 3.659 3.960 -0.009 0.000 0.296 584 G HA3 -0.296 3.659 3.960 -0.009 0.000 0.296 584 G C -0.159 174.782 174.900 0.068 0.000 1.022 584 G CA 0.775 45.925 45.100 0.083 0.000 0.961 584 G HN 0.510 nan 8.290 nan 0.000 0.510 585 I N -3.414 117.205 120.570 0.083 0.000 3.145 585 I HA 0.992 5.157 4.170 -0.009 0.000 0.313 585 I C 0.105 176.245 176.117 0.037 0.000 1.122 585 I CA -1.351 59.975 61.300 0.043 0.000 0.987 585 I CB 1.844 39.867 38.000 0.039 0.000 1.236 585 I HN 0.566 nan 8.210 nan 0.000 0.453 586 A N 2.846 125.678 122.820 0.020 0.000 2.294 586 A HA 0.817 5.132 4.320 -0.009 0.000 0.330 586 A C -1.833 175.770 177.584 0.032 0.000 1.133 586 A CA -1.787 50.276 52.037 0.042 0.000 0.836 586 A CB 0.207 19.248 19.000 0.069 0.000 1.190 586 A HN 0.721 nan 8.150 nan 0.000 0.492 587 P HA -0.244 nan 4.420 nan 0.000 0.218 587 P C 1.549 178.842 177.300 -0.011 0.000 1.154 587 P CA 2.443 65.554 63.100 0.018 0.000 0.872 587 P CB -0.122 31.598 31.700 0.034 0.000 0.790 588 G N 0.033 108.838 108.800 0.009 0.000 2.418 588 G HA2 -0.238 3.717 3.960 -0.009 0.000 0.217 588 G HA3 -0.238 3.717 3.960 -0.009 0.000 0.217 588 G C 1.266 176.145 174.900 -0.035 0.000 1.158 588 G CA 0.968 46.062 45.100 -0.010 0.000 0.771 588 G HN 0.185 nan 8.290 nan 0.000 0.545 589 D N 0.364 120.748 120.400 -0.027 0.000 2.092 589 D HA -0.100 4.535 4.640 -0.009 0.000 0.193 589 D C 2.472 178.718 176.300 -0.090 0.000 0.994 589 D CA 0.425 54.395 54.000 -0.049 0.000 0.828 589 D CB -0.521 40.257 40.800 -0.037 0.000 0.963 589 D HN 0.239 nan 8.370 nan 0.000 0.450 590 L N 0.834 121.998 121.223 -0.098 0.000 1.990 590 L HA -0.211 4.124 4.340 -0.009 0.000 0.213 590 L C 2.557 179.266 176.870 -0.268 0.000 1.072 590 L CA 1.414 56.148 54.840 -0.176 0.000 0.755 590 L CB -0.040 41.931 42.059 -0.147 0.000 0.889 590 L HN 0.005 nan 8.230 nan 0.000 0.432 591 R N -0.585 119.784 120.500 -0.218 0.000 2.096 591 R HA -0.208 4.127 4.340 -0.009 0.000 0.235 591 R C 2.222 178.410 176.300 -0.187 0.000 1.127 591 R CA 1.351 57.309 56.100 -0.237 0.000 0.968 591 R CB -0.636 29.577 30.300 -0.146 0.000 0.861 591 R HN 0.456 nan 8.270 nan 0.000 0.440 592 R N 0.661 121.083 120.500 -0.130 0.000 2.062 592 R HA -0.115 4.220 4.340 -0.009 0.000 0.231 592 R C 2.233 178.477 176.300 -0.093 0.000 1.136 592 R CA 1.231 57.277 56.100 -0.090 0.000 0.948 592 R CB -0.248 30.015 30.300 -0.062 0.000 0.845 592 R HN -0.004 nan 8.270 nan 0.000 0.430 593 I N 0.377 120.875 120.570 -0.119 0.000 2.091 593 I HA -0.288 3.876 4.170 -0.009 0.000 0.239 593 I C 2.330 178.361 176.117 -0.143 0.000 1.061 593 I CA 1.211 62.439 61.300 -0.120 0.000 1.317 593 I CB -0.480 37.428 38.000 -0.154 0.000 1.031 593 I HN 0.016 nan 8.210 nan 0.000 0.401 594 V N 0.323 120.080 119.914 -0.262 0.000 2.287 594 V HA -0.338 3.777 4.120 -0.009 0.000 0.248 594 V C 2.527 178.523 176.094 -0.163 0.000 1.053 594 V CA 2.278 64.376 62.300 -0.336 0.000 1.027 594 V CB -0.694 30.697 31.823 -0.720 0.000 0.646 594 V HN 0.545 nan 8.190 nan 0.000 0.447 595 E N -0.387 119.734 120.200 -0.132 0.000 2.110 595 E HA -0.223 4.122 4.350 -0.009 0.000 0.193 595 E C 2.164 178.797 176.600 0.054 0.000 0.988 595 E CA 1.846 58.222 56.400 -0.041 0.000 0.804 595 E CB -0.060 29.609 29.700 -0.051 0.000 0.745 595 E HN 0.650 nan 8.360 nan 0.000 0.458 596 T N 0.544 115.138 114.554 0.066 0.000 2.737 596 T HA -0.055 4.290 4.350 -0.009 0.000 0.265 596 T C 1.899 176.734 174.700 0.224 0.000 1.038 596 T CA 1.269 63.493 62.100 0.207 0.000 1.144 596 T CB -0.276 68.690 68.868 0.163 0.000 0.866 596 T HN 0.320 nan 8.240 nan 0.000 0.434 597 A N 1.414 124.288 122.820 0.090 0.000 1.940 597 A HA -0.181 4.134 4.320 -0.009 0.000 0.219 597 A C 2.201 179.828 177.584 0.071 0.000 1.176 597 A CA 2.022 54.094 52.037 0.058 0.000 0.631 597 A CB -0.615 18.390 19.000 0.010 0.000 0.814 597 A HN 0.650 nan 8.150 nan 0.000 0.446 598 E N -1.388 118.867 120.200 0.091 0.000 2.047 598 E HA -0.248 4.097 4.350 -0.009 0.000 0.191 598 E C 1.815 178.505 176.600 0.151 0.000 0.987 598 E CA 1.466 57.923 56.400 0.095 0.000 0.799 598 E CB -0.367 29.381 29.700 0.081 0.000 0.752 598 E HN 0.772 nan 8.360 nan 0.000 0.449 599 W N 1.586 122.900 121.300 0.023 0.000 2.318 599 W HA -0.210 4.445 4.660 -0.008 0.000 0.313 599 W C 1.685 178.249 176.519 0.076 0.000 1.221 599 W CA 1.626 58.999 57.345 0.047 0.000 1.266 599 W CB -0.569 28.922 29.460 0.053 0.000 1.150 599 W HN 0.089 nan 8.180 nan 0.000 0.496 600 L N 0.224 121.338 121.223 -0.182 0.000 2.072 600 L HA -0.177 4.158 4.340 -0.009 0.000 0.205 600 L C 2.872 179.640 176.870 -0.169 0.000 1.079 600 L CA 1.560 56.202 54.840 -0.331 0.000 0.752 600 L CB -1.312 40.651 42.059 -0.161 0.000 0.906 600 L HN 0.056 nan 8.230 nan 0.000 0.436 601 S N 0.252 115.891 115.700 -0.101 0.000 2.370 601 S HA -0.274 4.191 4.470 -0.009 0.000 0.226 601 S C 1.857 176.367 174.600 -0.150 0.000 1.033 601 S CA 2.019 60.135 58.200 -0.140 0.000 1.011 601 S CB -0.470 62.698 63.200 -0.053 0.000 0.852 601 S HN 0.511 nan 8.310 nan 0.000 0.457 602 N N 0.446 119.106 118.700 -0.068 0.000 2.104 602 N HA -0.138 4.597 4.740 -0.009 0.000 0.190 602 N C 1.893 177.358 175.510 -0.074 0.000 1.024 602 N CA 1.270 54.298 53.050 -0.035 0.000 0.853 602 N CB -0.388 38.129 38.487 0.051 0.000 1.008 602 N HN 0.500 nan 8.380 nan 0.000 0.424 603 A N 1.498 124.251 122.820 -0.112 0.000 1.898 603 A HA -0.124 4.191 4.320 -0.009 0.000 0.216 603 A C 2.260 179.747 177.584 -0.162 0.000 1.181 603 A CA 1.163 53.153 52.037 -0.077 0.000 0.620 603 A CB -0.662 18.299 19.000 -0.067 0.000 0.819 603 A HN 0.516 nan 8.150 nan 0.000 0.442 604 M N -0.096 119.216 119.600 -0.480 0.000 2.108 604 M HA -0.226 4.249 4.480 -0.009 0.000 0.261 604 M C 1.886 177.931 176.300 -0.424 0.000 1.066 604 M CA 2.482 57.218 55.300 -0.940 0.000 1.107 604 M CB -0.309 31.435 32.600 -1.428 0.000 1.356 604 M HN 0.491 nan 8.290 nan 0.000 0.406 605 N N -0.035 118.500 118.700 -0.275 0.000 2.188 605 N HA -0.102 4.633 4.740 -0.009 0.000 0.184 605 N C 1.674 177.128 175.510 -0.093 0.000 1.018 605 N CA 1.402 54.357 53.050 -0.158 0.000 0.858 605 N CB -0.039 38.384 38.487 -0.108 0.000 0.989 605 N HN 0.345 nan 8.380 nan 0.000 0.426 606 R N -0.199 120.263 120.500 -0.064 0.000 2.115 606 R HA 0.052 4.387 4.340 -0.009 0.000 0.230 606 R C 1.986 178.283 176.300 -0.005 0.000 1.111 606 R CA 0.930 57.020 56.100 -0.017 0.000 0.976 606 R CB -0.206 30.102 30.300 0.013 0.000 0.870 606 R HN 0.372 nan 8.270 nan 0.000 0.445 607 I N 0.301 120.865 120.570 -0.011 0.000 2.353 607 I HA -0.193 3.972 4.170 -0.009 0.000 0.248 607 I C 2.525 178.630 176.117 -0.020 0.000 1.119 607 I CA 0.916 62.235 61.300 0.033 0.000 1.417 607 I CB -0.308 37.746 38.000 0.090 0.000 1.078 607 I HN 0.140 nan 8.210 nan 0.000 0.421 608 A N 0.566 123.339 122.820 -0.078 0.000 1.902 608 A HA -0.224 4.091 4.320 -0.009 0.000 0.217 608 A C 2.191 179.735 177.584 -0.066 0.000 1.181 608 A CA 1.670 53.650 52.037 -0.097 0.000 0.623 608 A CB -0.521 18.405 19.000 -0.123 0.000 0.818 608 A HN 0.419 nan 8.150 nan 0.000 0.443 609 E N -0.404 119.769 120.200 -0.045 0.000 2.106 609 E HA -0.163 4.182 4.350 -0.009 0.000 0.192 609 E C 1.949 178.542 176.600 -0.012 0.000 0.984 609 E CA 1.113 57.498 56.400 -0.026 0.000 0.806 609 E CB -0.132 29.558 29.700 -0.016 0.000 0.750 609 E HN 0.679 nan 8.360 nan 0.000 0.458 610 E N 0.144 120.345 120.200 0.002 0.000 2.204 610 E HA -0.116 4.229 4.350 -0.009 0.000 0.194 610 E C 1.448 178.057 176.600 0.015 0.000 0.989 610 E CA 0.544 56.958 56.400 0.023 0.000 0.824 610 E CB 0.283 30.016 29.700 0.054 0.000 0.756 610 E HN 0.047 nan 8.360 nan 0.000 0.477 611 V N -0.301 119.599 119.914 -0.024 0.000 3.514 611 V HA 0.131 4.245 4.120 -0.009 0.000 0.301 611 V C 1.100 177.159 176.094 -0.058 0.000 1.346 611 V CA 0.993 63.256 62.300 -0.062 0.000 1.156 611 V CB 0.113 31.817 31.823 -0.198 0.000 1.029 611 V HN 0.497 nan 8.190 nan 0.000 0.428 612 G N 0.843 109.621 108.800 -0.038 0.000 2.320 612 G HA2 -0.310 3.645 3.960 -0.009 0.000 0.242 612 G HA3 -0.310 3.645 3.960 -0.009 0.000 0.242 612 G C 0.554 175.430 174.900 -0.040 0.000 1.033 612 G CA 0.388 45.468 45.100 -0.032 0.000 0.620 612 G HN 0.552 nan 8.290 nan 0.000 0.517 613 N N 1.314 119.979 118.700 -0.057 0.000 2.441 613 N HA 0.342 5.076 4.740 -0.009 0.000 0.251 613 N C 1.191 176.671 175.510 -0.051 0.000 1.242 613 N CA 1.539 54.554 53.050 -0.057 0.000 0.898 613 N CB 0.699 39.140 38.487 -0.077 0.000 1.100 613 N HN 0.721 nan 8.380 nan 0.000 0.443 614 T N -2.691 111.836 114.554 -0.044 0.000 3.475 614 T HA 0.067 4.412 4.350 -0.009 0.000 0.310 614 T C 0.774 175.450 174.700 -0.039 0.000 0.963 614 T CA -0.252 61.824 62.100 -0.039 0.000 0.985 614 T CB -0.834 68.017 68.868 -0.028 0.000 1.198 614 T HN 0.359 nan 8.240 nan 0.000 0.508 615 S N 1.005 116.679 115.700 -0.044 0.000 2.631 615 S HA 0.165 4.629 4.470 -0.009 0.000 0.217 615 S C 1.527 176.099 174.600 -0.047 0.000 0.958 615 S CA 0.282 58.458 58.200 -0.040 0.000 0.920 615 S CB -0.355 62.824 63.200 -0.035 0.000 0.776 615 S HN 0.732 nan 8.310 nan 0.000 0.517 616 V N -2.526 117.351 119.914 -0.060 0.000 3.612 616 V HA 0.376 4.491 4.120 -0.009 0.000 0.268 616 V C 0.768 176.826 176.094 -0.059 0.000 1.365 616 V CA 0.048 62.305 62.300 -0.072 0.000 1.044 616 V CB -0.453 31.298 31.823 -0.119 0.000 0.820 616 V HN 0.398 nan 8.190 nan 0.000 0.444 617 S N 1.549 117.220 115.700 -0.049 0.000 2.563 617 S HA 0.393 4.858 4.470 -0.009 0.000 0.294 617 S C 1.508 176.094 174.600 -0.024 0.000 1.279 617 S CA 1.423 59.603 58.200 -0.034 0.000 1.069 617 S CB -0.045 63.139 63.200 -0.027 0.000 0.828 617 S HN 2.203 nan 8.310 nan 0.000 0.497 618 G N 3.516 112.307 108.800 -0.015 0.000 2.258 618 G HA2 -0.254 3.701 3.960 -0.009 0.000 0.233 618 G HA3 -0.254 3.701 3.960 -0.009 0.000 0.233 618 G C 0.591 175.489 174.900 -0.003 0.000 1.006 618 G CA 0.365 45.461 45.100 -0.006 0.000 0.620 618 G HN 0.956 nan 8.290 nan 0.000 0.511 619 L N 1.723 122.938 121.223 -0.013 0.000 2.072 619 L HA 0.173 4.508 4.340 -0.009 0.000 0.205 619 L C 2.889 179.765 176.870 0.010 0.000 1.079 619 L CA 3.397 58.233 54.840 -0.007 0.000 0.752 619 L CB -1.045 40.998 42.059 -0.027 0.000 0.906 619 L HN 0.339 nan 8.230 nan 0.000 0.436 620 T N -0.812 113.741 114.554 -0.001 0.000 2.635 620 T HA -0.292 4.052 4.350 -0.009 0.000 0.267 620 T C 1.738 176.463 174.700 0.042 0.000 1.040 620 T CA 1.847 63.956 62.100 0.015 0.000 1.156 620 T CB -0.365 68.506 68.868 0.005 0.000 0.863 620 T HN 0.478 nan 8.240 nan 0.000 0.430 621 E N 0.737 120.968 120.200 0.050 0.000 2.153 621 E HA -0.158 4.187 4.350 -0.009 0.000 0.194 621 E C 2.526 179.204 176.600 0.129 0.000 0.988 621 E CA 0.741 57.198 56.400 0.095 0.000 0.811 621 E CB 0.047 29.809 29.700 0.105 0.000 0.746 621 E HN 0.288 nan 8.360 nan 0.000 0.466 622 R N 0.123 120.670 120.500 0.080 0.000 2.073 622 R HA -0.118 4.217 4.340 -0.009 0.000 0.234 622 R C 2.464 178.822 176.300 0.096 0.000 1.134 622 R CA 1.416 57.551 56.100 0.058 0.000 0.952 622 R CB -0.394 29.913 30.300 0.012 0.000 0.850 622 R HN 0.334 nan 8.270 nan 0.000 0.433 623 I N 0.928 121.582 120.570 0.140 0.000 2.179 623 I HA -0.319 3.846 4.170 -0.009 0.000 0.242 623 I C 2.677 179.000 176.117 0.344 0.000 1.088 623 I CA 1.324 62.793 61.300 0.282 0.000 1.357 623 I CB -0.383 37.720 38.000 0.172 0.000 1.051 623 I HN 0.167 nan 8.210 nan 0.000 0.409 624 K N 0.461 120.936 120.400 0.126 0.000 2.034 624 K HA -0.252 4.063 4.320 -0.009 0.000 0.214 624 K C 2.100 178.681 176.600 -0.032 0.000 1.051 624 K CA 1.851 58.122 56.287 -0.027 0.000 0.931 624 K CB -0.140 32.231 32.500 -0.215 0.000 0.715 624 K HN 0.438 nan 8.250 nan 0.000 0.446 625 H N -1.551 117.619 119.070 0.167 0.000 2.562 625 H HA 0.128 4.679 4.556 -0.009 0.000 0.267 625 H C 0.907 176.176 175.328 -0.098 0.000 0.959 625 H CA 0.868 56.968 56.048 0.087 0.000 1.204 625 H CB 0.689 30.450 29.762 -0.001 0.000 1.430 625 H HN 0.561 nan 8.280 nan 0.000 0.545 626 G N 1.740 110.448 108.800 -0.153 0.000 2.272 626 G HA2 -0.231 3.724 3.960 -0.009 0.000 0.280 626 G HA3 -0.231 3.724 3.960 -0.009 0.000 0.280 626 G C 0.351 174.813 174.900 -0.731 0.000 1.067 626 G CA 0.606 45.000 45.100 -1.175 0.000 0.902 626 G HN 0.477 nan 8.290 nan 0.000 0.500 627 V N -4.630 115.078 119.914 -0.343 0.000 3.141 627 V HA 0.871 4.986 4.120 -0.009 0.000 0.312 627 V C 0.382 176.363 176.094 -0.189 0.000 1.157 627 V CA -1.873 60.276 62.300 -0.251 0.000 1.041 627 V CB 1.642 33.357 31.823 -0.179 0.000 1.071 627 V HN 0.277 nan 8.190 nan 0.000 0.441 628 K N 0.300 120.589 120.400 -0.186 0.000 2.168 628 K HA 0.256 4.571 4.320 -0.009 0.000 0.258 628 K C 1.117 177.625 176.600 -0.153 0.000 1.010 628 K CA 0.272 56.465 56.287 -0.157 0.000 0.929 628 K CB 1.146 33.543 32.500 -0.172 0.000 0.998 628 K HN 0.940 nan 8.250 nan 0.000 0.479 629 E N 2.114 122.243 120.200 -0.117 0.000 2.114 629 E HA -0.302 4.043 4.350 -0.009 0.000 0.199 629 E C 1.409 177.931 176.600 -0.130 0.000 1.008 629 E CA 2.101 58.442 56.400 -0.098 0.000 0.810 629 E CB 0.098 29.757 29.700 -0.068 0.000 0.739 629 E HN 0.658 nan 8.360 nan 0.000 0.456 630 E N -0.036 120.047 120.200 -0.194 0.000 2.219 630 E HA -0.222 4.123 4.350 -0.009 0.000 0.198 630 E C 1.726 178.147 176.600 -0.297 0.000 0.998 630 E CA 1.008 57.252 56.400 -0.259 0.000 0.818 630 E CB -0.191 29.228 29.700 -0.467 0.000 0.741 630 E HN 0.289 nan 8.360 nan 0.000 0.477 631 L N 0.940 121.979 121.223 -0.306 0.000 2.554 631 L HA 0.089 4.424 4.340 -0.009 0.000 0.226 631 L C 2.104 178.886 176.870 -0.147 0.000 1.137 631 L CA 0.589 55.296 54.840 -0.222 0.000 0.863 631 L CB -0.356 41.567 42.059 -0.228 0.000 0.985 631 L HN 0.189 nan 8.230 nan 0.000 0.451 632 L N -0.676 120.475 121.223 -0.121 0.000 2.043 632 L HA -0.282 4.053 4.340 -0.009 0.000 0.212 632 L C 2.333 179.145 176.870 -0.098 0.000 1.075 632 L CA 1.522 56.302 54.840 -0.100 0.000 0.752 632 L CB -0.413 41.617 42.059 -0.048 0.000 0.891 632 L HN 0.391 nan 8.230 nan 0.000 0.432 633 E N -0.197 119.969 120.200 -0.056 0.000 2.150 633 E HA -0.178 4.167 4.350 -0.009 0.000 0.193 633 E C 2.336 178.908 176.600 -0.046 0.000 0.985 633 E CA 0.849 57.228 56.400 -0.035 0.000 0.814 633 E CB -0.007 29.692 29.700 -0.002 0.000 0.752 633 E HN 0.506 nan 8.360 nan 0.000 0.466 634 L N 0.530 121.722 121.223 -0.052 0.000 2.095 634 L HA -0.106 4.229 4.340 -0.009 0.000 0.204 634 L C 2.547 179.352 176.870 -0.108 0.000 1.080 634 L CA 0.613 55.423 54.840 -0.049 0.000 0.759 634 L CB -0.301 41.749 42.059 -0.014 0.000 0.914 634 L HN 0.112 nan 8.230 nan 0.000 0.439 635 V N -3.069 116.717 119.914 -0.213 0.000 2.970 635 V HA -0.131 3.984 4.120 -0.009 0.000 0.260 635 V C 2.292 178.126 176.094 -0.433 0.000 1.100 635 V CA 1.007 63.074 62.300 -0.388 0.000 1.122 635 V CB -0.868 30.540 31.823 -0.693 0.000 0.721 635 V HN 0.361 nan 8.190 nan 0.000 0.483 636 R N 0.385 120.725 120.500 -0.266 0.000 2.148 636 R HA 0.222 4.557 4.340 -0.009 0.000 0.227 636 R C 0.730 177.001 176.300 -0.048 0.000 1.103 636 R CA 0.676 56.712 56.100 -0.107 0.000 0.983 636 R CB -0.317 29.957 30.300 -0.044 0.000 0.874 636 R HN 0.457 nan 8.270 nan 0.000 0.451 637 I N 1.928 122.466 120.570 -0.054 0.000 2.556 637 I HA -0.015 4.150 4.170 -0.009 0.000 0.284 637 I C 0.935 177.041 176.117 -0.019 0.000 1.114 637 I CA -0.164 61.127 61.300 -0.015 0.000 1.418 637 I CB 0.526 38.527 38.000 0.001 0.000 1.394 637 I HN 0.093 nan 8.210 nan 0.000 0.552 638 R N 5.567 126.051 120.500 -0.025 0.000 2.679 638 R HA -0.041 4.294 4.340 -0.009 0.000 0.268 638 R C 0.455 176.700 176.300 -0.092 0.000 1.044 638 R CA 0.225 56.238 56.100 -0.146 0.000 1.105 638 R CB 0.209 30.373 30.300 -0.226 0.000 0.989 638 R HN 0.786 nan 8.270 nan 0.000 0.447 639 H N 0.511 119.599 119.070 0.029 0.000 3.898 639 H HA -0.185 4.366 4.556 -0.009 0.000 0.171 639 H C -0.361 174.979 175.328 0.019 0.000 0.920 639 H CA 1.183 57.246 56.048 0.025 0.000 1.238 639 H CB -0.915 28.858 29.762 0.019 0.000 0.997 639 H HN 0.375 nan 8.280 nan 0.000 0.380 640 I N 2.101 122.717 120.570 0.077 0.000 2.306 640 I HA 0.371 4.536 4.170 -0.009 0.000 0.288 640 I C 1.485 177.605 176.117 0.005 0.000 1.036 640 I CA 0.352 61.673 61.300 0.035 0.000 1.221 640 I CB 0.904 38.907 38.000 0.005 0.000 1.385 640 I HN 0.235 nan 8.210 nan 0.000 0.472 641 G N 6.407 115.224 108.800 0.028 0.000 2.695 641 G HA2 0.362 4.317 3.960 -0.009 0.000 0.213 641 G HA3 0.362 4.317 3.960 -0.009 0.000 0.213 641 G C 0.973 175.867 174.900 -0.010 0.000 1.406 641 G CA -0.334 44.788 45.100 0.038 0.000 1.049 641 G HN 0.570 nan 8.290 nan 0.000 0.573 642 R N -1.177 119.313 120.500 -0.016 0.000 2.119 642 R HA 0.103 4.438 4.340 -0.009 0.000 0.222 642 R C 2.133 178.396 176.300 -0.062 0.000 1.088 642 R CA 0.793 56.843 56.100 -0.084 0.000 0.984 642 R CB -0.768 29.425 30.300 -0.178 0.000 0.884 642 R HN 0.231 nan 8.270 nan 0.000 0.447 643 V N 1.488 121.387 119.914 -0.024 0.000 2.302 643 V HA -0.100 4.015 4.120 -0.009 0.000 0.243 643 V C 2.355 178.448 176.094 -0.001 0.000 1.036 643 V CA 1.541 63.834 62.300 -0.011 0.000 1.020 643 V CB -0.461 31.367 31.823 0.008 0.000 0.657 643 V HN 0.236 nan 8.190 nan 0.000 0.453 644 R N 0.248 120.753 120.500 0.009 0.000 2.120 644 R HA -0.095 4.240 4.340 -0.009 0.000 0.234 644 R C 2.384 178.691 176.300 0.011 0.000 1.123 644 R CA 1.343 57.452 56.100 0.015 0.000 0.975 644 R CB -0.541 29.774 30.300 0.026 0.000 0.866 644 R HN 0.540 nan 8.270 nan 0.000 0.446 645 A N 1.153 123.971 122.820 -0.003 0.000 1.902 645 A HA -0.201 4.113 4.320 -0.009 0.000 0.217 645 A C 2.143 179.742 177.584 0.025 0.000 1.181 645 A CA 1.467 53.501 52.037 -0.005 0.000 0.623 645 A CB -0.346 18.622 19.000 -0.053 0.000 0.818 645 A HN 0.133 nan 8.150 nan 0.000 0.443 646 R N -0.173 120.327 120.500 0.000 0.000 2.066 646 R HA -0.110 4.225 4.340 -0.009 0.000 0.232 646 R C 2.111 178.446 176.300 0.058 0.000 1.131 646 R CA 1.958 58.072 56.100 0.023 0.000 0.955 646 R CB -0.351 29.938 30.300 -0.017 0.000 0.851 646 R HN 0.343 nan 8.270 nan 0.000 0.432 647 K N 0.301 120.719 120.400 0.030 0.000 2.044 647 K HA -0.124 4.191 4.320 -0.009 0.000 0.210 647 K C 1.817 178.434 176.600 0.028 0.000 1.049 647 K CA 1.878 58.180 56.287 0.025 0.000 0.927 647 K CB -0.419 32.090 32.500 0.015 0.000 0.713 647 K HN 0.247 nan 8.250 nan 0.000 0.443 648 L N -1.219 120.025 121.223 0.034 0.000 2.007 648 L HA -0.149 4.186 4.340 -0.009 0.000 0.205 648 L C 2.299 179.179 176.870 0.017 0.000 1.073 648 L CA 1.584 56.435 54.840 0.018 0.000 0.744 648 L CB -0.804 41.265 42.059 0.017 0.000 0.898 648 L HN 0.199 nan 8.230 nan 0.000 0.435 649 Y N 1.438 121.709 120.300 -0.048 0.000 2.139 649 Y HA -0.332 4.213 4.550 -0.009 0.000 0.282 649 Y C 2.268 178.141 175.900 -0.045 0.000 1.179 649 Y CA 2.079 60.148 58.100 -0.051 0.000 1.161 649 Y CB -0.470 37.960 38.460 -0.051 0.000 0.970 649 Y HN 0.243 nan 8.280 nan 0.000 0.511 650 N N -0.607 118.150 118.700 0.095 0.000 2.520 650 N HA -0.044 4.691 4.740 -0.009 0.000 0.185 650 N C 0.942 176.416 175.510 -0.060 0.000 1.068 650 N CA 0.379 53.447 53.050 0.029 0.000 0.911 650 N CB -0.128 38.400 38.487 0.067 0.000 0.961 650 N HN 0.353 nan 8.380 nan 0.000 0.446 651 A N -0.099 122.675 122.820 -0.076 0.000 2.545 651 A HA 0.491 4.806 4.320 -0.009 0.000 0.277 651 A C 1.403 178.908 177.584 -0.131 0.000 1.301 651 A CA 0.289 52.278 52.037 -0.079 0.000 0.935 651 A CB -0.165 18.807 19.000 -0.046 0.000 1.093 651 A HN 0.265 nan 8.150 nan 0.000 0.519 652 G N -0.398 108.275 108.800 -0.212 0.000 2.347 652 G HA2 -0.261 3.694 3.960 -0.009 0.000 0.247 652 G HA3 -0.261 3.694 3.960 -0.009 0.000 0.247 652 G C 0.114 174.855 174.900 -0.265 0.000 1.037 652 G CA 0.368 45.322 45.100 -0.244 0.000 0.622 652 G HN 0.492 nan 8.290 nan 0.000 0.521 653 I N 1.463 121.901 120.570 -0.220 0.000 2.436 653 I HA 0.432 4.596 4.170 -0.009 0.000 0.289 653 I C 1.275 177.309 176.117 -0.137 0.000 1.083 653 I CA 0.397 61.579 61.300 -0.197 0.000 1.372 653 I CB 1.143 39.062 38.000 -0.134 0.000 1.408 653 I HN 0.198 nan 8.210 nan 0.000 0.516 654 R N 4.627 125.058 120.500 -0.116 0.000 2.615 654 R HA 0.312 4.647 4.340 -0.009 0.000 0.448 654 R C -0.874 175.438 176.300 0.021 0.000 1.009 654 R CA -0.547 55.546 56.100 -0.011 0.000 1.111 654 R CB -0.079 30.183 30.300 -0.064 0.000 1.461 654 R HN 0.881 nan 8.270 nan 0.000 0.587 655 N N -2.791 115.904 118.700 -0.008 0.000 3.951 655 N HA 0.079 4.813 4.740 -0.009 0.000 0.222 655 N C 0.084 175.591 175.510 -0.005 0.000 1.352 655 N CA -0.213 52.837 53.050 -0.001 0.000 0.852 655 N CB 0.142 38.629 38.487 -0.000 0.000 1.444 655 N HN -0.137 nan 8.380 nan 0.000 0.473 656 A N -0.008 122.815 122.820 0.005 0.000 1.917 656 A HA -0.241 4.074 4.320 -0.009 0.000 0.219 656 A C 1.781 179.375 177.584 0.018 0.000 1.182 656 A CA 2.251 54.295 52.037 0.013 0.000 0.633 656 A CB -1.121 17.888 19.000 0.016 0.000 0.819 656 A HN 0.829 nan 8.150 nan 0.000 0.448 657 E N -0.190 120.020 120.200 0.016 0.000 2.038 657 E HA -0.265 4.080 4.350 -0.009 0.000 0.195 657 E C 1.421 178.045 176.600 0.041 0.000 1.000 657 E CA 1.568 57.985 56.400 0.028 0.000 0.803 657 E CB -0.206 29.508 29.700 0.023 0.000 0.750 657 E HN 0.565 nan 8.360 nan 0.000 0.448 658 D N 0.471 120.864 120.400 -0.010 0.000 2.182 658 D HA -0.173 4.462 4.640 -0.009 0.000 0.201 658 D C 1.961 178.234 176.300 -0.046 0.000 0.986 658 D CA 0.975 54.914 54.000 -0.102 0.000 0.847 658 D CB -0.223 40.452 40.800 -0.208 0.000 0.942 658 D HN 0.351 nan 8.370 nan 0.000 0.467 659 I N 0.093 120.660 120.570 -0.005 0.000 2.315 659 I HA -0.196 3.969 4.170 -0.009 0.000 0.248 659 I C 2.224 178.383 176.117 0.070 0.000 1.117 659 I CA 0.555 61.870 61.300 0.024 0.000 1.404 659 I CB -0.078 37.933 38.000 0.019 0.000 1.071 659 I HN -0.071 nan 8.210 nan 0.000 0.419 660 V N 0.763 120.721 119.914 0.074 0.000 2.283 660 V HA -0.197 3.918 4.120 -0.009 0.000 0.243 660 V C 2.372 178.522 176.094 0.094 0.000 1.039 660 V CA 1.644 63.986 62.300 0.070 0.000 1.016 660 V CB -0.647 31.206 31.823 0.050 0.000 0.650 660 V HN 0.333 nan 8.190 nan 0.000 0.449 661 R N -0.634 119.960 120.500 0.157 0.000 2.341 661 R HA -0.095 4.240 4.340 -0.009 0.000 0.213 661 R C 0.536 176.818 176.300 -0.031 0.000 1.082 661 R CA 0.881 57.047 56.100 0.110 0.000 1.017 661 R CB -0.117 30.283 30.300 0.166 0.000 0.860 661 R HN 0.671 nan 8.270 nan 0.000 0.473 662 H N -1.797 117.268 119.070 -0.008 0.000 2.767 662 H HA 0.195 4.746 4.556 -0.009 0.000 0.235 662 H C 0.728 176.052 175.328 -0.008 0.000 1.256 662 H CA -0.562 55.481 56.048 -0.010 0.000 0.957 662 H CB 0.219 29.972 29.762 -0.014 0.000 2.117 662 H HN -0.077 nan 8.280 nan 0.000 0.602 663 R N 1.128 121.678 120.500 0.084 0.000 2.154 663 R HA -0.176 4.159 4.340 -0.009 0.000 0.248 663 R C 0.987 177.308 176.300 0.036 0.000 1.155 663 R CA 1.466 57.595 56.100 0.049 0.000 0.979 663 R CB 0.259 30.575 30.300 0.026 0.000 0.869 663 R HN 0.356 nan 8.270 nan 0.000 0.452 664 E N 0.410 120.627 120.200 0.028 0.000 2.106 664 E HA -0.172 4.173 4.350 -0.009 0.000 0.192 664 E C 1.820 178.436 176.600 0.027 0.000 0.984 664 E CA 0.887 57.298 56.400 0.018 0.000 0.806 664 E CB -0.074 29.627 29.700 0.003 0.000 0.750 664 E HN 0.367 nan 8.360 nan 0.000 0.458 665 K N 0.782 121.213 120.400 0.051 0.000 2.031 665 K HA -0.081 4.234 4.320 -0.009 0.000 0.205 665 K C 2.163 178.783 176.600 0.035 0.000 1.049 665 K CA 0.917 57.234 56.287 0.050 0.000 0.939 665 K CB 0.037 32.588 32.500 0.086 0.000 0.717 665 K HN -0.115 nan 8.250 nan 0.000 0.438 666 V N 1.823 121.761 119.914 0.041 0.000 2.231 666 V HA -0.342 3.773 4.120 -0.009 0.000 0.250 666 V C 2.495 178.598 176.094 0.016 0.000 1.058 666 V CA 2.267 64.582 62.300 0.025 0.000 1.022 666 V CB -0.949 30.891 31.823 0.029 0.000 0.640 666 V HN 0.560 nan 8.190 nan 0.000 0.445 667 A N -0.627 122.202 122.820 0.015 0.000 1.986 667 A HA -0.282 4.033 4.320 -0.009 0.000 0.220 667 A C 2.554 180.142 177.584 0.007 0.000 1.171 667 A CA 2.526 54.568 52.037 0.008 0.000 0.640 667 A CB -0.733 18.270 19.000 0.005 0.000 0.811 667 A HN 0.601 nan 8.150 nan 0.000 0.451 668 S N -0.716 114.990 115.700 0.009 0.000 2.371 668 S HA -0.030 4.435 4.470 -0.009 0.000 0.224 668 S C 1.941 176.545 174.600 0.007 0.000 1.029 668 S CA 1.194 59.399 58.200 0.007 0.000 0.978 668 S CB -0.429 62.776 63.200 0.008 0.000 0.833 668 S HN 0.494 nan 8.310 nan 0.000 0.466 669 L N 1.091 122.318 121.223 0.008 0.000 2.044 669 L HA 0.097 4.432 4.340 -0.009 0.000 0.205 669 L C 2.376 179.251 176.870 0.008 0.000 1.075 669 L CA 1.638 56.483 54.840 0.007 0.000 0.747 669 L CB -0.420 41.643 42.059 0.005 0.000 0.903 669 L HN 0.528 nan 8.230 nan 0.000 0.435 670 I N -3.858 116.717 120.570 0.009 0.000 4.057 670 I HA 0.500 4.665 4.170 -0.009 0.000 0.334 670 I C 0.579 176.700 176.117 0.007 0.000 1.308 670 I CA 0.084 61.390 61.300 0.010 0.000 1.125 670 I CB 0.580 38.589 38.000 0.014 0.000 1.034 670 I HN 0.120 nan 8.210 nan 0.000 0.401 671 G N 1.823 110.626 108.800 0.004 0.000 2.627 671 G HA2 -0.107 3.848 3.960 -0.009 0.000 0.680 671 G HA3 -0.107 3.848 3.960 -0.009 0.000 0.680 671 G C -0.159 174.737 174.900 -0.005 0.000 1.341 671 G CA -0.264 44.835 45.100 -0.001 0.000 0.835 671 G HN 0.209 nan 8.290 nan 0.000 0.643 672 R N 1.129 121.625 120.500 -0.006 0.000 2.070 672 R HA 0.042 4.376 4.340 -0.009 0.000 0.232 672 R C 2.863 179.153 176.300 -0.018 0.000 1.138 672 R CA 3.329 59.423 56.100 -0.009 0.000 0.936 672 R CB -0.977 29.319 30.300 -0.008 0.000 0.839 672 R HN 1.141 nan 8.270 nan 0.000 0.429 673 G N 0.763 109.550 108.800 -0.021 0.000 2.739 673 G HA2 -0.309 3.646 3.960 -0.009 0.000 0.216 673 G HA3 -0.309 3.646 3.960 -0.009 0.000 0.216 673 G C 1.333 176.202 174.900 -0.052 0.000 1.298 673 G CA 1.468 46.549 45.100 -0.033 0.000 0.804 673 G HN 0.279 nan 8.290 nan 0.000 0.623 674 I N 2.252 122.791 120.570 -0.051 0.000 2.093 674 I HA -0.316 3.849 4.170 -0.009 0.000 0.239 674 I C 3.324 179.402 176.117 -0.066 0.000 1.026 674 I CA 2.014 63.271 61.300 -0.071 0.000 1.295 674 I CB -0.967 37.017 38.000 -0.026 0.000 1.007 674 I HN 0.300 nan 8.210 nan 0.000 0.401 675 A N -0.313 122.489 122.820 -0.030 0.000 1.929 675 A HA -0.361 3.954 4.320 -0.009 0.000 0.221 675 A C 2.242 179.812 177.584 -0.023 0.000 1.211 675 A CA 2.570 54.598 52.037 -0.015 0.000 0.657 675 A CB -0.975 18.022 19.000 -0.004 0.000 0.827 675 A HN 0.631 nan 8.150 nan 0.000 0.462 676 E N -1.327 118.852 120.200 -0.035 0.000 2.017 676 E HA -0.233 4.112 4.350 -0.009 0.000 0.193 676 E C 2.315 178.882 176.600 -0.054 0.000 0.997 676 E CA 1.323 57.703 56.400 -0.035 0.000 0.804 676 E CB -0.226 29.453 29.700 -0.035 0.000 0.757 676 E HN 0.618 nan 8.360 nan 0.000 0.448 677 R N 1.084 121.517 120.500 -0.110 0.000 2.112 677 R HA -0.208 4.127 4.340 -0.009 0.000 0.242 677 R C 2.242 178.454 176.300 -0.146 0.000 1.137 677 R CA 1.757 57.736 56.100 -0.201 0.000 0.944 677 R CB -0.660 29.398 30.300 -0.404 0.000 0.857 677 R HN 0.023 nan 8.270 nan 0.000 0.435 678 V N -0.134 119.720 119.914 -0.100 0.000 2.233 678 V HA -0.286 3.829 4.120 -0.009 0.000 0.247 678 V C 2.370 178.498 176.094 0.057 0.000 1.050 678 V CA 2.098 64.429 62.300 0.051 0.000 1.010 678 V CB -0.528 31.324 31.823 0.049 0.000 0.637 678 V HN 0.289 nan 8.190 nan 0.000 0.444 679 V N -0.125 119.804 119.914 0.024 0.000 2.332 679 V HA -0.326 3.789 4.120 -0.009 0.000 0.248 679 V C 2.438 178.550 176.094 0.030 0.000 1.055 679 V CA 2.331 64.647 62.300 0.027 0.000 1.038 679 V CB -0.811 31.022 31.823 0.017 0.000 0.651 679 V HN 0.680 nan 8.190 nan 0.000 0.450 680 E N 0.629 120.840 120.200 0.019 0.000 2.097 680 E HA -0.233 4.112 4.350 -0.009 0.000 0.196 680 E C 2.272 178.900 176.600 0.048 0.000 1.000 680 E CA 1.635 58.049 56.400 0.023 0.000 0.804 680 E CB -0.423 29.281 29.700 0.007 0.000 0.740 680 E HN 0.617 nan 8.360 nan 0.000 0.454 681 G N 1.391 110.239 108.800 0.079 0.000 2.402 681 G HA2 -0.188 3.766 3.960 -0.009 0.000 0.216 681 G HA3 -0.188 3.766 3.960 -0.009 0.000 0.216 681 G C 1.543 176.484 174.900 0.067 0.000 1.162 681 G CA 0.810 45.971 45.100 0.100 0.000 0.777 681 G HN 0.202 nan 8.290 nan 0.000 0.539 682 I N 2.753 123.359 120.570 0.060 0.000 2.091 682 I HA -0.250 3.915 4.170 -0.009 0.000 0.239 682 I C 3.143 179.282 176.117 0.035 0.000 1.061 682 I CA 2.034 63.360 61.300 0.043 0.000 1.317 682 I CB -1.757 36.266 38.000 0.038 0.000 1.031 682 I HN 0.373 nan 8.210 nan 0.000 0.401 683 S N 1.141 116.861 115.700 0.033 0.000 2.402 683 S HA -0.146 4.319 4.470 -0.009 0.000 0.233 683 S C 2.072 176.689 174.600 0.027 0.000 1.030 683 S CA 1.601 59.817 58.200 0.027 0.000 1.003 683 S CB -1.270 61.945 63.200 0.024 0.000 0.813 683 S HN 0.288 nan 8.310 nan 0.000 0.477 684 V N 2.474 122.407 119.914 0.032 0.000 2.221 684 V HA -0.123 3.992 4.120 -0.009 0.000 0.242 684 V C 2.620 178.731 176.094 0.028 0.000 1.041 684 V CA 2.047 64.365 62.300 0.031 0.000 0.995 684 V CB -0.682 31.163 31.823 0.037 0.000 0.635 684 V HN 0.480 nan 8.190 nan 0.000 0.448 685 K N 0.141 120.559 120.400 0.030 0.000 2.442 685 K HA -0.035 4.280 4.320 -0.009 0.000 0.198 685 K C 1.346 177.960 176.600 0.024 0.000 1.044 685 K CA 0.592 56.895 56.287 0.027 0.000 0.948 685 K CB -0.070 32.446 32.500 0.028 0.000 0.762 685 K HN 0.419 nan 8.250 nan 0.000 0.472 686 S N 0.000 115.714 115.700 0.024 0.000 2.498 686 S HA 0.000 4.465 4.470 -0.009 0.000 0.327 686 S CA 0.000 58.213 58.200 0.022 0.000 1.107 686 S CB 0.000 63.213 63.200 0.022 0.000 0.593 686 S HN 0.000 nan 8.310 nan 0.000 0.517