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 1l1l_1_A DATA FIRST_RESID 4 DATA SEQUENCE EISLSAEFID RVKASVKPHW GKLGWVTYKR TYARWLPEKG RSENWDETVK DATA SEQUENCE RVVEGNINLD PRLQDSPSLE LKQSLTEEAE RLYKLIYGLG ATPSGRNLWI DATA SEQUENCE SGTDYQRRTG DSLNNcWFVA IRPQKYGDSK IVPSYLGKQE KAVSMPFSFL DATA SEQUENCE FDELMKGGGV GFSVARSNIS QIPRVDFAID LQLVVDETSE SYDASVKVGA DATA SEQUENCE VGKNELVQDA DSIYYRLPDT REGWVLANAL LIDLHFAQTN PDRKQKLILD DATA SEQUENCE LSDIRPYGAE IHGFGGTASG PMPLISMLLD VNEVLNNKAG GRLTAVDAAD DATA SEQUENCE ICNLIGKAVV AGNXXXXAEL ALGSNDDQDF ISMKQDQEKL MHHRWASNNS DATA SEQUENCE VAVDSAFSGY QPIAAGIREN GEPGIVNLDL SKNYGRIVDG YQAGIDGDVE DATA SEQUENCE GTNPCGEISL ANGEPcNLFE VFPLIAEEQG WDLQEVFALA ARYAKRVTFS DATA SEQUENCE PYDWEISREI IQKNRRIGIS MSGIQDWLLT RLGNRVVTGF KDDFDPETHE DATA SEQUENCE AIKVPVYDKR AIKMVDQLYK AVVKADQDYS KTLGCNESIK HTTVKPSGTV DATA SEQUENCE AKLAGASEGM HFHYGAYLIQ RIRFQDSDPL LPALKACGYR TEADIYTENT DATA SEQUENCE TCVEFPIKAV GADNPNFASA GTVSIAEQFA TQAFLQTYWS DNAVSCTITF DATA SEQUENCE QDSEGDQVES LLRQYRFITK STSLLPYFGG SLQQAPKEPI DKETYEKRSQ DATA SEQUENCE EITGNVEEVF SQLNSDVKDL E 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.582 176.600 -0.030 0.000 1.382 4 E CA 0.000 56.383 56.400 -0.028 0.000 0.976 4 E CB 0.000 29.686 29.700 -0.023 0.000 0.812 5 I N 2.316 122.866 120.570 -0.033 0.000 2.648 5 I HA 0.514 4.684 4.170 -0.001 0.000 0.284 5 I C 0.995 177.092 176.117 -0.032 0.000 1.153 5 I CA 0.338 61.615 61.300 -0.038 0.000 1.426 5 I CB 0.416 38.391 38.000 -0.042 0.000 1.381 5 I HN 0.891 nan 8.210 nan 0.000 0.571 6 S N 6.205 121.881 115.700 -0.040 0.000 2.596 6 S HA 0.722 5.191 4.470 -0.001 0.000 0.270 6 S C -0.968 173.602 174.600 -0.050 0.000 1.155 6 S CA -1.069 57.113 58.200 -0.030 0.000 0.827 6 S CB 1.792 64.979 63.200 -0.022 0.000 1.130 6 S HN 0.370 nan 8.310 nan 0.000 0.467 7 L N 2.484 123.688 121.223 -0.032 0.000 2.309 7 L HA 0.640 4.980 4.340 -0.001 0.000 0.282 7 L C 0.610 177.470 176.870 -0.016 0.000 1.036 7 L CA -0.656 54.158 54.840 -0.043 0.000 0.806 7 L CB 1.959 44.014 42.059 -0.007 0.000 1.220 7 L HN 0.962 nan 8.230 nan 0.000 0.429 8 S N 1.306 117.007 115.700 0.002 0.000 2.632 8 S HA 0.447 4.917 4.470 -0.001 0.000 0.271 8 S C 0.993 175.599 174.600 0.011 0.000 1.260 8 S CA -0.177 58.029 58.200 0.009 0.000 1.010 8 S CB 1.790 64.996 63.200 0.010 0.000 0.965 8 S HN 0.704 nan 8.310 nan 0.000 0.534 9 A N 0.880 123.693 122.820 -0.013 0.000 1.933 9 A HA -0.108 4.212 4.320 -0.001 0.000 0.218 9 A C 2.079 179.635 177.584 -0.047 0.000 1.175 9 A CA 1.706 53.722 52.037 -0.035 0.000 0.628 9 A CB -1.129 17.857 19.000 -0.023 0.000 0.814 9 A HN 1.019 nan 8.150 nan 0.000 0.444 10 E N -1.326 118.865 120.200 -0.014 0.000 2.085 10 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 10 E C 1.725 178.315 176.600 -0.017 0.000 0.994 10 E CA 1.487 57.880 56.400 -0.012 0.000 0.801 10 E CB -0.255 29.451 29.700 0.011 0.000 0.743 10 E HN 0.631 nan 8.360 nan 0.000 0.453 11 F N 1.100 120.969 119.950 -0.135 0.000 2.146 11 F HA -0.080 4.447 4.527 -0.001 0.000 0.298 11 F C 1.839 177.487 175.800 -0.254 0.000 1.096 11 F CA 1.228 59.123 58.000 -0.174 0.000 1.275 11 F CB -0.226 38.661 39.000 -0.189 0.000 1.008 11 F HN -0.014 nan 8.300 nan 0.000 0.480 12 I N 0.525 120.803 120.570 -0.487 0.000 2.127 12 I HA -0.337 3.833 4.170 -0.001 0.000 0.241 12 I C 2.131 177.961 176.117 -0.479 0.000 1.075 12 I CA 1.759 62.663 61.300 -0.660 0.000 1.334 12 I CB -0.756 37.004 38.000 -0.399 0.000 1.040 12 I HN 0.084 nan 8.210 nan 0.000 0.405 13 D N 0.512 120.747 120.400 -0.274 0.000 2.190 13 D HA -0.212 4.427 4.640 -0.001 0.000 0.200 13 D C 2.274 178.456 176.300 -0.197 0.000 0.992 13 D CA 1.285 55.179 54.000 -0.177 0.000 0.854 13 D CB -0.246 40.495 40.800 -0.099 0.000 0.936 13 D HN 0.282 nan 8.370 nan 0.000 0.462 14 R N 0.208 120.552 120.500 -0.260 0.000 2.075 14 R HA -0.062 4.278 4.340 -0.001 0.000 0.232 14 R C 2.395 178.531 176.300 -0.273 0.000 1.126 14 R CA 0.541 56.507 56.100 -0.224 0.000 0.963 14 R CB -0.130 30.050 30.300 -0.199 0.000 0.858 14 R HN -0.007 nan 8.270 nan 0.000 0.435 15 V N 1.141 120.765 119.914 -0.484 0.000 2.295 15 V HA -0.253 3.866 4.120 -0.001 0.000 0.246 15 V C 1.917 177.862 176.094 -0.248 0.000 1.049 15 V CA 1.827 63.882 62.300 -0.408 0.000 1.024 15 V CB -0.346 31.109 31.823 -0.613 0.000 0.648 15 V HN 0.332 nan 8.190 nan 0.000 0.447 16 K N 0.378 120.592 120.400 -0.310 0.000 2.209 16 K HA -0.106 4.213 4.320 -0.001 0.000 0.204 16 K C 2.169 178.788 176.600 0.032 0.000 1.048 16 K CA 1.396 57.621 56.287 -0.103 0.000 0.940 16 K CB -0.339 32.114 32.500 -0.079 0.000 0.729 16 K HN 0.499 nan 8.250 nan 0.000 0.451 17 A N 0.984 123.786 122.820 -0.030 0.000 1.970 17 A HA -0.083 4.237 4.320 -0.001 0.000 0.216 17 A C 2.035 179.633 177.584 0.024 0.000 1.170 17 A CA 1.621 53.660 52.037 0.003 0.000 0.645 17 A CB -0.122 18.863 19.000 -0.025 0.000 0.816 17 A HN 0.334 nan 8.150 nan 0.000 0.447 18 S N -1.983 113.726 115.700 0.014 0.000 2.526 18 S HA 0.349 4.818 4.470 -0.001 0.000 0.220 18 S C 0.108 174.756 174.600 0.079 0.000 1.017 18 S CA -0.003 58.217 58.200 0.032 0.000 0.930 18 S CB 0.127 63.327 63.200 0.001 0.000 0.856 18 S HN 0.073 nan 8.310 nan 0.000 0.497 19 V N 2.513 122.510 119.914 0.137 0.000 2.417 19 V HA 0.481 4.600 4.120 -0.001 0.000 0.291 19 V C -0.402 175.873 176.094 0.302 0.000 1.024 19 V CA -0.781 61.659 62.300 0.233 0.000 0.861 19 V CB 1.690 33.716 31.823 0.337 0.000 0.985 19 V HN 0.335 nan 8.190 nan 0.000 0.436 20 K N 6.369 126.883 120.400 0.190 0.000 2.316 20 K HA 0.472 4.792 4.320 -0.001 0.000 0.267 20 K C -2.689 173.916 176.600 0.008 0.000 1.025 20 K CA -1.890 54.473 56.287 0.126 0.000 0.896 20 K CB 1.574 34.133 32.500 0.099 0.000 1.124 20 K HN 0.357 nan 8.250 nan 0.000 0.451 21 P HA -0.113 nan 4.420 nan 0.000 0.262 21 P C -0.948 176.119 177.300 -0.387 0.000 1.182 21 P CA 0.167 62.959 63.100 -0.513 0.000 0.761 21 P CB 0.278 31.348 31.700 -1.050 0.000 0.795 22 H N 4.347 123.203 119.070 -0.356 0.000 2.970 22 H HA 0.079 4.634 4.556 -0.001 0.000 0.226 22 H C -0.400 174.828 175.328 -0.165 0.000 1.909 22 H CA -0.398 55.546 56.048 -0.173 0.000 1.388 22 H CB -0.511 29.191 29.762 -0.100 0.000 1.773 22 H HN 0.439 nan 8.280 nan 0.000 0.559 23 W N 1.858 123.103 121.300 -0.092 0.000 2.190 23 W HA 0.261 4.920 4.660 -0.001 0.000 0.330 23 W C 1.152 177.624 176.519 -0.077 0.000 1.299 23 W CA -0.393 56.899 57.345 -0.087 0.000 1.215 23 W CB 0.810 30.236 29.460 -0.057 0.000 1.147 23 W HN 0.485 nan 8.180 nan 0.000 0.563 24 G N 1.783 110.735 108.800 0.253 0.000 2.580 24 G HA2 0.074 4.034 3.960 -0.001 0.000 0.278 24 G HA3 0.074 4.034 3.960 -0.001 0.000 0.278 24 G C 0.748 175.730 174.900 0.136 0.000 1.212 24 G CA -0.611 44.570 45.100 0.135 0.000 0.939 24 G HN 0.428 nan 8.290 nan 0.000 0.513 25 K N -0.497 119.981 120.400 0.129 0.000 2.211 25 K HA -0.042 4.277 4.320 -0.001 0.000 0.204 25 K C 1.969 178.639 176.600 0.117 0.000 1.047 25 K CA 0.946 57.348 56.287 0.193 0.000 0.935 25 K CB -0.228 32.430 32.500 0.263 0.000 0.728 25 K HN 0.445 nan 8.250 nan 0.000 0.452 26 L N -1.412 119.772 121.223 -0.066 0.000 2.693 26 L HA 0.190 4.529 4.340 -0.001 0.000 0.235 26 L C 2.075 178.834 176.870 -0.186 0.000 1.127 26 L CA 0.054 54.696 54.840 -0.331 0.000 0.914 26 L CB -0.158 41.643 42.059 -0.429 0.000 1.193 26 L HN 0.042 nan 8.230 nan 0.000 0.502 27 G N 0.897 109.679 108.800 -0.031 0.000 2.545 27 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.217 27 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.217 27 G C 1.181 175.907 174.900 -0.289 0.000 1.218 27 G CA 0.968 46.093 45.100 0.042 0.000 0.787 27 G HN 0.499 nan 8.290 nan 0.000 0.571 28 W N 1.024 121.798 121.300 -0.877 0.000 2.338 28 W HA -0.124 4.535 4.660 -0.001 0.000 0.304 28 W C 2.664 178.861 176.519 -0.538 0.000 1.212 28 W CA 2.106 58.712 57.345 -1.232 0.000 1.264 28 W CB -0.435 28.350 29.460 -1.125 0.000 1.142 28 W HN 0.061 nan 8.180 nan 0.000 0.512 29 V N 0.264 120.031 119.914 -0.246 0.000 2.287 29 V HA -0.378 3.741 4.120 -0.001 0.000 0.248 29 V C 2.237 178.083 176.094 -0.414 0.000 1.053 29 V CA 2.549 64.668 62.300 -0.302 0.000 1.027 29 V CB -1.553 30.256 31.823 -0.025 0.000 0.646 29 V HN 0.211 nan 8.190 nan 0.000 0.447 30 T N -0.659 113.697 114.554 -0.331 0.000 2.720 30 T HA -0.252 4.098 4.350 -0.001 0.000 0.268 30 T C 1.746 176.258 174.700 -0.313 0.000 1.037 30 T CA 2.230 64.152 62.100 -0.297 0.000 1.144 30 T CB -0.400 68.357 68.868 -0.185 0.000 0.864 30 T HN 0.645 nan 8.240 nan 0.000 0.444 31 Y N 2.451 122.519 120.300 -0.387 0.000 2.145 31 Y HA -0.119 4.430 4.550 -0.001 0.000 0.286 31 Y C 2.135 177.836 175.900 -0.332 0.000 1.145 31 Y CA 1.251 59.202 58.100 -0.248 0.000 1.148 31 Y CB -0.295 37.975 38.460 -0.317 0.000 0.981 31 Y HN -0.102 nan 8.280 nan 0.000 0.507 32 K N 0.921 120.650 120.400 -1.119 0.000 2.103 32 K HA -0.169 4.150 4.320 -0.001 0.000 0.207 32 K C 1.893 178.108 176.600 -0.641 0.000 1.048 32 K CA 2.032 57.663 56.287 -1.093 0.000 0.930 32 K CB -0.435 31.301 32.500 -1.273 0.000 0.716 32 K HN 0.657 nan 8.250 nan 0.000 0.444 33 R N -0.281 119.909 120.500 -0.518 0.000 2.359 33 R HA 0.164 4.503 4.340 -0.001 0.000 0.231 33 R C 0.634 176.693 176.300 -0.402 0.000 0.913 33 R CA 0.438 56.322 56.100 -0.360 0.000 1.075 33 R CB 0.269 30.399 30.300 -0.284 0.000 1.087 33 R HN -0.103 nan 8.270 nan 0.000 0.515 34 T N -1.287 112.962 114.554 -0.508 0.000 3.115 34 T HA 0.150 4.499 4.350 -0.001 0.000 0.256 34 T C 0.634 174.959 174.700 -0.625 0.000 0.970 34 T CA 0.176 61.850 62.100 -0.709 0.000 1.010 34 T CB 0.019 68.258 68.868 -1.049 0.000 1.151 34 T HN 0.248 nan 8.240 nan 0.000 0.479 35 Y N 1.088 121.438 120.300 0.084 0.000 2.453 35 Y HA 0.650 5.199 4.550 -0.001 0.000 0.247 35 Y C 1.138 177.303 175.900 0.440 0.000 1.124 35 Y CA -0.841 57.532 58.100 0.456 0.000 1.243 35 Y CB 0.648 39.426 38.460 0.530 0.000 1.213 35 Y HN 0.116 nan 8.280 nan 0.000 0.523 36 A N 2.090 124.975 122.820 0.108 0.000 2.376 36 A HA 0.357 4.677 4.320 -0.001 0.000 0.298 36 A C 0.158 177.889 177.584 0.245 0.000 1.271 36 A CA -0.458 51.620 52.037 0.068 0.000 0.926 36 A CB -0.105 18.685 19.000 -0.350 0.000 1.141 36 A HN 0.327 nan 8.150 nan 0.000 0.539 37 R N 1.763 122.351 120.500 0.147 0.000 2.615 37 R HA 0.119 4.459 4.340 -0.001 0.000 0.270 37 R C -0.127 176.268 176.300 0.159 0.000 1.081 37 R CA -0.328 55.779 56.100 0.012 0.000 1.154 37 R CB 0.884 31.034 30.300 -0.250 0.000 1.063 37 R HN 0.865 nan 8.270 nan 0.000 0.519 38 W N 4.455 125.774 121.300 0.032 0.000 2.272 38 W HA 0.201 4.860 4.660 -0.001 0.000 0.318 38 W C -1.292 175.249 176.519 0.037 0.000 1.255 38 W CA -0.447 56.932 57.345 0.057 0.000 1.200 38 W CB 0.537 30.039 29.460 0.070 0.000 1.170 38 W HN 0.397 nan 8.180 nan 0.000 0.549 39 L N 9.274 130.053 121.223 -0.740 0.000 2.313 39 L HA 0.193 4.532 4.340 -0.001 0.000 0.273 39 L C -1.560 174.905 176.870 -0.676 0.000 1.028 39 L CA -1.869 52.666 54.840 -0.507 0.000 0.871 39 L CB 1.217 43.076 42.059 -0.334 0.000 1.242 39 L HN 0.225 nan 8.230 nan 0.000 0.434 40 P HA -0.185 nan 4.420 nan 0.000 0.216 40 P C 1.155 178.444 177.300 -0.018 0.000 1.153 40 P CA 1.168 64.295 63.100 0.045 0.000 0.858 40 P CB 0.320 32.129 31.700 0.182 0.000 0.789 41 E N 0.344 120.510 120.200 -0.057 0.000 2.038 41 E HA -0.186 4.163 4.350 -0.001 0.000 0.195 41 E C 1.598 178.160 176.600 -0.063 0.000 1.000 41 E CA 1.397 57.774 56.400 -0.038 0.000 0.803 41 E CB -0.612 29.065 29.700 -0.038 0.000 0.750 41 E HN 0.432 nan 8.360 nan 0.000 0.448 42 K N -0.387 119.933 120.400 -0.134 0.000 2.393 42 K HA 0.127 4.446 4.320 -0.001 0.000 0.193 42 K C 0.817 177.309 176.600 -0.180 0.000 1.026 42 K CA 0.491 56.698 56.287 -0.134 0.000 1.064 42 K CB 0.503 32.925 32.500 -0.131 0.000 0.833 42 K HN 0.220 nan 8.250 nan 0.000 0.521 43 G N 3.230 111.866 108.800 -0.274 0.000 2.295 43 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.287 43 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.287 43 G C -0.259 174.360 174.900 -0.468 0.000 1.055 43 G CA 0.959 45.933 45.100 -0.211 0.000 0.922 43 G HN 0.504 nan 8.290 nan 0.000 0.503 44 R N -2.475 117.386 120.500 -1.066 0.000 2.712 44 R HA 0.701 5.041 4.340 -0.001 0.000 0.272 44 R C -0.043 175.833 176.300 -0.706 0.000 1.032 44 R CA -0.317 55.377 56.100 -0.677 0.000 0.874 44 R CB 0.194 30.392 30.300 -0.170 0.000 1.256 44 R HN 0.785 nan 8.270 nan 0.000 0.468 45 S N -0.056 115.591 115.700 -0.088 0.000 2.632 45 S HA 0.257 4.727 4.470 -0.001 0.000 0.271 45 S C -0.080 174.579 174.600 0.100 0.000 1.260 45 S CA -0.892 57.362 58.200 0.089 0.000 1.010 45 S CB 1.097 64.457 63.200 0.266 0.000 0.965 45 S HN 0.616 nan 8.310 nan 0.000 0.534 46 E N 1.221 121.500 120.200 0.132 0.000 2.442 46 E HA 0.079 4.428 4.350 -0.001 0.000 0.260 46 E C -0.034 176.799 176.600 0.389 0.000 1.148 46 E CA 0.084 56.620 56.400 0.227 0.000 0.976 46 E CB 0.288 30.151 29.700 0.272 0.000 0.967 46 E HN 0.545 nan 8.360 nan 0.000 0.454 47 N N 0.608 119.573 118.700 0.442 0.000 2.459 47 N HA 0.031 4.771 4.740 -0.001 0.000 0.288 47 N C 0.315 176.229 175.510 0.672 0.000 1.186 47 N CA -0.493 52.911 53.050 0.590 0.000 0.917 47 N CB 0.764 39.522 38.487 0.452 0.000 1.219 47 N HN 0.667 nan 8.380 nan 0.000 0.525 48 W N 1.771 123.314 121.300 0.405 0.000 2.315 48 W HA -0.322 4.337 4.660 -0.001 0.000 0.323 48 W C 1.238 177.891 176.519 0.222 0.000 1.233 48 W CA 2.325 59.704 57.345 0.056 0.000 1.267 48 W CB 0.009 29.564 29.460 0.158 0.000 1.160 48 W HN 0.739 nan 8.180 nan 0.000 0.474 49 D N -0.242 120.367 120.400 0.349 0.000 2.172 49 D HA -0.318 4.322 4.640 -0.001 0.000 0.196 49 D C 1.561 177.946 176.300 0.142 0.000 0.999 49 D CA 2.267 56.402 54.000 0.226 0.000 0.856 49 D CB -0.934 40.037 40.800 0.286 0.000 0.934 49 D HN 0.361 nan 8.370 nan 0.000 0.453 50 E N -0.375 119.936 120.200 0.185 0.000 2.072 50 E HA -0.108 4.242 4.350 -0.001 0.000 0.190 50 E C 2.155 178.829 176.600 0.122 0.000 0.982 50 E CA 1.446 57.941 56.400 0.158 0.000 0.803 50 E CB -0.135 29.670 29.700 0.175 0.000 0.755 50 E HN 0.335 nan 8.360 nan 0.000 0.453 51 T N 1.037 115.679 114.554 0.147 0.000 2.674 51 T HA -0.130 4.220 4.350 -0.001 0.000 0.265 51 T C 2.143 176.810 174.700 -0.055 0.000 1.039 51 T CA 1.165 63.349 62.100 0.139 0.000 1.150 51 T CB -0.251 68.850 68.868 0.387 0.000 0.864 51 T HN -0.027 nan 8.240 nan 0.000 0.427 52 V N 1.856 121.551 119.914 -0.365 0.000 2.469 52 V HA -0.209 3.911 4.120 -0.001 0.000 0.251 52 V C 2.462 178.472 176.094 -0.139 0.000 1.064 52 V CA 1.787 63.787 62.300 -0.500 0.000 1.066 52 V CB -0.620 30.552 31.823 -1.086 0.000 0.667 52 V HN 0.482 nan 8.190 nan 0.000 0.461 53 K N 1.152 121.613 120.400 0.102 0.000 2.026 53 K HA -0.248 4.072 4.320 -0.001 0.000 0.208 53 K C 2.394 179.077 176.600 0.139 0.000 1.048 53 K CA 2.034 58.485 56.287 0.273 0.000 0.929 53 K CB -0.207 32.433 32.500 0.233 0.000 0.713 53 K HN 0.604 nan 8.250 nan 0.000 0.439 54 R N 0.016 120.568 120.500 0.086 0.000 2.148 54 R HA -0.020 4.319 4.340 -0.001 0.000 0.223 54 R C 1.917 178.257 176.300 0.066 0.000 1.088 54 R CA 1.142 57.280 56.100 0.063 0.000 0.985 54 R CB -0.502 29.825 30.300 0.045 0.000 0.880 54 R HN -0.004 nan 8.270 nan 0.000 0.451 55 V N 1.149 121.104 119.914 0.068 0.000 2.307 55 V HA -0.183 3.936 4.120 -0.001 0.000 0.245 55 V C 2.435 178.615 176.094 0.144 0.000 1.045 55 V CA 1.496 63.858 62.300 0.102 0.000 1.024 55 V CB -0.141 31.731 31.823 0.082 0.000 0.651 55 V HN 0.182 nan 8.190 nan 0.000 0.449 56 V N -0.201 119.794 119.914 0.136 0.000 2.295 56 V HA -0.268 3.852 4.120 -0.001 0.000 0.246 56 V C 2.416 178.571 176.094 0.103 0.000 1.049 56 V CA 2.132 64.532 62.300 0.166 0.000 1.024 56 V CB -0.609 31.336 31.823 0.203 0.000 0.648 56 V HN 0.584 nan 8.190 nan 0.000 0.447 57 E N 0.116 120.368 120.200 0.086 0.000 2.110 57 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 57 E C 2.304 178.914 176.600 0.016 0.000 0.988 57 E CA 1.155 57.581 56.400 0.042 0.000 0.804 57 E CB -0.466 29.258 29.700 0.040 0.000 0.745 57 E HN 0.648 nan 8.360 nan 0.000 0.458 58 G N 1.225 110.039 108.800 0.025 0.000 2.422 58 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.218 58 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.218 58 G C 1.416 176.295 174.900 -0.037 0.000 1.146 58 G CA 0.713 45.815 45.100 0.003 0.000 0.769 58 G HN 0.194 nan 8.290 nan 0.000 0.547 59 N N 0.332 118.993 118.700 -0.065 0.000 2.173 59 N HA -0.062 4.678 4.740 -0.001 0.000 0.184 59 N C 2.233 177.647 175.510 -0.161 0.000 1.025 59 N CA 0.864 53.783 53.050 -0.217 0.000 0.852 59 N CB -0.055 38.113 38.487 -0.533 0.000 0.998 59 N HN 0.213 nan 8.380 nan 0.000 0.427 60 I N 2.446 122.963 120.570 -0.089 0.000 2.264 60 I HA -0.181 3.988 4.170 -0.001 0.000 0.248 60 I C 1.146 177.230 176.117 -0.055 0.000 1.111 60 I CA 1.194 62.458 61.300 -0.060 0.000 1.382 60 I CB -0.499 37.483 38.000 -0.031 0.000 1.060 60 I HN 0.115 nan 8.210 nan 0.000 0.418 61 N N 0.291 118.962 118.700 -0.049 0.000 2.567 61 N HA -0.003 4.736 4.740 -0.001 0.000 0.195 61 N C 1.440 176.920 175.510 -0.050 0.000 1.242 61 N CA 0.548 53.571 53.050 -0.045 0.000 0.884 61 N CB -0.013 38.453 38.487 -0.034 0.000 1.007 61 N HN 0.445 nan 8.380 nan 0.000 0.450 62 L N -0.543 120.645 121.223 -0.059 0.000 2.463 62 L HA 0.088 4.427 4.340 -0.001 0.000 0.219 62 L C 0.754 177.571 176.870 -0.088 0.000 1.088 62 L CA -0.041 54.770 54.840 -0.047 0.000 0.849 62 L CB 0.043 42.083 42.059 -0.032 0.000 1.012 62 L HN -0.005 nan 8.230 nan 0.000 0.468 63 D N 2.154 122.487 120.400 -0.111 0.000 2.581 63 D HA -0.068 4.572 4.640 -0.001 0.000 0.238 63 D C -1.412 174.742 176.300 -0.244 0.000 1.145 63 D CA -0.861 53.024 54.000 -0.193 0.000 0.866 63 D CB 1.408 42.155 40.800 -0.088 0.000 1.151 63 D HN 0.045 nan 8.370 nan 0.000 0.500 64 P HA -0.147 nan 4.420 nan 0.000 0.220 64 P C 1.176 178.359 177.300 -0.195 0.000 1.148 64 P CA 0.861 63.765 63.100 -0.326 0.000 0.803 64 P CB 0.283 31.652 31.700 -0.552 0.000 0.782 65 R N -0.199 120.184 120.500 -0.195 0.000 2.120 65 R HA -0.006 4.334 4.340 -0.001 0.000 0.234 65 R C 2.436 178.688 176.300 -0.080 0.000 1.123 65 R CA 0.883 56.914 56.100 -0.115 0.000 0.975 65 R CB -0.855 29.389 30.300 -0.094 0.000 0.866 65 R HN 0.256 nan 8.270 nan 0.000 0.446 66 L N 1.028 122.202 121.223 -0.082 0.000 2.633 66 L HA -0.142 4.198 4.340 -0.001 0.000 0.235 66 L C 1.757 178.597 176.870 -0.050 0.000 1.163 66 L CA 0.603 55.407 54.840 -0.059 0.000 0.859 66 L CB -0.180 41.844 42.059 -0.058 0.000 0.973 66 L HN 0.186 nan 8.230 nan 0.000 0.451 67 Q N -0.725 119.042 119.800 -0.054 0.000 2.402 67 Q HA 0.082 4.422 4.340 -0.001 0.000 0.206 67 Q C -0.026 175.955 176.000 -0.031 0.000 0.919 67 Q CA 0.624 56.404 55.803 -0.038 0.000 0.923 67 Q CB 0.458 29.175 28.738 -0.034 0.000 1.048 67 Q HN 0.456 nan 8.270 nan 0.000 0.515 68 D N 1.321 121.699 120.400 -0.036 0.000 2.485 68 D HA 0.134 4.774 4.640 -0.001 0.000 0.256 68 D C -0.604 175.680 176.300 -0.027 0.000 1.141 68 D CA -0.243 53.740 54.000 -0.028 0.000 0.942 68 D CB 0.879 41.662 40.800 -0.029 0.000 1.003 68 D HN -0.174 nan 8.370 nan 0.000 0.507 69 S N 2.710 118.396 115.700 -0.023 0.000 3.245 69 S HA -0.138 4.332 4.470 -0.001 0.000 0.306 69 S C -1.940 172.646 174.600 -0.024 0.000 0.878 69 S CA -0.302 57.885 58.200 -0.022 0.000 1.354 69 S CB -1.007 62.182 63.200 -0.018 0.000 0.969 69 S HN 0.471 nan 8.310 nan 0.000 0.493 70 P HA 0.132 nan 4.420 nan 0.000 0.265 70 P C 0.354 177.639 177.300 -0.026 0.000 1.193 70 P CA -0.182 62.901 63.100 -0.030 0.000 0.765 70 P CB 0.573 32.253 31.700 -0.034 0.000 0.823 71 S N 2.622 118.307 115.700 -0.024 0.000 2.600 71 S HA 0.035 4.505 4.470 -0.001 0.000 0.265 71 S C 1.291 175.877 174.600 -0.024 0.000 1.325 71 S CA -0.684 57.503 58.200 -0.022 0.000 1.002 71 S CB 0.351 63.539 63.200 -0.020 0.000 0.921 71 S HN 0.384 nan 8.310 nan 0.000 0.554 72 L N 0.924 122.133 121.223 -0.023 0.000 2.083 72 L HA -0.033 4.306 4.340 -0.001 0.000 0.209 72 L C 2.579 179.433 176.870 -0.027 0.000 1.083 72 L CA 2.165 56.991 54.840 -0.025 0.000 0.752 72 L CB -0.991 41.055 42.059 -0.022 0.000 0.899 72 L HN 1.015 nan 8.230 nan 0.000 0.433 73 E N -0.914 119.272 120.200 -0.024 0.000 2.106 73 E HA -0.253 4.096 4.350 -0.001 0.000 0.192 73 E C 2.197 178.780 176.600 -0.028 0.000 0.984 73 E CA 1.248 57.633 56.400 -0.025 0.000 0.806 73 E CB -0.192 29.496 29.700 -0.021 0.000 0.750 73 E HN 0.441 nan 8.360 nan 0.000 0.458 74 L N 1.611 122.818 121.223 -0.026 0.000 2.012 74 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 74 L C 1.948 178.798 176.870 -0.033 0.000 1.073 74 L CA 1.961 56.785 54.840 -0.027 0.000 0.748 74 L CB -0.279 41.765 42.059 -0.026 0.000 0.891 74 L HN -0.024 nan 8.230 nan 0.000 0.431 75 K N -1.068 119.310 120.400 -0.036 0.000 2.148 75 K HA -0.199 4.120 4.320 -0.001 0.000 0.204 75 K C 2.127 178.698 176.600 -0.050 0.000 1.050 75 K CA 1.313 57.575 56.287 -0.041 0.000 0.942 75 K CB -0.171 32.306 32.500 -0.039 0.000 0.724 75 K HN 0.326 nan 8.250 nan 0.000 0.446 76 Q N 0.917 120.688 119.800 -0.048 0.000 2.187 76 Q HA -0.037 4.303 4.340 -0.001 0.000 0.199 76 Q C 2.088 178.050 176.000 -0.063 0.000 0.957 76 Q CA 1.427 57.195 55.803 -0.058 0.000 0.857 76 Q CB -0.149 28.559 28.738 -0.050 0.000 0.929 76 Q HN 0.122 nan 8.270 nan 0.000 0.453 77 S N -0.767 114.902 115.700 -0.052 0.000 2.368 77 S HA -0.040 4.430 4.470 -0.001 0.000 0.225 77 S C 1.761 176.324 174.600 -0.061 0.000 1.030 77 S CA 1.042 59.211 58.200 -0.052 0.000 0.999 77 S CB -0.271 62.905 63.200 -0.041 0.000 0.844 77 S HN 0.500 nan 8.310 nan 0.000 0.459 78 L N 0.668 121.857 121.223 -0.057 0.000 2.093 78 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 78 L C 2.725 179.552 176.870 -0.072 0.000 1.085 78 L CA 1.496 56.300 54.840 -0.059 0.000 0.755 78 L CB -1.023 41.008 42.059 -0.047 0.000 0.904 78 L HN 0.349 nan 8.230 nan 0.000 0.435 79 T N -0.759 113.744 114.554 -0.084 0.000 2.708 79 T HA -0.214 4.136 4.350 -0.001 0.000 0.266 79 T C 1.741 176.345 174.700 -0.160 0.000 1.037 79 T CA 1.392 63.420 62.100 -0.118 0.000 1.146 79 T CB -0.130 68.664 68.868 -0.123 0.000 0.865 79 T HN 0.366 nan 8.240 nan 0.000 0.435 80 E N 0.457 120.575 120.200 -0.138 0.000 2.150 80 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 80 E C 2.295 178.839 176.600 -0.095 0.000 0.985 80 E CA 0.764 57.078 56.400 -0.143 0.000 0.814 80 E CB -0.032 29.609 29.700 -0.098 0.000 0.752 80 E HN 0.553 nan 8.360 nan 0.000 0.466 81 E N 0.361 120.519 120.200 -0.070 0.000 2.072 81 E HA -0.181 4.168 4.350 -0.001 0.000 0.191 81 E C 1.993 178.586 176.600 -0.011 0.000 0.985 81 E CA 0.871 57.247 56.400 -0.040 0.000 0.801 81 E CB -0.018 29.641 29.700 -0.069 0.000 0.750 81 E HN 0.216 nan 8.360 nan 0.000 0.452 82 A N 1.122 123.922 122.820 -0.033 0.000 1.933 82 A HA -0.208 4.112 4.320 -0.001 0.000 0.218 82 A C 1.854 179.464 177.584 0.044 0.000 1.175 82 A CA 1.511 53.554 52.037 0.010 0.000 0.628 82 A CB -0.412 18.576 19.000 -0.021 0.000 0.814 82 A HN 0.309 nan 8.150 nan 0.000 0.444 83 E N -0.524 119.608 120.200 -0.114 0.000 2.106 83 E HA -0.155 4.195 4.350 -0.001 0.000 0.192 83 E C 2.301 179.050 176.600 0.249 0.000 0.984 83 E CA 0.887 57.155 56.400 -0.219 0.000 0.806 83 E CB -0.156 29.013 29.700 -0.885 0.000 0.750 83 E HN 0.542 nan 8.360 nan 0.000 0.458 84 R N 0.342 120.958 120.500 0.193 0.000 2.075 84 R HA -0.111 4.228 4.340 -0.001 0.000 0.232 84 R C 2.394 178.925 176.300 0.384 0.000 1.126 84 R CA 0.677 56.996 56.100 0.365 0.000 0.963 84 R CB -0.303 30.175 30.300 0.296 0.000 0.858 84 R HN 0.086 nan 8.270 nan 0.000 0.435 85 L N 0.063 121.418 121.223 0.219 0.000 2.012 85 L HA -0.234 4.106 4.340 -0.001 0.000 0.210 85 L C 2.103 179.091 176.870 0.197 0.000 1.073 85 L CA 1.748 56.674 54.840 0.143 0.000 0.748 85 L CB -0.801 41.338 42.059 0.133 0.000 0.891 85 L HN 0.131 nan 8.230 nan 0.000 0.431 86 Y N 0.471 120.874 120.300 0.172 0.000 2.165 86 Y HA -0.330 4.219 4.550 -0.001 0.000 0.286 86 Y C 2.724 178.744 175.900 0.201 0.000 1.155 86 Y CA 2.472 60.674 58.100 0.169 0.000 1.164 86 Y CB -0.243 38.369 38.460 0.253 0.000 0.978 86 Y HN 0.249 nan 8.280 nan 0.000 0.513 87 K N -0.388 120.358 120.400 0.576 0.000 2.097 87 K HA -0.195 4.125 4.320 -0.001 0.000 0.206 87 K C 2.053 178.961 176.600 0.513 0.000 1.049 87 K CA 1.449 58.061 56.287 0.542 0.000 0.933 87 K CB -0.410 32.427 32.500 0.562 0.000 0.717 87 K HN 0.391 nan 8.250 nan 0.000 0.442 88 L N 1.360 122.802 121.223 0.364 0.000 2.005 88 L HA -0.083 4.256 4.340 -0.001 0.000 0.207 88 L C 1.928 178.733 176.870 -0.109 0.000 1.072 88 L CA 1.586 56.341 54.840 -0.141 0.000 0.744 88 L CB -0.258 41.389 42.059 -0.687 0.000 0.895 88 L HN 0.210 nan 8.230 nan 0.000 0.433 89 I N -1.756 118.763 120.570 -0.085 0.000 2.286 89 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 89 I C 2.379 178.459 176.117 -0.061 0.000 1.104 89 I CA 1.324 62.559 61.300 -0.109 0.000 1.397 89 I CB -0.523 37.377 38.000 -0.167 0.000 1.072 89 I HN 0.311 nan 8.210 nan 0.000 0.417 90 Y N 1.950 122.061 120.300 -0.315 0.000 2.193 90 Y HA -0.222 4.328 4.550 -0.001 0.000 0.285 90 Y C 2.312 178.261 175.900 0.082 0.000 1.166 90 Y CA 1.661 59.571 58.100 -0.317 0.000 1.181 90 Y CB -0.611 37.611 38.460 -0.397 0.000 0.976 90 Y HN 0.094 nan 8.280 nan 0.000 0.520 91 G N -0.840 108.022 108.800 0.104 0.000 2.813 91 G HA2 -0.003 3.956 3.960 -0.001 0.000 0.209 91 G HA3 -0.003 3.956 3.960 -0.001 0.000 0.209 91 G C 0.855 175.730 174.900 -0.041 0.000 1.150 91 G CA 0.463 45.594 45.100 0.052 0.000 0.785 91 G HN 0.519 nan 8.290 nan 0.000 0.535 92 L N -1.280 119.916 121.223 -0.044 0.000 4.291 92 L HA -0.201 4.139 4.340 -0.001 0.000 0.413 92 L C 2.014 178.896 176.870 0.019 0.000 1.162 92 L CA 0.067 54.878 54.840 -0.049 0.000 0.961 92 L CB -1.529 40.404 42.059 -0.210 0.000 2.095 92 L HN 0.296 nan 8.230 nan 0.000 0.838 93 G N -0.602 108.168 108.800 -0.051 0.000 2.572 93 G HA2 0.416 4.375 3.960 -0.001 0.000 0.216 93 G HA3 0.416 4.375 3.960 -0.001 0.000 0.216 93 G C 0.560 175.350 174.900 -0.183 0.000 1.133 93 G CA 0.967 46.007 45.100 -0.100 0.000 0.791 93 G HN 0.713 nan 8.290 nan 0.000 0.538 94 A N -2.010 120.664 122.820 -0.244 0.000 2.601 94 A HA 0.749 5.069 4.320 -0.001 0.000 0.291 94 A C -0.856 176.451 177.584 -0.461 0.000 1.075 94 A CA 0.100 51.865 52.037 -0.452 0.000 0.671 94 A CB 1.269 20.057 19.000 -0.352 0.000 1.277 94 A HN 0.579 nan 8.150 nan 0.000 0.417 95 T N 0.944 114.980 114.554 -0.864 0.000 2.830 95 T HA 0.727 5.076 4.350 -0.001 0.000 0.322 95 T C -3.143 170.700 174.700 -1.428 0.000 1.501 95 T CA -0.876 60.724 62.100 -0.833 0.000 1.036 95 T CB 2.006 70.647 68.868 -0.379 0.000 1.379 95 T HN 0.530 nan 8.240 nan 0.000 0.493 96 P HA 0.314 nan 4.420 nan 0.000 0.302 96 P C -0.190 176.834 177.300 -0.461 0.000 1.307 96 P CA -0.341 62.235 63.100 -0.874 0.000 0.754 96 P CB 0.267 31.672 31.700 -0.492 0.000 1.298 97 S N -1.754 113.817 115.700 -0.214 0.000 2.584 97 S HA 0.174 4.643 4.470 -0.001 0.000 0.270 97 S C 1.829 176.380 174.600 -0.081 0.000 1.346 97 S CA 0.168 58.305 58.200 -0.106 0.000 1.018 97 S CB -0.455 62.748 63.200 0.004 0.000 0.899 97 S HN 0.636 nan 8.310 nan 0.000 0.542 98 G N 1.431 110.215 108.800 -0.026 0.000 2.442 98 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.219 98 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.219 98 G C 1.477 176.492 174.900 0.191 0.000 1.141 98 G CA 1.033 46.144 45.100 0.019 0.000 0.763 98 G HN 0.779 nan 8.290 nan 0.000 0.554 99 R N 1.274 121.899 120.500 0.208 0.000 2.081 99 R HA -0.021 4.318 4.340 -0.001 0.000 0.235 99 R C 2.218 178.684 176.300 0.278 0.000 1.131 99 R CA 1.887 58.157 56.100 0.284 0.000 0.960 99 R CB -1.013 29.431 30.300 0.239 0.000 0.856 99 R HN 0.401 nan 8.270 nan 0.000 0.436 100 N N 0.239 119.051 118.700 0.186 0.000 2.120 100 N HA -0.138 4.601 4.740 -0.001 0.000 0.188 100 N C 1.757 177.367 175.510 0.166 0.000 1.024 100 N CA 1.766 54.928 53.050 0.187 0.000 0.852 100 N CB -0.132 38.476 38.487 0.200 0.000 1.003 100 N HN 0.257 nan 8.380 nan 0.000 0.424 101 L N -0.180 121.092 121.223 0.082 0.000 2.131 101 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 101 L C 2.330 179.387 176.870 0.313 0.000 1.092 101 L CA 0.954 55.841 54.840 0.078 0.000 0.759 101 L CB -0.331 41.558 42.059 -0.284 0.000 0.903 101 L HN 0.452 nan 8.230 nan 0.000 0.435 102 W N -0.181 121.246 121.300 0.212 0.000 2.576 102 W HA -0.044 4.616 4.660 -0.001 0.000 0.275 102 W C 1.717 178.341 176.519 0.175 0.000 1.241 102 W CA 0.637 58.141 57.345 0.266 0.000 1.328 102 W CB 0.455 30.097 29.460 0.302 0.000 1.092 102 W HN 0.096 nan 8.180 nan 0.000 0.586 103 I N 0.416 121.066 120.570 0.134 0.000 4.403 103 I HA 0.142 4.312 4.170 -0.001 0.000 0.331 103 I C 0.865 177.018 176.117 0.060 0.000 1.327 103 I CA 0.267 61.580 61.300 0.021 0.000 1.175 103 I CB 0.180 38.284 38.000 0.174 0.000 1.165 103 I HN -0.314 nan 8.210 nan 0.000 0.413 104 S N 0.640 116.399 115.700 0.098 0.000 2.515 104 S HA 0.379 4.848 4.470 -0.001 0.000 0.285 104 S C 1.296 175.927 174.600 0.051 0.000 1.265 104 S CA 0.861 59.115 58.200 0.090 0.000 1.079 104 S CB -0.283 63.003 63.200 0.144 0.000 0.877 104 S HN 0.815 nan 8.310 nan 0.000 0.493 105 G N 3.322 112.140 108.800 0.030 0.000 2.143 105 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.249 105 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.249 105 G C 0.195 175.096 174.900 0.001 0.000 0.981 105 G CA 0.436 45.545 45.100 0.016 0.000 0.665 105 G HN 1.279 nan 8.290 nan 0.000 0.528 106 T N -2.936 111.616 114.554 -0.004 0.000 2.912 106 T HA 0.598 4.947 4.350 -0.001 0.000 0.280 106 T C 0.916 175.617 174.700 0.003 0.000 0.989 106 T CA 0.171 62.263 62.100 -0.013 0.000 0.995 106 T CB 1.754 70.597 68.868 -0.041 0.000 1.077 106 T HN -0.080 nan 8.240 nan 0.000 0.531 107 D N -0.517 119.889 120.400 0.010 0.000 2.178 107 D HA -0.087 4.553 4.640 -0.001 0.000 0.202 107 D C 1.440 177.752 176.300 0.020 0.000 0.974 107 D CA 1.260 55.265 54.000 0.008 0.000 0.841 107 D CB -0.167 40.642 40.800 0.014 0.000 0.953 107 D HN 0.719 nan 8.370 nan 0.000 0.478 108 Y N 1.811 122.075 120.300 -0.060 0.000 2.145 108 Y HA -0.241 4.309 4.550 -0.001 0.000 0.286 108 Y C 2.554 178.421 175.900 -0.054 0.000 1.145 108 Y CA 1.744 59.810 58.100 -0.056 0.000 1.148 108 Y CB -0.107 38.304 38.460 -0.081 0.000 0.981 108 Y HN -0.159 nan 8.280 nan 0.000 0.507 109 Q N 1.100 120.880 119.800 -0.033 0.000 2.045 109 Q HA -0.263 4.077 4.340 -0.001 0.000 0.206 109 Q C 2.233 178.133 176.000 -0.168 0.000 0.991 109 Q CA 2.236 57.977 55.803 -0.102 0.000 0.851 109 Q CB -0.343 28.403 28.738 0.013 0.000 0.911 109 Q HN 0.554 nan 8.270 nan 0.000 0.418 110 R N 0.063 120.497 120.500 -0.110 0.000 2.193 110 R HA -0.131 4.208 4.340 -0.001 0.000 0.229 110 R C 2.016 178.235 176.300 -0.135 0.000 1.110 110 R CA 1.537 57.576 56.100 -0.102 0.000 0.988 110 R CB -0.186 30.075 30.300 -0.064 0.000 0.871 110 R HN 0.328 nan 8.270 nan 0.000 0.458 111 R N -0.316 120.071 120.500 -0.189 0.000 2.507 111 R HA 0.166 4.505 4.340 -0.001 0.000 0.298 111 R C -0.673 175.456 176.300 -0.284 0.000 0.999 111 R CA 0.054 56.039 56.100 -0.193 0.000 1.082 111 R CB 0.679 30.892 30.300 -0.147 0.000 1.246 111 R HN -0.222 nan 8.270 nan 0.000 0.553 112 T N 0.367 114.693 114.554 -0.380 0.000 2.949 112 T HA 0.441 4.791 4.350 -0.001 0.000 0.300 112 T C -0.086 174.468 174.700 -0.244 0.000 0.988 112 T CA -0.625 61.228 62.100 -0.411 0.000 0.993 112 T CB 1.700 70.031 68.868 -0.895 0.000 0.984 112 T HN 0.380 nan 8.240 nan 0.000 0.442 113 G N 0.989 109.699 108.800 -0.151 0.000 2.569 113 G HA2 0.422 4.381 3.960 -0.001 0.000 0.249 113 G HA3 0.422 4.381 3.960 -0.001 0.000 0.249 113 G C 0.186 175.070 174.900 -0.028 0.000 1.216 113 G CA -0.417 44.623 45.100 -0.101 0.000 0.845 113 G HN 0.795 nan 8.290 nan 0.000 0.568 114 D N -0.630 119.753 120.400 -0.028 0.000 3.006 114 D HA -0.292 4.348 4.640 -0.001 0.000 0.208 114 D C 2.053 178.504 176.300 0.252 0.000 1.116 114 D CA 1.660 55.804 54.000 0.240 0.000 0.998 114 D CB -1.368 39.675 40.800 0.406 0.000 1.124 114 D HN 0.650 nan 8.370 nan 0.000 0.413 115 S N -0.423 115.330 115.700 0.089 0.000 2.500 115 S HA -0.076 4.393 4.470 -0.001 0.000 0.239 115 S C 1.816 176.519 174.600 0.171 0.000 0.989 115 S CA 0.664 58.947 58.200 0.138 0.000 0.951 115 S CB -0.225 62.990 63.200 0.025 0.000 0.759 115 S HN 0.517 nan 8.310 nan 0.000 0.523 116 L N 0.242 121.537 121.223 0.120 0.000 2.607 116 L HA 0.355 4.695 4.340 -0.001 0.000 0.228 116 L C -0.376 176.582 176.870 0.146 0.000 1.123 116 L CA -0.207 54.711 54.840 0.129 0.000 0.890 116 L CB -0.300 41.803 42.059 0.074 0.000 1.103 116 L HN 0.201 nan 8.230 nan 0.000 0.468 117 N N -0.469 118.331 118.700 0.167 0.000 2.342 117 N HA 0.199 4.938 4.740 -0.001 0.000 0.293 117 N C 0.118 175.692 175.510 0.107 0.000 1.026 117 N CA -0.331 52.739 53.050 0.033 0.000 0.857 117 N CB 1.198 39.551 38.487 -0.222 0.000 1.256 117 N HN -0.051 nan 8.380 nan 0.000 0.484 118 N N 0.175 118.901 118.700 0.043 0.000 2.254 118 N HA 0.150 4.890 4.740 -0.001 0.000 0.190 118 N C -0.881 174.708 175.510 0.131 0.000 1.107 118 N CA -0.051 53.091 53.050 0.154 0.000 0.869 118 N CB 0.364 38.940 38.487 0.147 0.000 0.983 118 N HN 0.550 nan 8.380 nan 0.000 0.487 119 c N -0.645 117.888 118.600 -0.112 0.000 2.888 119 c HA 0.720 5.289 4.570 -0.001 0.000 0.308 119 c C -1.210 172.713 174.090 -0.277 0.000 1.213 119 c CA -1.336 54.989 56.329 -0.008 0.000 1.461 119 c CB -0.377 42.154 42.510 0.035 0.000 1.934 119 c HN 0.215 nan 8.230 nan 0.000 0.474 120 W N 0.000 121.409 121.300 0.182 0.000 3.018 120 W HA 0.737 5.396 4.660 -0.001 0.000 0.352 120 W C -1.028 175.652 176.519 0.267 0.000 1.230 120 W CA -0.725 56.762 57.345 0.236 0.000 1.162 120 W CB 0.914 30.556 29.460 0.304 0.000 1.483 120 W HN 0.734 nan 8.180 nan 0.000 0.584 121 F N 1.499 121.670 119.950 0.368 0.000 2.588 121 F HA 0.822 5.349 4.527 -0.001 0.000 0.310 121 F C -1.713 174.126 175.800 0.065 0.000 1.082 121 F CA -1.355 56.753 58.000 0.180 0.000 0.929 121 F CB 1.505 40.543 39.000 0.062 0.000 1.254 121 F HN 0.215 nan 8.300 nan 0.000 0.455 122 V N 4.222 123.278 119.914 -1.430 0.000 2.924 122 V HA 0.804 4.923 4.120 -0.001 0.000 0.300 122 V C -1.397 174.019 176.094 -1.130 0.000 1.227 122 V CA -0.306 61.346 62.300 -1.081 0.000 0.954 122 V CB 1.727 33.147 31.823 -0.672 0.000 1.055 122 V HN 1.273 nan 8.190 nan 0.000 0.429 123 A N 6.947 129.359 122.820 -0.680 0.000 2.366 123 A HA 0.660 4.979 4.320 -0.001 0.000 0.272 123 A C -0.055 177.322 177.584 -0.345 0.000 1.135 123 A CA -0.436 51.398 52.037 -0.340 0.000 0.804 123 A CB 0.234 19.165 19.000 -0.116 0.000 1.064 123 A HN 0.746 nan 8.150 nan 0.000 0.499 124 I N 3.866 124.267 120.570 -0.281 0.000 2.268 124 I HA 0.174 4.343 4.170 -0.001 0.000 0.298 124 I C 0.724 176.682 176.117 -0.266 0.000 1.185 124 I CA 0.586 61.657 61.300 -0.382 0.000 1.548 124 I CB -1.673 36.122 38.000 -0.342 0.000 1.492 124 I HN 0.782 nan 8.210 nan 0.000 0.711 125 R N 4.150 124.494 120.500 -0.260 0.000 2.698 125 R HA 0.697 5.036 4.340 -0.001 0.000 0.275 125 R C -3.200 172.993 176.300 -0.179 0.000 1.001 125 R CA -1.951 54.046 56.100 -0.172 0.000 0.896 125 R CB 1.096 31.321 30.300 -0.126 0.000 1.218 125 R HN -0.088 nan 8.270 nan 0.000 0.462 126 P HA -0.040 nan 4.420 nan 0.000 0.264 126 P C -1.119 176.118 177.300 -0.106 0.000 1.183 126 P CA 0.352 63.380 63.100 -0.119 0.000 0.763 126 P CB 0.566 32.202 31.700 -0.107 0.000 0.807 127 Q N 1.113 120.852 119.800 -0.102 0.000 2.511 127 Q HA 0.327 4.666 4.340 -0.001 0.000 0.289 127 Q C -0.615 175.367 176.000 -0.031 0.000 1.021 127 Q CA -1.243 54.505 55.803 -0.092 0.000 0.785 127 Q CB 2.158 30.796 28.738 -0.167 0.000 1.472 127 Q HN 0.345 nan 8.270 nan 0.000 0.411 128 K N -0.095 120.311 120.400 0.009 0.000 2.144 128 K HA 0.233 4.552 4.320 -0.001 0.000 0.270 128 K C -0.333 176.342 176.600 0.125 0.000 1.005 128 K CA -0.310 56.040 56.287 0.105 0.000 0.932 128 K CB 0.697 33.250 32.500 0.088 0.000 1.021 128 K HN 0.550 nan 8.250 nan 0.000 0.462 129 Y N 1.593 121.962 120.300 0.114 0.000 2.373 129 Y HA 0.013 4.563 4.550 -0.001 0.000 0.293 129 Y C 1.505 177.493 175.900 0.146 0.000 1.129 129 Y CA 1.345 59.559 58.100 0.191 0.000 1.226 129 Y CB -0.317 38.223 38.460 0.133 0.000 1.000 129 Y HN 1.159 nan 8.280 nan 0.000 0.549 130 G N 0.374 109.309 108.800 0.225 0.000 2.752 130 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.234 130 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.234 130 G C -0.749 174.209 174.900 0.097 0.000 1.367 130 G CA -0.101 45.078 45.100 0.132 0.000 0.879 130 G HN 0.306 nan 8.290 nan 0.000 0.563 131 D N 0.521 120.953 120.400 0.054 0.000 2.470 131 D HA 0.523 5.163 4.640 -0.001 0.000 0.226 131 D C 0.486 176.777 176.300 -0.014 0.000 1.196 131 D CA 0.587 54.594 54.000 0.012 0.000 0.979 131 D CB -0.201 40.604 40.800 0.008 0.000 1.059 131 D HN 0.564 nan 8.370 nan 0.000 0.515 132 S N 1.978 117.637 115.700 -0.070 0.000 2.677 132 S HA 0.292 4.761 4.470 -0.001 0.000 0.304 132 S C 0.992 175.431 174.600 -0.269 0.000 1.108 132 S CA -0.874 57.200 58.200 -0.210 0.000 0.944 132 S CB 1.766 64.727 63.200 -0.399 0.000 1.127 132 S HN 0.138 nan 8.310 nan 0.000 0.511 133 K N 0.728 120.911 120.400 -0.361 0.000 2.147 133 K HA 0.162 4.482 4.320 -0.001 0.000 0.205 133 K C 0.151 176.582 176.600 -0.282 0.000 1.049 133 K CA 1.197 57.316 56.287 -0.280 0.000 0.936 133 K CB -0.270 32.069 32.500 -0.268 0.000 0.722 133 K HN 0.501 nan 8.250 nan 0.000 0.446 134 I N 1.020 121.338 120.570 -0.420 0.000 2.339 134 I HA 0.192 4.362 4.170 -0.001 0.000 0.290 134 I C -1.021 174.974 176.117 -0.202 0.000 0.994 134 I CA -0.835 60.300 61.300 -0.274 0.000 1.191 134 I CB 1.655 39.526 38.000 -0.215 0.000 1.343 134 I HN -0.349 nan 8.210 nan 0.000 0.458 135 V N 7.384 127.156 119.914 -0.236 0.000 2.653 135 V HA 0.266 4.385 4.120 -0.001 0.000 0.298 135 V C -2.363 173.442 176.094 -0.482 0.000 1.097 135 V CA -1.412 60.666 62.300 -0.368 0.000 0.908 135 V CB 1.946 33.635 31.823 -0.224 0.000 1.024 135 V HN 0.580 nan 8.190 nan 0.000 0.435 136 P HA 0.070 nan 4.420 nan 0.000 0.264 136 P C 1.105 177.952 177.300 -0.755 0.000 1.183 136 P CA 0.282 62.858 63.100 -0.873 0.000 0.763 136 P CB 0.711 31.624 31.700 -1.312 0.000 0.807 137 S N 2.318 117.647 115.700 -0.619 0.000 2.399 137 S HA -0.242 4.227 4.470 -0.001 0.000 0.231 137 S C 1.578 176.019 174.600 -0.266 0.000 1.022 137 S CA 1.294 59.286 58.200 -0.347 0.000 0.983 137 S CB -1.332 61.739 63.200 -0.214 0.000 0.803 137 S HN 0.587 nan 8.310 nan 0.000 0.480 138 Y N 0.959 121.198 120.300 -0.102 0.000 2.529 138 Y HA 0.608 5.158 4.550 -0.001 0.000 0.290 138 Y C 0.391 176.261 175.900 -0.050 0.000 1.177 138 Y CA -1.200 56.862 58.100 -0.062 0.000 1.305 138 Y CB -0.702 37.728 38.460 -0.050 0.000 1.047 138 Y HN 0.154 nan 8.280 nan 0.000 0.522 139 L N 0.997 122.143 121.223 -0.129 0.000 2.334 139 L HA 0.688 5.028 4.340 -0.001 0.000 0.276 139 L C 0.853 177.694 176.870 -0.048 0.000 1.014 139 L CA -1.074 53.755 54.840 -0.018 0.000 0.815 139 L CB 1.783 43.777 42.059 -0.108 0.000 1.268 139 L HN 0.292 nan 8.230 nan 0.000 0.428 140 G N 0.992 109.803 108.800 0.018 0.000 2.616 140 G HA2 0.171 4.130 3.960 -0.001 0.000 0.268 140 G HA3 0.171 4.130 3.960 -0.001 0.000 0.268 140 G C 0.437 175.348 174.900 0.018 0.000 1.213 140 G CA -0.276 44.831 45.100 0.012 0.000 0.926 140 G HN 0.662 nan 8.290 nan 0.000 0.523 141 K N -0.607 119.805 120.400 0.019 0.000 1.984 141 K HA -0.067 4.253 4.320 -0.001 0.000 0.209 141 K C 2.426 179.070 176.600 0.073 0.000 1.046 141 K CA 1.298 57.608 56.287 0.040 0.000 0.934 141 K CB -0.003 32.512 32.500 0.026 0.000 0.717 141 K HN 0.339 nan 8.250 nan 0.000 0.438 142 Q N 0.902 120.735 119.800 0.056 0.000 2.466 142 Q HA -0.020 4.320 4.340 -0.001 0.000 0.210 142 Q C -0.392 175.648 176.000 0.066 0.000 0.961 142 Q CA 0.363 56.200 55.803 0.058 0.000 0.953 142 Q CB 0.003 28.765 28.738 0.039 0.000 1.011 142 Q HN 0.400 nan 8.270 nan 0.000 0.516 143 E N 1.619 121.869 120.200 0.083 0.000 2.194 143 E HA 0.107 4.456 4.350 -0.001 0.000 0.284 143 E C -0.680 175.996 176.600 0.125 0.000 1.035 143 E CA -0.280 56.175 56.400 0.092 0.000 0.836 143 E CB 0.619 30.375 29.700 0.094 0.000 1.070 143 E HN -0.053 nan 8.360 nan 0.000 0.401 144 K N 2.251 122.707 120.400 0.093 0.000 2.350 144 K HA 0.380 4.699 4.320 -0.001 0.000 0.279 144 K C -0.658 176.006 176.600 0.107 0.000 1.027 144 K CA -0.171 56.166 56.287 0.083 0.000 0.969 144 K CB 1.330 33.848 32.500 0.031 0.000 0.954 144 K HN 0.470 nan 8.250 nan 0.000 0.474 145 A N 2.176 125.073 122.820 0.129 0.000 2.449 145 A HA 0.305 4.625 4.320 -0.001 0.000 0.302 145 A C 0.731 178.342 177.584 0.045 0.000 1.048 145 A CA -0.823 51.303 52.037 0.148 0.000 0.708 145 A CB 1.348 20.570 19.000 0.370 0.000 1.274 145 A HN 0.453 nan 8.150 nan 0.000 0.410 146 V N 1.792 121.656 119.914 -0.085 0.000 2.594 146 V HA -0.200 3.919 4.120 -0.001 0.000 0.253 146 V C 2.602 178.761 176.094 0.107 0.000 1.069 146 V CA 2.811 65.004 62.300 -0.178 0.000 1.082 146 V CB -0.610 30.779 31.823 -0.723 0.000 0.680 146 V HN 1.089 nan 8.190 nan 0.000 0.469 147 S N -0.784 115.042 115.700 0.211 0.000 2.489 147 S HA -0.150 4.320 4.470 -0.001 0.000 0.228 147 S C 1.943 176.733 174.600 0.316 0.000 0.995 147 S CA 0.851 59.281 58.200 0.382 0.000 0.934 147 S CB -0.313 63.128 63.200 0.402 0.000 0.771 147 S HN 0.411 nan 8.310 nan 0.000 0.522 148 M N 3.429 123.068 119.600 0.064 0.000 2.163 148 M HA -0.060 4.419 4.480 -0.001 0.000 0.258 148 M C -1.031 175.072 176.300 -0.329 0.000 1.071 148 M CA 1.981 57.023 55.300 -0.430 0.000 1.093 148 M CB -1.999 30.280 32.600 -0.535 0.000 1.285 148 M HN 0.212 nan 8.290 nan 0.000 0.420 149 P HA -0.170 nan 4.420 nan 0.000 0.218 149 P C 1.469 178.504 177.300 -0.443 0.000 1.148 149 P CA 1.623 64.426 63.100 -0.496 0.000 0.822 149 P CB -0.495 30.813 31.700 -0.653 0.000 0.784 150 F N 0.457 120.328 119.950 -0.131 0.000 2.293 150 F HA -0.019 4.507 4.527 -0.001 0.000 0.297 150 F C 2.663 178.485 175.800 0.036 0.000 1.089 150 F CA 1.083 59.027 58.000 -0.093 0.000 1.377 150 F CB -1.224 37.730 39.000 -0.078 0.000 1.051 150 F HN -0.106 nan 8.300 nan 0.000 0.511 151 S N 0.053 115.915 115.700 0.269 0.000 2.383 151 S HA -0.164 4.305 4.470 -0.001 0.000 0.227 151 S C 1.872 176.569 174.600 0.162 0.000 1.026 151 S CA 0.928 59.344 58.200 0.360 0.000 0.981 151 S CB -0.629 62.885 63.200 0.524 0.000 0.818 151 S HN 0.369 nan 8.310 nan 0.000 0.472 152 F N 2.282 122.010 119.950 -0.369 0.000 2.075 152 F HA -0.077 4.449 4.527 -0.001 0.000 0.297 152 F C 1.994 177.532 175.800 -0.437 0.000 1.113 152 F CA 1.274 58.761 58.000 -0.855 0.000 1.218 152 F CB -0.505 37.837 39.000 -1.097 0.000 0.984 152 F HN 0.144 nan 8.300 nan 0.000 0.472 153 L N -0.754 120.378 121.223 -0.152 0.000 2.012 153 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 153 L C 2.414 179.279 176.870 -0.007 0.000 1.073 153 L CA 1.586 56.361 54.840 -0.108 0.000 0.748 153 L CB -0.891 41.117 42.059 -0.085 0.000 0.891 153 L HN 0.229 nan 8.230 nan 0.000 0.431 154 F N 1.095 120.999 119.950 -0.076 0.000 2.095 154 F HA -0.267 4.259 4.527 -0.001 0.000 0.298 154 F C 2.268 178.059 175.800 -0.015 0.000 1.104 154 F CA 2.002 60.008 58.000 0.011 0.000 1.232 154 F CB -0.827 38.235 39.000 0.103 0.000 0.987 154 F HN 0.359 nan 8.300 nan 0.000 0.475 155 D N -0.136 120.287 120.400 0.039 0.000 2.084 155 D HA -0.171 4.468 4.640 -0.001 0.000 0.194 155 D C 2.053 178.259 176.300 -0.156 0.000 0.990 155 D CA 1.583 55.536 54.000 -0.078 0.000 0.826 155 D CB -0.110 40.740 40.800 0.084 0.000 0.971 155 D HN 0.151 nan 8.370 nan 0.000 0.453 156 E N 0.060 120.022 120.200 -0.396 0.000 2.110 156 E HA -0.126 4.224 4.350 -0.001 0.000 0.193 156 E C 2.448 179.007 176.600 -0.069 0.000 0.988 156 E CA 0.356 56.502 56.400 -0.422 0.000 0.804 156 E CB -0.366 28.760 29.700 -0.958 0.000 0.745 156 E HN 0.435 nan 8.360 nan 0.000 0.458 157 L N -0.060 121.160 121.223 -0.004 0.000 2.056 157 L HA -0.099 4.240 4.340 -0.001 0.000 0.207 157 L C 2.598 179.537 176.870 0.115 0.000 1.078 157 L CA 0.951 55.853 54.840 0.104 0.000 0.749 157 L CB -0.296 41.853 42.059 0.149 0.000 0.901 157 L HN 0.129 nan 8.230 nan 0.000 0.433 158 M N -0.765 118.889 119.600 0.090 0.000 2.374 158 M HA -0.161 4.318 4.480 -0.001 0.000 0.264 158 M C 1.516 177.917 176.300 0.170 0.000 1.067 158 M CA 1.373 56.700 55.300 0.046 0.000 1.103 158 M CB -0.077 32.464 32.600 -0.098 0.000 1.402 158 M HN 0.085 nan 8.290 nan 0.000 0.444 159 K N 0.050 120.566 120.400 0.192 0.000 2.522 159 K HA 0.131 4.451 4.320 -0.001 0.000 0.194 159 K C 0.919 177.804 176.600 0.476 0.000 1.026 159 K CA 0.382 56.856 56.287 0.313 0.000 1.119 159 K CB 0.019 32.634 32.500 0.192 0.000 0.856 159 K HN 0.495 nan 8.250 nan 0.000 0.513 160 G N 0.763 109.827 108.800 0.439 0.000 2.143 160 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.249 160 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.249 160 G C 0.346 175.423 174.900 0.295 0.000 0.981 160 G CA -0.079 45.253 45.100 0.386 0.000 0.665 160 G HN 0.515 nan 8.290 nan 0.000 0.528 161 G N -0.869 108.108 108.800 0.294 0.000 2.557 161 G HA2 0.805 4.764 3.960 -0.001 0.000 0.302 161 G HA3 0.805 4.764 3.960 -0.001 0.000 0.302 161 G C 0.375 175.436 174.900 0.269 0.000 1.311 161 G CA 0.004 45.302 45.100 0.330 0.000 1.030 161 G HN 1.221 nan 8.290 nan 0.000 0.509 162 G N -1.998 106.976 108.800 0.291 0.000 2.432 162 G HA2 0.551 4.511 3.960 -0.001 0.000 0.331 162 G HA3 0.551 4.511 3.960 -0.001 0.000 0.331 162 G C -1.440 173.648 174.900 0.314 0.000 1.170 162 G CA -0.384 44.860 45.100 0.241 0.000 0.943 162 G HN 0.770 nan 8.290 nan 0.000 0.483 163 V N 0.500 120.580 119.914 0.276 0.000 2.623 163 V HA 0.696 4.816 4.120 -0.001 0.000 0.304 163 V C 0.629 176.907 176.094 0.307 0.000 1.054 163 V CA -0.597 61.895 62.300 0.320 0.000 0.882 163 V CB 1.607 33.584 31.823 0.257 0.000 1.002 163 V HN 1.037 nan 8.190 nan 0.000 0.424 164 G N 3.610 112.587 108.800 0.295 0.000 2.400 164 G HA2 0.759 4.719 3.960 -0.001 0.000 0.301 164 G HA3 0.759 4.719 3.960 -0.001 0.000 0.301 164 G C -1.047 173.963 174.900 0.183 0.000 1.154 164 G CA -0.304 44.937 45.100 0.235 0.000 0.852 164 G HN 0.796 nan 8.290 nan 0.000 0.511 165 F N -0.290 119.673 119.950 0.022 0.000 2.645 165 F HA 0.786 5.312 4.527 -0.001 0.000 0.310 165 F C -0.433 175.341 175.800 -0.042 0.000 1.102 165 F CA -1.656 56.189 58.000 -0.259 0.000 0.952 165 F CB 1.886 40.738 39.000 -0.247 0.000 1.326 165 F HN 0.473 nan 8.300 nan 0.000 0.456 166 S N 1.014 116.766 115.700 0.086 0.000 2.449 166 S HA 0.624 5.093 4.470 -0.001 0.000 0.310 166 S C -0.322 174.299 174.600 0.036 0.000 1.096 166 S CA -0.230 58.033 58.200 0.104 0.000 1.095 166 S CB 1.230 64.577 63.200 0.244 0.000 1.007 166 S HN 1.356 nan 8.310 nan 0.000 0.474 167 V N 2.923 122.792 119.914 -0.075 0.000 2.887 167 V HA 0.687 4.806 4.120 -0.001 0.000 0.370 167 V C 0.710 176.671 176.094 -0.222 0.000 1.322 167 V CA -0.393 61.832 62.300 -0.125 0.000 1.267 167 V CB -0.639 31.097 31.823 -0.144 0.000 1.344 167 V HN 0.891 nan 8.190 nan 0.000 0.573 168 A N 0.966 123.689 122.820 -0.163 0.000 2.536 168 A HA 0.329 4.649 4.320 -0.001 0.000 0.234 168 A C 1.554 179.071 177.584 -0.111 0.000 1.076 168 A CA 0.355 52.303 52.037 -0.148 0.000 0.769 168 A CB 0.088 19.035 19.000 -0.090 0.000 1.020 168 A HN 0.619 nan 8.150 nan 0.000 0.508 169 R N 0.700 121.146 120.500 -0.091 0.000 2.091 169 R HA -0.172 4.168 4.340 -0.001 0.000 0.238 169 R C 2.528 178.803 176.300 -0.042 0.000 1.136 169 R CA 1.870 57.937 56.100 -0.055 0.000 0.959 169 R CB -0.432 29.847 30.300 -0.036 0.000 0.856 169 R HN 0.974 nan 8.270 nan 0.000 0.437 170 S N 0.803 116.478 115.700 -0.043 0.000 2.420 170 S HA -0.147 4.322 4.470 -0.001 0.000 0.237 170 S C 1.532 176.110 174.600 -0.036 0.000 1.023 170 S CA 1.397 59.577 58.200 -0.034 0.000 0.991 170 S CB -0.254 62.927 63.200 -0.032 0.000 0.792 170 S HN 0.311 nan 8.310 nan 0.000 0.488 171 N N 1.426 120.098 118.700 -0.046 0.000 2.305 171 N HA 0.174 4.914 4.740 -0.001 0.000 0.179 171 N C 1.683 177.165 175.510 -0.046 0.000 1.019 171 N CA 0.947 53.965 53.050 -0.053 0.000 0.869 171 N CB -0.361 38.086 38.487 -0.067 0.000 1.000 171 N HN 0.309 nan 8.380 nan 0.000 0.431 172 I N 1.874 122.421 120.570 -0.039 0.000 2.335 172 I HA -0.192 3.978 4.170 -0.001 0.000 0.251 172 I C 2.354 178.469 176.117 -0.002 0.000 1.129 172 I CA 1.141 62.432 61.300 -0.015 0.000 1.402 172 I CB -1.504 36.490 38.000 -0.009 0.000 1.069 172 I HN 0.123 nan 8.210 nan 0.000 0.424 173 S N 0.302 115.996 115.700 -0.009 0.000 2.474 173 S HA -0.166 4.304 4.470 -0.001 0.000 0.235 173 S C 1.685 176.283 174.600 -0.003 0.000 0.997 173 S CA 0.612 58.811 58.200 -0.001 0.000 0.949 173 S CB -0.420 62.777 63.200 -0.005 0.000 0.766 173 S HN 0.565 nan 8.310 nan 0.000 0.517 174 Q N 0.193 119.984 119.800 -0.015 0.000 2.435 174 Q HA 0.285 4.624 4.340 -0.001 0.000 0.207 174 Q C 0.011 175.996 176.000 -0.024 0.000 0.956 174 Q CA 0.285 56.074 55.803 -0.023 0.000 0.917 174 Q CB -0.054 28.660 28.738 -0.039 0.000 0.997 174 Q HN 0.624 nan 8.270 nan 0.000 0.497 175 I N 3.896 124.458 120.570 -0.012 0.000 2.396 175 I HA 0.127 4.297 4.170 -0.001 0.000 0.289 175 I C -1.858 174.293 176.117 0.056 0.000 1.056 175 I CA -2.101 59.193 61.300 -0.010 0.000 1.365 175 I CB 0.645 38.660 38.000 0.024 0.000 1.407 175 I HN -0.066 nan 8.210 nan 0.000 0.509 176 P HA 0.044 nan 4.420 nan 0.000 0.271 176 P C -0.861 176.594 177.300 0.258 0.000 1.244 176 P CA -0.455 62.741 63.100 0.159 0.000 0.793 176 P CB 0.404 32.211 31.700 0.179 0.000 0.984 177 R N -0.283 120.295 120.500 0.129 0.000 2.623 177 R HA 0.244 4.583 4.340 -0.001 0.000 0.271 177 R C -0.368 175.888 176.300 -0.073 0.000 1.043 177 R CA -0.742 55.381 56.100 0.038 0.000 1.083 177 R CB -0.561 29.723 30.300 -0.026 0.000 0.974 177 R HN 0.133 nan 8.270 nan 0.000 0.436 178 V N 3.887 123.689 119.914 -0.186 0.000 2.377 178 V HA -0.064 4.056 4.120 -0.001 0.000 0.254 178 V C 0.544 176.365 176.094 -0.455 0.000 1.060 178 V CA 0.410 62.416 62.300 -0.489 0.000 1.068 178 V CB 0.206 31.852 31.823 -0.296 0.000 1.113 178 V HN 0.798 nan 8.190 nan 0.000 0.484 179 D N 3.343 123.342 120.400 -0.669 0.000 2.144 179 D HA -0.024 4.616 4.640 -0.001 0.000 0.200 179 D C 0.165 175.906 176.300 -0.933 0.000 0.978 179 D CA 1.629 55.100 54.000 -0.881 0.000 0.833 179 D CB 0.106 40.104 40.800 -1.335 0.000 0.961 179 D HN 0.504 nan 8.370 nan 0.000 0.470 180 F N -0.546 119.274 119.950 -0.217 0.000 2.556 180 F HA 0.578 5.104 4.527 -0.001 0.000 0.314 180 F C -0.044 175.597 175.800 -0.265 0.000 1.106 180 F CA -1.967 55.908 58.000 -0.209 0.000 0.911 180 F CB 1.392 40.262 39.000 -0.217 0.000 1.190 180 F HN -0.309 nan 8.300 nan 0.000 0.448 181 A N 4.260 127.079 122.820 -0.000 0.000 2.302 181 A HA 0.640 4.959 4.320 -0.001 0.000 0.295 181 A C -0.305 177.200 177.584 -0.132 0.000 1.235 181 A CA -0.407 51.599 52.037 -0.051 0.000 0.876 181 A CB -0.242 18.754 19.000 -0.007 0.000 1.133 181 A HN 0.569 nan 8.150 nan 0.000 0.533 182 I N 2.254 122.655 120.570 -0.282 0.000 2.428 182 I HA 0.143 4.313 4.170 -0.001 0.000 0.289 182 I C 0.136 176.201 176.117 -0.087 0.000 1.019 182 I CA -0.341 60.816 61.300 -0.239 0.000 1.351 182 I CB 1.194 38.966 38.000 -0.379 0.000 1.412 182 I HN 0.673 nan 8.210 nan 0.000 0.513 183 D N 5.841 126.200 120.400 -0.069 0.000 2.295 183 D HA 0.399 5.039 4.640 -0.001 0.000 0.248 183 D C -0.989 175.299 176.300 -0.020 0.000 1.154 183 D CA -0.214 53.766 54.000 -0.034 0.000 0.857 183 D CB 0.751 41.531 40.800 -0.032 0.000 1.117 183 D HN 0.287 nan 8.370 nan 0.000 0.468 184 L N 3.472 124.691 121.223 -0.005 0.000 2.341 184 L HA 0.467 4.806 4.340 -0.001 0.000 0.278 184 L C -1.268 175.605 176.870 0.004 0.000 1.005 184 L CA -0.287 54.555 54.840 0.004 0.000 0.818 184 L CB 1.665 43.732 42.059 0.012 0.000 1.259 184 L HN 0.443 nan 8.230 nan 0.000 0.418 185 Q N 5.741 125.547 119.800 0.009 0.000 2.321 185 Q HA 0.571 4.911 4.340 -0.001 0.000 0.270 185 Q C -1.509 174.494 176.000 0.005 0.000 1.032 185 Q CA -0.637 55.173 55.803 0.012 0.000 0.784 185 Q CB 2.666 31.420 28.738 0.026 0.000 1.264 185 Q HN 0.591 nan 8.270 nan 0.000 0.448 186 L N 2.778 123.999 121.223 -0.004 0.000 2.280 186 L HA 0.528 4.868 4.340 -0.001 0.000 0.287 186 L C -0.558 176.312 176.870 0.000 0.000 1.023 186 L CA -0.991 53.838 54.840 -0.019 0.000 0.819 186 L CB 1.327 43.362 42.059 -0.039 0.000 1.212 186 L HN 0.298 nan 8.230 nan 0.000 0.420 187 V N 4.347 124.265 119.914 0.006 0.000 2.427 187 V HA 0.414 4.533 4.120 -0.001 0.000 0.286 187 V C 0.064 176.184 176.094 0.043 0.000 1.034 187 V CA -0.560 61.766 62.300 0.043 0.000 0.893 187 V CB 2.124 33.991 31.823 0.073 0.000 0.982 187 V HN 0.457 nan 8.190 nan 0.000 0.452 188 V N 3.568 123.538 119.914 0.092 0.000 2.516 188 V HA 0.220 4.340 4.120 -0.001 0.000 0.271 188 V C -0.254 175.963 176.094 0.205 0.000 0.992 188 V CA -0.658 61.714 62.300 0.120 0.000 0.857 188 V CB 1.474 33.362 31.823 0.109 0.000 1.047 188 V HN 1.032 nan 8.190 nan 0.000 0.455 189 D N 2.896 123.364 120.400 0.113 0.000 2.667 189 D HA -0.094 4.545 4.640 -0.001 0.000 0.226 189 D C 1.264 177.528 176.300 -0.059 0.000 1.137 189 D CA 0.622 54.644 54.000 0.037 0.000 0.855 189 D CB 1.083 41.891 40.800 0.013 0.000 1.194 189 D HN 0.578 nan 8.370 nan 0.000 0.492 190 E N 1.040 121.029 120.200 -0.351 0.000 2.267 190 E HA -0.140 4.209 4.350 -0.001 0.000 0.197 190 E C 1.736 178.099 176.600 -0.395 0.000 0.998 190 E CA 1.236 57.108 56.400 -0.879 0.000 0.830 190 E CB -0.182 29.108 29.700 -0.684 0.000 0.751 190 E HN 0.502 nan 8.360 nan 0.000 0.491 191 T N -0.491 113.962 114.554 -0.168 0.000 2.904 191 T HA -0.027 4.323 4.350 -0.001 0.000 0.267 191 T C 1.021 175.722 174.700 0.001 0.000 1.059 191 T CA 0.576 62.635 62.100 -0.067 0.000 1.137 191 T CB -0.143 68.702 68.868 -0.038 0.000 0.879 191 T HN 0.165 nan 8.240 nan 0.000 0.467 192 S N 0.874 116.597 115.700 0.039 0.000 2.558 192 S HA -0.035 4.434 4.470 -0.001 0.000 0.287 192 S C 1.060 175.724 174.600 0.107 0.000 1.321 192 S CA 0.051 58.301 58.200 0.084 0.000 1.048 192 S CB 0.384 63.652 63.200 0.113 0.000 0.844 192 S HN 0.496 nan 8.310 nan 0.000 0.512 193 E N 2.061 122.318 120.200 0.094 0.000 2.511 193 E HA 0.019 4.369 4.350 -0.001 0.000 0.196 193 E C 0.674 177.339 176.600 0.108 0.000 1.066 193 E CA 0.331 56.788 56.400 0.095 0.000 0.871 193 E CB 0.130 29.879 29.700 0.082 0.000 0.863 193 E HN 0.478 nan 8.360 nan 0.000 0.520 194 S N -0.220 115.552 115.700 0.120 0.000 2.663 194 S HA 0.069 4.538 4.470 -0.001 0.000 0.243 194 S C 0.758 175.419 174.600 0.101 0.000 1.009 194 S CA -0.582 57.678 58.200 0.100 0.000 0.988 194 S CB 0.045 63.303 63.200 0.096 0.000 0.896 194 S HN 0.364 nan 8.310 nan 0.000 0.502 195 Y N 3.303 123.616 120.300 0.021 0.000 2.036 195 Y HA -0.284 4.266 4.550 -0.001 0.000 0.273 195 Y C 1.878 177.783 175.900 0.007 0.000 1.135 195 Y CA 2.014 60.122 58.100 0.013 0.000 1.106 195 Y CB -0.273 38.195 38.460 0.013 0.000 0.976 195 Y HN 0.161 nan 8.280 nan 0.000 0.483 196 D N 0.507 120.789 120.400 -0.197 0.000 2.137 196 D HA -0.314 4.325 4.640 -0.001 0.000 0.189 196 D C 2.299 178.463 176.300 -0.227 0.000 0.998 196 D CA 1.883 55.711 54.000 -0.288 0.000 0.839 196 D CB -0.891 39.872 40.800 -0.062 0.000 0.962 196 D HN 0.541 nan 8.370 nan 0.000 0.446 197 A N 0.757 123.509 122.820 -0.113 0.000 1.927 197 A HA -0.242 4.078 4.320 -0.001 0.000 0.220 197 A C 2.496 180.020 177.584 -0.101 0.000 1.185 197 A CA 2.516 54.500 52.037 -0.089 0.000 0.639 197 A CB -0.656 18.313 19.000 -0.051 0.000 0.820 197 A HN 0.227 nan 8.150 nan 0.000 0.451 198 S N -0.823 114.808 115.700 -0.115 0.000 2.387 198 S HA -0.079 4.391 4.470 -0.001 0.000 0.226 198 S C 1.851 176.363 174.600 -0.147 0.000 1.026 198 S CA 1.153 59.291 58.200 -0.103 0.000 0.972 198 S CB -0.409 62.751 63.200 -0.066 0.000 0.814 198 S HN 0.355 nan 8.310 nan 0.000 0.477 199 V N 2.315 122.070 119.914 -0.265 0.000 2.392 199 V HA -0.217 3.902 4.120 -0.001 0.000 0.249 199 V C 2.232 178.234 176.094 -0.152 0.000 1.059 199 V CA 1.631 63.776 62.300 -0.258 0.000 1.051 199 V CB -0.572 30.990 31.823 -0.435 0.000 0.658 199 V HN 0.450 nan 8.190 nan 0.000 0.455 200 K N 0.185 120.501 120.400 -0.141 0.000 2.152 200 K HA -0.118 4.201 4.320 -0.001 0.000 0.206 200 K C 1.683 178.247 176.600 -0.061 0.000 1.048 200 K CA 1.715 57.949 56.287 -0.089 0.000 0.933 200 K CB -0.237 32.215 32.500 -0.080 0.000 0.721 200 K HN 0.617 nan 8.250 nan 0.000 0.447 201 V N -3.769 116.107 119.914 -0.062 0.000 3.596 201 V HA 0.396 4.515 4.120 -0.001 0.000 0.289 201 V C 0.859 176.930 176.094 -0.039 0.000 1.336 201 V CA 0.405 62.681 62.300 -0.040 0.000 1.137 201 V CB 0.143 31.945 31.823 -0.035 0.000 0.966 201 V HN 0.374 nan 8.190 nan 0.000 0.428 202 G N -0.534 108.236 108.800 -0.048 0.000 2.205 202 G HA2 0.054 4.014 3.960 -0.001 0.000 0.180 202 G HA3 0.054 4.014 3.960 -0.001 0.000 0.180 202 G C 0.308 175.185 174.900 -0.038 0.000 1.004 202 G CA 0.014 45.090 45.100 -0.039 0.000 0.670 202 G HN 1.431 nan 8.290 nan 0.000 0.496 203 A N -0.003 122.786 122.820 -0.051 0.000 2.302 203 A HA 0.863 5.182 4.320 -0.001 0.000 0.285 203 A C 0.606 178.178 177.584 -0.020 0.000 1.105 203 A CA 0.220 52.237 52.037 -0.033 0.000 0.816 203 A CB 1.058 20.036 19.000 -0.036 0.000 1.067 203 A HN 1.783 nan 8.150 nan 0.000 0.489 204 V N 0.057 119.986 119.914 0.024 0.000 2.667 204 V HA 0.845 4.965 4.120 -0.001 0.000 0.308 204 V C 0.673 176.853 176.094 0.142 0.000 1.048 204 V CA -0.228 62.110 62.300 0.063 0.000 0.928 204 V CB 0.857 32.711 31.823 0.051 0.000 1.004 204 V HN 1.298 nan 8.190 nan 0.000 0.444 205 G N 1.451 110.393 108.800 0.236 0.000 2.667 205 G HA2 0.208 4.167 3.960 -0.001 0.000 0.250 205 G HA3 0.208 4.167 3.960 -0.001 0.000 0.250 205 G C 0.404 175.377 174.900 0.122 0.000 1.212 205 G CA -0.056 45.217 45.100 0.288 0.000 0.874 205 G HN 1.046 nan 8.290 nan 0.000 0.561 206 K N 0.279 120.718 120.400 0.064 0.000 2.209 206 K HA -0.116 4.203 4.320 -0.001 0.000 0.204 206 K C 2.719 179.336 176.600 0.029 0.000 1.048 206 K CA 1.712 58.024 56.287 0.042 0.000 0.940 206 K CB -0.292 32.216 32.500 0.014 0.000 0.729 206 K HN 0.626 nan 8.250 nan 0.000 0.451 207 N N 1.044 119.757 118.700 0.023 0.000 2.135 207 N HA -0.139 4.601 4.740 -0.001 0.000 0.186 207 N C 1.479 177.007 175.510 0.030 0.000 1.027 207 N CA 1.291 54.351 53.050 0.018 0.000 0.849 207 N CB -0.432 38.061 38.487 0.010 0.000 1.002 207 N HN 0.204 nan 8.380 nan 0.000 0.425 208 E N -0.113 120.116 120.200 0.049 0.000 2.338 208 E HA 0.001 4.350 4.350 -0.001 0.000 0.197 208 E C 0.477 177.101 176.600 0.039 0.000 1.007 208 E CA -0.214 56.213 56.400 0.045 0.000 0.849 208 E CB -0.815 28.920 29.700 0.058 0.000 0.774 208 E HN 0.580 nan 8.360 nan 0.000 0.506 209 L N 1.854 123.104 121.223 0.045 0.000 2.559 209 L HA -0.053 4.286 4.340 -0.001 0.000 0.274 209 L C -0.401 176.488 176.870 0.032 0.000 1.205 209 L CA 0.202 55.069 54.840 0.044 0.000 0.907 209 L CB 0.622 42.715 42.059 0.057 0.000 1.153 209 L HN -0.264 nan 8.230 nan 0.000 0.490 210 V N 6.691 126.623 119.914 0.029 0.000 2.294 210 V HA 0.389 4.509 4.120 -0.001 0.000 0.272 210 V C 0.083 176.190 176.094 0.022 0.000 1.027 210 V CA -0.410 61.901 62.300 0.019 0.000 0.823 210 V CB 0.745 32.576 31.823 0.014 0.000 1.030 210 V HN 0.897 nan 8.190 nan 0.000 0.457 211 Q N 3.792 123.602 119.800 0.018 0.000 2.399 211 Q HA 0.674 5.014 4.340 -0.001 0.000 0.276 211 Q C -1.576 174.426 176.000 0.003 0.000 1.098 211 Q CA -0.702 55.112 55.803 0.018 0.000 0.827 211 Q CB 2.830 31.581 28.738 0.021 0.000 1.386 211 Q HN 0.923 nan 8.270 nan 0.000 0.443 212 D N 0.116 120.517 120.400 0.002 0.000 2.583 212 D HA 0.429 5.068 4.640 -0.001 0.000 0.248 212 D C -0.025 176.269 176.300 -0.009 0.000 1.209 212 D CA -0.260 53.736 54.000 -0.007 0.000 0.848 212 D CB 0.779 41.574 40.800 -0.009 0.000 1.431 212 D HN 0.538 nan 8.370 nan 0.000 0.436 213 A N 0.492 123.304 122.820 -0.014 0.000 1.958 213 A HA -0.232 4.087 4.320 -0.001 0.000 0.221 213 A C 1.683 179.261 177.584 -0.011 0.000 1.178 213 A CA 2.350 54.378 52.037 -0.015 0.000 0.642 213 A CB -0.967 18.023 19.000 -0.017 0.000 0.816 213 A HN 0.741 nan 8.150 nan 0.000 0.453 214 D N -0.546 119.845 120.400 -0.014 0.000 2.347 214 D HA 0.041 4.681 4.640 -0.001 0.000 0.215 214 D C 0.517 176.809 176.300 -0.013 0.000 0.976 214 D CA 0.446 54.434 54.000 -0.020 0.000 0.884 214 D CB -0.097 40.683 40.800 -0.034 0.000 0.915 214 D HN 0.303 nan 8.370 nan 0.000 0.526 215 S N -0.164 115.539 115.700 0.004 0.000 2.568 215 S HA 0.154 4.623 4.470 -0.001 0.000 0.282 215 S C 0.447 175.081 174.600 0.056 0.000 1.338 215 S CA -0.279 57.936 58.200 0.025 0.000 1.045 215 S CB 0.690 63.918 63.200 0.047 0.000 0.873 215 S HN 0.160 nan 8.310 nan 0.000 0.516 216 I N 2.987 123.591 120.570 0.058 0.000 2.365 216 I HA 0.293 4.462 4.170 -0.001 0.000 0.291 216 I C -0.557 175.661 176.117 0.168 0.000 1.004 216 I CA -0.431 60.921 61.300 0.087 0.000 1.311 216 I CB 0.623 38.644 38.000 0.035 0.000 1.401 216 I HN 0.599 nan 8.210 nan 0.000 0.491 217 Y N 7.791 128.133 120.300 0.070 0.000 2.425 217 Y HA 0.471 5.021 4.550 -0.001 0.000 0.344 217 Y C -1.778 174.238 175.900 0.193 0.000 0.969 217 Y CA -1.029 57.132 58.100 0.102 0.000 1.052 217 Y CB 1.470 39.971 38.460 0.067 0.000 1.215 217 Y HN 0.487 nan 8.280 nan 0.000 0.451 218 Y N 6.838 126.776 120.300 -0.603 0.000 2.354 218 Y HA 0.515 5.064 4.550 -0.001 0.000 0.330 218 Y C -1.186 174.373 175.900 -0.568 0.000 1.011 218 Y CA -1.286 56.576 58.100 -0.396 0.000 1.099 218 Y CB 0.931 39.303 38.460 -0.147 0.000 1.179 218 Y HN 0.738 nan 8.280 nan 0.000 0.442 219 R N 5.671 125.830 120.500 -0.568 0.000 2.196 219 R HA 0.376 4.715 4.340 -0.001 0.000 0.340 219 R C -2.020 173.828 176.300 -0.755 0.000 1.043 219 R CA -0.343 55.463 56.100 -0.491 0.000 0.883 219 R CB 0.226 30.488 30.300 -0.063 0.000 1.078 219 R HN 0.678 nan 8.270 nan 0.000 0.462 220 L N 7.948 128.756 121.223 -0.691 0.000 2.361 220 L HA 0.335 4.674 4.340 -0.001 0.000 0.278 220 L C -1.737 175.014 176.870 -0.198 0.000 1.113 220 L CA -1.258 53.246 54.840 -0.559 0.000 0.849 220 L CB 0.656 42.519 42.059 -0.327 0.000 1.155 220 L HN 0.663 nan 8.230 nan 0.000 0.452 221 P HA -0.001 nan 4.420 nan 0.000 0.271 221 P C -0.535 176.812 177.300 0.078 0.000 1.216 221 P CA -0.443 62.667 63.100 0.016 0.000 0.776 221 P CB 0.706 32.439 31.700 0.055 0.000 0.881 222 D N 2.584 123.037 120.400 0.088 0.000 2.745 222 D HA 0.069 4.708 4.640 -0.001 0.000 0.229 222 D C -0.192 176.182 176.300 0.123 0.000 1.088 222 D CA 0.171 54.252 54.000 0.136 0.000 1.054 222 D CB -0.780 40.088 40.800 0.114 0.000 1.132 222 D HN 0.338 nan 8.370 nan 0.000 0.464 223 T N -2.479 112.149 114.554 0.123 0.000 2.864 223 T HA 0.294 4.644 4.350 -0.001 0.000 0.299 223 T C 1.046 175.725 174.700 -0.035 0.000 1.166 223 T CA -1.041 61.091 62.100 0.053 0.000 1.007 223 T CB 1.683 70.592 68.868 0.068 0.000 1.219 223 T HN 0.136 nan 8.240 nan 0.000 0.506 224 R N 0.523 120.939 120.500 -0.140 0.000 2.091 224 R HA -0.160 4.179 4.340 -0.001 0.000 0.238 224 R C 1.491 177.728 176.300 -0.105 0.000 1.136 224 R CA 2.285 58.234 56.100 -0.251 0.000 0.959 224 R CB -0.484 29.700 30.300 -0.194 0.000 0.856 224 R HN 0.744 nan 8.270 nan 0.000 0.437 225 E N -0.058 120.127 120.200 -0.024 0.000 2.110 225 E HA -0.081 4.268 4.350 -0.001 0.000 0.193 225 E C 1.903 178.571 176.600 0.115 0.000 0.988 225 E CA 1.364 57.777 56.400 0.022 0.000 0.804 225 E CB -0.543 29.164 29.700 0.012 0.000 0.745 225 E HN 0.624 nan 8.360 nan 0.000 0.458 226 G N 0.095 108.994 108.800 0.166 0.000 2.440 226 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.218 226 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.218 226 G C 0.929 176.028 174.900 0.331 0.000 1.154 226 G CA 0.799 46.047 45.100 0.248 0.000 0.767 226 G HN 0.215 nan 8.290 nan 0.000 0.552 227 W N 0.513 121.810 121.300 -0.005 0.000 2.355 227 W HA 0.008 4.667 4.660 -0.001 0.000 0.309 227 W C 2.753 179.297 176.519 0.042 0.000 1.206 227 W CA 0.824 58.171 57.345 0.003 0.000 1.284 227 W CB -1.037 28.334 29.460 -0.149 0.000 1.145 227 W HN 0.042 nan 8.180 nan 0.000 0.502 228 V N 0.556 120.513 119.914 0.071 0.000 2.261 228 V HA -0.309 3.810 4.120 -0.001 0.000 0.246 228 V C 2.258 178.539 176.094 0.313 0.000 1.047 228 V CA 1.761 64.144 62.300 0.137 0.000 1.015 228 V CB -1.206 30.652 31.823 0.058 0.000 0.642 228 V HN 0.118 nan 8.190 nan 0.000 0.446 229 L N 0.141 121.508 121.223 0.241 0.000 2.127 229 L HA -0.179 4.161 4.340 -0.001 0.000 0.211 229 L C 2.668 179.685 176.870 0.245 0.000 1.089 229 L CA 1.517 56.469 54.840 0.187 0.000 0.757 229 L CB -0.791 41.337 42.059 0.115 0.000 0.899 229 L HN 0.385 nan 8.230 nan 0.000 0.434 230 A N 0.186 123.232 122.820 0.376 0.000 1.969 230 A HA -0.222 4.098 4.320 -0.001 0.000 0.218 230 A C 2.050 179.788 177.584 0.257 0.000 1.169 230 A CA 1.978 54.233 52.037 0.365 0.000 0.635 230 A CB -0.593 18.576 19.000 0.282 0.000 0.810 230 A HN 0.483 nan 8.150 nan 0.000 0.445 231 N N -0.045 118.836 118.700 0.301 0.000 2.300 231 N HA 0.043 4.782 4.740 -0.001 0.000 0.179 231 N C 1.670 177.316 175.510 0.226 0.000 1.016 231 N CA 1.446 54.637 53.050 0.235 0.000 0.876 231 N CB -0.284 38.382 38.487 0.298 0.000 0.979 231 N HN 0.288 nan 8.380 nan 0.000 0.432 232 A N 0.371 123.372 122.820 0.301 0.000 1.902 232 A HA -0.053 4.266 4.320 -0.001 0.000 0.217 232 A C 2.084 179.864 177.584 0.326 0.000 1.181 232 A CA 1.168 53.404 52.037 0.333 0.000 0.623 232 A CB -0.841 18.374 19.000 0.358 0.000 0.818 232 A HN 0.393 nan 8.150 nan 0.000 0.443 233 L N -0.594 120.800 121.223 0.285 0.000 2.005 233 L HA -0.100 4.240 4.340 -0.001 0.000 0.207 233 L C 2.248 179.207 176.870 0.148 0.000 1.072 233 L CA 2.174 57.160 54.840 0.243 0.000 0.744 233 L CB -0.761 41.394 42.059 0.160 0.000 0.895 233 L HN 0.341 nan 8.230 nan 0.000 0.433 234 L N -0.347 120.970 121.223 0.157 0.000 2.013 234 L HA -0.238 4.101 4.340 -0.001 0.000 0.212 234 L C 2.347 179.362 176.870 0.242 0.000 1.073 234 L CA 2.058 56.993 54.840 0.160 0.000 0.753 234 L CB -0.607 41.522 42.059 0.116 0.000 0.890 234 L HN 0.359 nan 8.230 nan 0.000 0.432 235 I N -0.579 120.097 120.570 0.177 0.000 2.163 235 I HA -0.248 3.921 4.170 -0.001 0.000 0.240 235 I C 1.950 178.293 176.117 0.376 0.000 1.081 235 I CA 1.409 62.816 61.300 0.178 0.000 1.353 235 I CB -0.592 37.436 38.000 0.047 0.000 1.054 235 I HN 0.245 nan 8.210 nan 0.000 0.407 236 D N 0.850 121.416 120.400 0.277 0.000 2.311 236 D HA -0.113 4.526 4.640 -0.001 0.000 0.212 236 D C 2.100 178.531 176.300 0.219 0.000 0.972 236 D CA 1.045 55.190 54.000 0.241 0.000 0.887 236 D CB -0.083 40.758 40.800 0.067 0.000 0.915 236 D HN 0.353 nan 8.370 nan 0.000 0.497 237 L N -0.182 121.144 121.223 0.171 0.000 2.610 237 L HA -0.060 4.280 4.340 -0.001 0.000 0.232 237 L C 1.278 178.221 176.870 0.123 0.000 1.149 237 L CA 0.483 55.372 54.840 0.082 0.000 0.872 237 L CB -0.162 41.884 42.059 -0.021 0.000 0.992 237 L HN 0.020 nan 8.230 nan 0.000 0.447 238 H N -1.495 117.627 119.070 0.087 0.000 2.553 238 H HA 0.168 4.723 4.556 -0.001 0.000 0.265 238 H C -0.678 174.244 175.328 -0.678 0.000 0.964 238 H CA 0.213 56.106 56.048 -0.258 0.000 1.156 238 H CB 0.159 29.630 29.762 -0.486 0.000 1.411 238 H HN 0.026 nan 8.280 nan 0.000 0.558 239 F N -1.077 118.922 119.950 0.082 0.000 2.518 239 F HA 0.441 4.967 4.527 -0.001 0.000 0.323 239 F C 1.106 176.923 175.800 0.028 0.000 1.129 239 F CA -0.876 57.097 58.000 -0.044 0.000 0.920 239 F CB 1.453 40.455 39.000 0.005 0.000 1.160 239 F HN -0.054 nan 8.300 nan 0.000 0.440 240 A N 2.503 125.350 122.820 0.045 0.000 1.948 240 A HA -0.266 4.054 4.320 -0.001 0.000 0.220 240 A C 2.193 179.889 177.584 0.188 0.000 1.177 240 A CA 2.192 54.358 52.037 0.216 0.000 0.636 240 A CB -0.841 18.216 19.000 0.095 0.000 0.815 240 A HN 0.909 nan 8.150 nan 0.000 0.449 241 Q N -0.537 119.356 119.800 0.155 0.000 2.248 241 Q HA -0.164 4.175 4.340 -0.001 0.000 0.208 241 Q C 1.046 177.115 176.000 0.115 0.000 0.984 241 Q CA 1.823 57.698 55.803 0.120 0.000 0.875 241 Q CB -0.829 27.970 28.738 0.101 0.000 0.910 241 Q HN 0.617 nan 8.270 nan 0.000 0.433 242 T N -2.698 111.935 114.554 0.132 0.000 3.331 242 T HA 0.308 4.657 4.350 -0.001 0.000 0.282 242 T C -0.190 174.510 174.700 0.001 0.000 1.010 242 T CA -0.460 61.680 62.100 0.067 0.000 0.928 242 T CB 0.199 69.103 68.868 0.059 0.000 1.154 242 T HN 0.202 nan 8.240 nan 0.000 0.516 243 N N 1.530 120.279 118.700 0.081 0.000 2.725 243 N HA 0.226 4.966 4.740 -0.001 0.000 0.225 243 N C -2.215 173.342 175.510 0.078 0.000 1.465 243 N CA -1.488 51.596 53.050 0.057 0.000 0.830 243 N CB 1.330 39.897 38.487 0.135 0.000 1.460 243 N HN 0.010 nan 8.380 nan 0.000 0.538 244 P HA -0.091 nan 4.420 nan 0.000 0.215 244 P C 0.368 177.662 177.300 -0.010 0.000 1.157 244 P CA 1.206 64.331 63.100 0.042 0.000 0.874 244 P CB 0.416 32.135 31.700 0.033 0.000 0.790 245 D N -0.455 119.915 120.400 -0.049 0.000 2.403 245 D HA -0.068 4.572 4.640 -0.001 0.000 0.227 245 D C 0.591 176.782 176.300 -0.183 0.000 0.995 245 D CA 0.349 54.295 54.000 -0.089 0.000 0.928 245 D CB -0.622 40.132 40.800 -0.077 0.000 0.887 245 D HN 0.179 nan 8.370 nan 0.000 0.529 246 R N -0.701 119.628 120.500 -0.285 0.000 3.627 246 R HA -0.234 4.106 4.340 -0.001 0.000 0.281 246 R C -0.427 175.499 176.300 -0.624 0.000 1.140 246 R CA 0.542 56.232 56.100 -0.683 0.000 0.761 246 R CB -2.152 27.865 30.300 -0.472 0.000 1.181 246 R HN 0.271 nan 8.270 nan 0.000 0.472 247 K N 1.478 121.640 120.400 -0.396 0.000 2.379 247 K HA 0.039 4.358 4.320 -0.001 0.000 0.284 247 K C 0.788 177.205 176.600 -0.305 0.000 1.044 247 K CA 0.291 56.413 56.287 -0.274 0.000 0.974 247 K CB 0.542 32.946 32.500 -0.162 0.000 0.962 247 K HN 0.252 nan 8.250 nan 0.000 0.474 248 Q N 2.365 122.019 119.800 -0.244 0.000 2.141 248 Q HA 0.115 4.454 4.340 -0.001 0.000 0.248 248 Q C -0.838 175.088 176.000 -0.124 0.000 0.834 248 Q CA -0.066 55.617 55.803 -0.200 0.000 1.096 248 Q CB 0.726 29.349 28.738 -0.192 0.000 1.189 248 Q HN 0.300 nan 8.270 nan 0.000 0.471 249 K N 1.514 121.856 120.400 -0.095 0.000 2.559 249 K HA 0.393 4.713 4.320 -0.001 0.000 0.249 249 K C -1.571 175.015 176.600 -0.023 0.000 0.958 249 K CA -0.691 55.566 56.287 -0.050 0.000 0.901 249 K CB 1.828 34.306 32.500 -0.036 0.000 1.124 249 K HN -0.058 nan 8.250 nan 0.000 0.437 250 L N 4.619 125.835 121.223 -0.012 0.000 2.341 250 L HA 0.579 4.918 4.340 -0.001 0.000 0.278 250 L C -1.305 175.584 176.870 0.032 0.000 1.005 250 L CA -0.570 54.279 54.840 0.015 0.000 0.818 250 L CB 1.274 43.339 42.059 0.008 0.000 1.259 250 L HN 0.555 nan 8.230 nan 0.000 0.418 251 I N 6.435 127.037 120.570 0.054 0.000 2.448 251 I HA 0.342 4.511 4.170 -0.001 0.000 0.281 251 I C -0.957 175.129 176.117 -0.052 0.000 1.027 251 I CA -0.413 60.917 61.300 0.049 0.000 1.111 251 I CB 1.453 39.550 38.000 0.162 0.000 1.236 251 I HN 0.410 nan 8.210 nan 0.000 0.452 252 L N 5.386 126.572 121.223 -0.063 0.000 2.272 252 L HA 0.409 4.749 4.340 -0.001 0.000 0.289 252 L C -0.243 176.521 176.870 -0.177 0.000 1.032 252 L CA -0.386 54.376 54.840 -0.129 0.000 0.810 252 L CB 1.225 43.255 42.059 -0.047 0.000 1.205 252 L HN 0.523 nan 8.230 nan 0.000 0.422 253 D N 4.889 125.101 120.400 -0.313 0.000 2.359 253 D HA 0.262 4.902 4.640 -0.001 0.000 0.230 253 D C 0.061 176.252 176.300 -0.181 0.000 1.118 253 D CA -0.235 53.646 54.000 -0.199 0.000 0.844 253 D CB 1.364 42.048 40.800 -0.194 0.000 1.059 253 D HN 0.412 nan 8.370 nan 0.000 0.493 254 L N 2.680 123.840 121.223 -0.106 0.000 3.062 254 L HA 0.179 4.518 4.340 -0.001 0.000 0.255 254 L C 1.572 178.430 176.870 -0.020 0.000 1.274 254 L CA -0.319 54.466 54.840 -0.091 0.000 1.047 254 L CB 0.206 42.196 42.059 -0.115 0.000 1.402 254 L HN 0.142 nan 8.230 nan 0.000 0.550 255 S N -0.053 115.646 115.700 -0.002 0.000 2.453 255 S HA -0.089 4.380 4.470 -0.001 0.000 0.231 255 S C 1.211 175.835 174.600 0.041 0.000 1.005 255 S CA 0.937 59.157 58.200 0.035 0.000 0.949 255 S CB 0.030 63.256 63.200 0.043 0.000 0.774 255 S HN 0.479 nan 8.310 nan 0.000 0.510 256 D N 0.791 121.208 120.400 0.029 0.000 2.354 256 D HA 0.117 4.757 4.640 -0.001 0.000 0.209 256 D C 0.260 176.607 176.300 0.078 0.000 1.015 256 D CA 0.119 54.146 54.000 0.046 0.000 0.867 256 D CB 0.049 40.867 40.800 0.030 0.000 0.933 256 D HN 0.244 nan 8.370 nan 0.000 0.520 257 I N 3.110 123.735 120.570 0.092 0.000 2.668 257 I HA -0.070 4.100 4.170 -0.001 0.000 0.285 257 I C 1.327 177.537 176.117 0.156 0.000 1.168 257 I CA -0.067 61.334 61.300 0.169 0.000 1.424 257 I CB -0.233 37.882 38.000 0.191 0.000 1.377 257 I HN 0.004 nan 8.210 nan 0.000 0.560 258 R N 8.577 129.175 120.500 0.163 0.000 2.623 258 R HA 0.281 4.621 4.340 -0.001 0.000 0.271 258 R C -2.487 173.899 176.300 0.143 0.000 1.043 258 R CA -1.057 55.120 56.100 0.128 0.000 1.083 258 R CB -0.237 30.125 30.300 0.104 0.000 0.974 258 R HN 0.375 nan 8.270 nan 0.000 0.436 259 P HA -0.110 nan 4.420 nan 0.000 0.274 259 P C -0.951 176.449 177.300 0.166 0.000 1.260 259 P CA -0.289 62.901 63.100 0.149 0.000 0.793 259 P CB 0.308 32.085 31.700 0.129 0.000 1.048 260 Y N 0.141 120.478 120.300 0.063 0.000 2.511 260 Y HA 0.306 4.855 4.550 -0.001 0.000 0.332 260 Y C 1.596 177.516 175.900 0.033 0.000 1.177 260 Y CA 1.798 59.928 58.100 0.050 0.000 1.422 260 Y CB -0.324 38.160 38.460 0.041 0.000 1.271 260 Y HN 0.838 nan 8.280 nan 0.000 0.550 261 G N 3.013 111.473 108.800 -0.567 0.000 2.217 261 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.246 261 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.246 261 G C 0.363 175.166 174.900 -0.161 0.000 0.990 261 G CA -0.042 44.812 45.100 -0.411 0.000 0.627 261 G HN 1.364 nan 8.290 nan 0.000 0.522 262 A N 0.508 123.279 122.820 -0.081 0.000 2.520 262 A HA 0.578 4.897 4.320 -0.001 0.000 0.235 262 A C 0.804 178.370 177.584 -0.030 0.000 1.065 262 A CA 1.555 53.580 52.037 -0.019 0.000 0.764 262 A CB -0.137 18.877 19.000 0.023 0.000 1.002 262 A HN 2.071 nan 8.150 nan 0.000 0.502 263 E N 1.081 121.284 120.200 0.006 0.000 2.376 263 E HA 0.446 4.795 4.350 -0.001 0.000 0.266 263 E C 0.001 176.630 176.600 0.048 0.000 1.009 263 E CA 0.441 56.856 56.400 0.025 0.000 0.902 263 E CB -0.141 29.589 29.700 0.051 0.000 0.972 263 E HN 1.220 nan 8.360 nan 0.000 0.439 264 I N -1.383 119.203 120.570 0.027 0.000 2.846 264 I HA 0.602 4.771 4.170 -0.001 0.000 0.307 264 I C -0.185 175.946 176.117 0.024 0.000 1.053 264 I CA -1.402 59.866 61.300 -0.054 0.000 1.050 264 I CB 2.384 40.316 38.000 -0.113 0.000 1.239 264 I HN 0.627 nan 8.210 nan 0.000 0.439 265 H N 2.916 122.006 119.070 0.033 0.000 2.552 265 H HA 0.538 5.093 4.556 -0.001 0.000 0.311 265 H C 0.736 175.897 175.328 -0.278 0.000 1.071 265 H CA -0.832 55.221 56.048 0.008 0.000 1.307 265 H CB 1.021 30.861 29.762 0.131 0.000 1.416 265 H HN 1.141 nan 8.280 nan 0.000 0.464 266 G N 1.944 110.358 108.800 -0.644 0.000 2.168 266 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.197 266 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.197 266 G C -0.720 173.399 174.900 -1.301 0.000 0.997 266 G CA -0.390 43.572 45.100 -1.897 0.000 0.658 266 G HN 0.499 nan 8.290 nan 0.000 0.513 267 F N -1.297 118.577 119.950 -0.127 0.000 2.641 267 F HA 0.611 5.137 4.527 -0.001 0.000 0.308 267 F C 1.212 177.104 175.800 0.153 0.000 1.105 267 F CA -0.153 57.890 58.000 0.071 0.000 0.964 267 F CB 1.065 40.022 39.000 -0.072 0.000 1.294 267 F HN 0.064 nan 8.300 nan 0.000 0.442 268 G N 0.641 109.702 108.800 0.435 0.000 2.448 268 G HA2 0.247 4.206 3.960 -0.001 0.000 0.218 268 G HA3 0.247 4.206 3.960 -0.001 0.000 0.218 268 G C 0.792 175.753 174.900 0.101 0.000 1.135 268 G CA 0.547 45.826 45.100 0.298 0.000 0.784 268 G HN 0.911 nan 8.290 nan 0.000 0.543 269 G N -0.493 108.337 108.800 0.049 0.000 2.588 269 G HA2 0.458 4.417 3.960 -0.001 0.000 0.278 269 G HA3 0.458 4.417 3.960 -0.001 0.000 0.278 269 G C 0.295 175.165 174.900 -0.050 0.000 1.307 269 G CA 0.522 45.591 45.100 -0.051 0.000 1.016 269 G HN 0.482 nan 8.290 nan 0.000 0.503 270 T N -3.116 111.359 114.554 -0.131 0.000 2.804 270 T HA 0.724 5.074 4.350 -0.001 0.000 0.272 270 T C 0.371 174.959 174.700 -0.187 0.000 0.986 270 T CA -0.059 61.951 62.100 -0.150 0.000 0.999 270 T CB 1.144 69.889 68.868 -0.205 0.000 1.307 270 T HN 1.086 nan 8.240 nan 0.000 0.586 271 A N 0.524 123.239 122.820 -0.175 0.000 2.332 271 A HA 0.541 4.860 4.320 -0.001 0.000 0.258 271 A C 1.369 178.872 177.584 -0.134 0.000 1.087 271 A CA -0.052 51.909 52.037 -0.128 0.000 0.802 271 A CB 0.111 19.082 19.000 -0.049 0.000 1.042 271 A HN 1.208 nan 8.150 nan 0.000 0.489 272 S N 0.239 115.961 115.700 0.037 0.000 2.503 272 S HA 0.483 4.952 4.470 -0.001 0.000 0.215 272 S C 1.001 175.808 174.600 0.345 0.000 1.003 272 S CA 0.696 59.024 58.200 0.214 0.000 0.910 272 S CB -0.676 62.661 63.200 0.228 0.000 0.790 272 S HN 2.687 nan 8.310 nan 0.000 0.514 273 G N 2.300 111.276 108.800 0.294 0.000 2.712 273 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.683 273 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.683 273 G C -2.417 172.663 174.900 0.300 0.000 1.320 273 G CA -0.332 44.935 45.100 0.279 0.000 0.847 273 G HN 0.155 nan 8.290 nan 0.000 0.553 274 P HA 0.042 nan 4.420 nan 0.000 0.240 274 P C 1.933 179.209 177.300 -0.040 0.000 1.190 274 P CA 0.947 64.065 63.100 0.030 0.000 0.781 274 P CB 0.068 31.761 31.700 -0.011 0.000 0.931 275 M N 1.550 121.168 119.600 0.031 0.000 2.088 275 M HA -0.112 4.368 4.480 -0.001 0.000 0.256 275 M C -0.456 175.841 176.300 -0.005 0.000 1.071 275 M CA 2.865 58.167 55.300 0.003 0.000 1.097 275 M CB -2.694 29.917 32.600 0.018 0.000 1.315 275 M HN 0.043 nan 8.290 nan 0.000 0.406 276 P HA -0.147 nan 4.420 nan 0.000 0.218 276 P C 1.762 179.047 177.300 -0.025 0.000 1.149 276 P CA 1.182 64.316 63.100 0.057 0.000 0.817 276 P CB -0.147 31.652 31.700 0.165 0.000 0.785 277 L N -0.496 120.625 121.223 -0.169 0.000 2.093 277 L HA -0.056 4.284 4.340 -0.001 0.000 0.208 277 L C 2.511 179.243 176.870 -0.229 0.000 1.085 277 L CA 1.407 56.029 54.840 -0.364 0.000 0.755 277 L CB -1.179 40.298 42.059 -0.969 0.000 0.904 277 L HN -0.208 nan 8.230 nan 0.000 0.435 278 I N -1.045 119.421 120.570 -0.174 0.000 2.113 278 I HA -0.326 3.844 4.170 -0.001 0.000 0.238 278 I C 2.409 178.477 176.117 -0.081 0.000 1.070 278 I CA 1.566 62.797 61.300 -0.116 0.000 1.332 278 I CB -0.558 37.391 38.000 -0.086 0.000 1.044 278 I HN 0.201 nan 8.210 nan 0.000 0.402 279 S N 0.599 116.264 115.700 -0.058 0.000 2.365 279 S HA -0.281 4.189 4.470 -0.001 0.000 0.225 279 S C 2.009 176.579 174.600 -0.050 0.000 1.039 279 S CA 1.808 59.989 58.200 -0.032 0.000 1.033 279 S CB -0.464 62.733 63.200 -0.006 0.000 0.887 279 S HN 0.424 nan 8.310 nan 0.000 0.447 280 M N 0.983 120.538 119.600 -0.076 0.000 2.080 280 M HA -0.119 4.360 4.480 -0.001 0.000 0.260 280 M C 1.858 178.084 176.300 -0.123 0.000 1.068 280 M CA 1.595 56.827 55.300 -0.114 0.000 1.109 280 M CB -0.346 32.171 32.600 -0.138 0.000 1.342 280 M HN 0.287 nan 8.290 nan 0.000 0.405 281 L N 0.035 121.194 121.223 -0.107 0.000 2.093 281 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 281 L C 2.353 179.185 176.870 -0.064 0.000 1.085 281 L CA 0.904 55.694 54.840 -0.083 0.000 0.755 281 L CB -0.563 41.455 42.059 -0.068 0.000 0.904 281 L HN 0.381 nan 8.230 nan 0.000 0.435 282 L N -0.653 120.535 121.223 -0.058 0.000 2.027 282 L HA -0.193 4.146 4.340 -0.001 0.000 0.206 282 L C 2.226 179.064 176.870 -0.053 0.000 1.074 282 L CA 1.095 55.910 54.840 -0.042 0.000 0.745 282 L CB -0.608 41.432 42.059 -0.032 0.000 0.898 282 L HN 0.258 nan 8.230 nan 0.000 0.433 283 D N -0.298 120.063 120.400 -0.065 0.000 2.144 283 D HA -0.131 4.509 4.640 -0.001 0.000 0.200 283 D C 2.316 178.539 176.300 -0.128 0.000 0.978 283 D CA 0.983 54.929 54.000 -0.089 0.000 0.833 283 D CB -0.098 40.656 40.800 -0.077 0.000 0.961 283 D HN 0.085 nan 8.370 nan 0.000 0.470 284 V N 1.244 121.071 119.914 -0.145 0.000 2.626 284 V HA -0.198 3.921 4.120 -0.001 0.000 0.252 284 V C 2.117 178.108 176.094 -0.172 0.000 1.067 284 V CA 1.337 63.525 62.300 -0.187 0.000 1.081 284 V CB -0.436 31.260 31.823 -0.213 0.000 0.686 284 V HN 0.131 nan 8.190 nan 0.000 0.468 285 N N 0.227 118.867 118.700 -0.101 0.000 2.216 285 N HA -0.129 4.611 4.740 -0.001 0.000 0.183 285 N C 1.809 177.300 175.510 -0.032 0.000 1.017 285 N CA 1.346 54.374 53.050 -0.037 0.000 0.861 285 N CB -0.031 38.478 38.487 0.037 0.000 0.986 285 N HN 0.536 nan 8.380 nan 0.000 0.428 286 E N -0.338 119.832 120.200 -0.049 0.000 2.038 286 E HA -0.148 4.202 4.350 -0.001 0.000 0.195 286 E C 1.908 178.472 176.600 -0.059 0.000 1.000 286 E CA 1.402 57.777 56.400 -0.043 0.000 0.803 286 E CB -0.146 29.523 29.700 -0.053 0.000 0.750 286 E HN 0.123 nan 8.360 nan 0.000 0.448 287 V N 1.624 121.483 119.914 -0.091 0.000 2.324 287 V HA -0.284 3.836 4.120 -0.001 0.000 0.250 287 V C 2.320 178.352 176.094 -0.102 0.000 1.060 287 V CA 1.613 63.860 62.300 -0.088 0.000 1.042 287 V CB -0.476 31.281 31.823 -0.110 0.000 0.650 287 V HN 0.252 nan 8.190 nan 0.000 0.450 288 L N -0.316 120.806 121.223 -0.169 0.000 2.044 288 L HA -0.099 4.241 4.340 -0.001 0.000 0.205 288 L C 2.471 179.293 176.870 -0.080 0.000 1.075 288 L CA 1.359 56.054 54.840 -0.241 0.000 0.747 288 L CB -0.687 40.955 42.059 -0.695 0.000 0.903 288 L HN 0.333 nan 8.230 nan 0.000 0.435 289 N N 0.469 119.178 118.700 0.014 0.000 2.084 289 N HA -0.169 4.570 4.740 -0.001 0.000 0.190 289 N C 1.526 177.040 175.510 0.005 0.000 1.030 289 N CA 1.225 54.310 53.050 0.058 0.000 0.849 289 N CB -0.619 37.904 38.487 0.060 0.000 1.012 289 N HN 0.230 nan 8.380 nan 0.000 0.423 290 N N 0.596 119.289 118.700 -0.012 0.000 2.503 290 N HA -0.100 4.640 4.740 -0.001 0.000 0.189 290 N C 0.453 175.954 175.510 -0.015 0.000 1.048 290 N CA 0.911 53.952 53.050 -0.014 0.000 0.905 290 N CB 0.105 38.581 38.487 -0.018 0.000 0.951 290 N HN 0.132 nan 8.380 nan 0.000 0.446 291 K N -0.311 120.075 120.400 -0.023 0.000 2.506 291 K HA 0.313 4.632 4.320 -0.001 0.000 0.204 291 K C -0.445 176.129 176.600 -0.043 0.000 1.045 291 K CA -0.318 55.953 56.287 -0.026 0.000 1.074 291 K CB 0.438 32.924 32.500 -0.023 0.000 0.842 291 K HN 0.025 nan 8.250 nan 0.000 0.514 292 A N 0.432 123.229 122.820 -0.038 0.000 2.548 292 A HA 0.403 4.723 4.320 -0.001 0.000 0.247 292 A C 1.325 178.871 177.584 -0.063 0.000 1.067 292 A CA 1.276 53.279 52.037 -0.056 0.000 0.757 292 A CB -0.413 18.572 19.000 -0.025 0.000 0.996 292 A HN 0.589 nan 8.150 nan 0.000 0.504 293 G N 1.451 110.191 108.800 -0.100 0.000 2.199 293 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.254 293 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.254 293 G C 0.940 175.804 174.900 -0.059 0.000 0.982 293 G CA 0.759 45.811 45.100 -0.081 0.000 0.632 293 G HN 1.869 nan 8.290 nan 0.000 0.529 294 G N -0.861 107.907 108.800 -0.052 0.000 3.039 294 G HA2 0.699 4.658 3.960 -0.001 0.000 0.159 294 G HA3 0.699 4.658 3.960 -0.001 0.000 0.159 294 G C -0.394 174.497 174.900 -0.016 0.000 1.284 294 G CA -0.601 44.482 45.100 -0.027 0.000 0.996 294 G HN 0.372 nan 8.290 nan 0.000 0.592 295 R N -0.629 119.874 120.500 0.005 0.000 2.744 295 R HA 0.432 4.771 4.340 -0.001 0.000 0.279 295 R C -0.943 175.380 176.300 0.039 0.000 0.977 295 R CA -0.698 55.420 56.100 0.030 0.000 0.906 295 R CB 1.829 32.147 30.300 0.030 0.000 1.197 295 R HN 0.336 nan 8.270 nan 0.000 0.463 296 L N 1.946 123.209 121.223 0.066 0.000 2.349 296 L HA 0.294 4.633 4.340 -0.001 0.000 0.275 296 L C 1.232 178.138 176.870 0.060 0.000 1.115 296 L CA -0.183 54.697 54.840 0.067 0.000 0.820 296 L CB 1.022 43.143 42.059 0.104 0.000 1.135 296 L HN 0.741 nan 8.230 nan 0.000 0.445 297 T N -0.869 113.720 114.554 0.059 0.000 2.910 297 T HA 0.481 4.830 4.350 -0.001 0.000 0.279 297 T C 1.043 175.788 174.700 0.074 0.000 0.989 297 T CA -0.169 61.967 62.100 0.061 0.000 0.968 297 T CB 1.623 70.531 68.868 0.066 0.000 1.135 297 T HN 0.568 nan 8.240 nan 0.000 0.562 298 A N 0.133 122.994 122.820 0.067 0.000 1.969 298 A HA 0.083 4.403 4.320 -0.001 0.000 0.218 298 A C 2.311 179.999 177.584 0.173 0.000 1.169 298 A CA 1.327 53.396 52.037 0.054 0.000 0.635 298 A CB -1.221 17.741 19.000 -0.063 0.000 0.810 298 A HN 0.677 nan 8.150 nan 0.000 0.445 299 V N 0.612 120.647 119.914 0.202 0.000 2.358 299 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 299 V C 2.110 178.306 176.094 0.171 0.000 1.047 299 V CA 2.199 64.634 62.300 0.225 0.000 1.035 299 V CB -0.692 31.229 31.823 0.164 0.000 0.658 299 V HN 0.517 nan 8.190 nan 0.000 0.452 300 D N 0.556 121.028 120.400 0.120 0.000 2.097 300 D HA -0.111 4.529 4.640 -0.001 0.000 0.197 300 D C 2.264 178.619 176.300 0.092 0.000 0.984 300 D CA 1.647 55.696 54.000 0.081 0.000 0.826 300 D CB -0.280 40.550 40.800 0.050 0.000 0.973 300 D HN 0.436 nan 8.370 nan 0.000 0.460 301 A N 1.320 124.219 122.820 0.131 0.000 1.902 301 A HA -0.075 4.245 4.320 -0.001 0.000 0.217 301 A C 2.338 180.035 177.584 0.189 0.000 1.181 301 A CA 2.339 54.491 52.037 0.192 0.000 0.623 301 A CB -0.689 18.412 19.000 0.168 0.000 0.818 301 A HN 0.247 nan 8.150 nan 0.000 0.443 302 A N -0.439 122.523 122.820 0.237 0.000 1.930 302 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 302 A C 1.805 179.524 177.584 0.225 0.000 1.175 302 A CA 1.747 53.987 52.037 0.338 0.000 0.627 302 A CB -0.507 18.799 19.000 0.510 0.000 0.815 302 A HN 0.448 nan 8.150 nan 0.000 0.443 303 D N 0.100 120.612 120.400 0.188 0.000 2.117 303 D HA -0.117 4.522 4.640 -0.001 0.000 0.197 303 D C 1.864 178.181 176.300 0.028 0.000 0.987 303 D CA 1.112 55.221 54.000 0.181 0.000 0.829 303 D CB -0.259 40.648 40.800 0.178 0.000 0.961 303 D HN 0.514 nan 8.370 nan 0.000 0.460 304 I N 0.412 120.961 120.570 -0.035 0.000 2.179 304 I HA -0.296 3.873 4.170 -0.001 0.000 0.242 304 I C 2.525 178.566 176.117 -0.127 0.000 1.088 304 I CA 0.676 61.882 61.300 -0.157 0.000 1.357 304 I CB -0.152 37.662 38.000 -0.309 0.000 1.051 304 I HN 0.077 nan 8.210 nan 0.000 0.409 305 C N 0.707 119.964 119.300 -0.071 0.000 2.413 305 C HA -0.159 4.300 4.460 -0.001 0.000 0.277 305 C C 2.514 177.433 174.990 -0.119 0.000 1.265 305 C CA 1.191 60.090 59.018 -0.199 0.000 1.752 305 C CB -1.712 25.606 27.740 -0.702 0.000 1.998 305 C HN 0.545 nan 8.230 nan 0.000 0.489 306 N N 0.724 119.410 118.700 -0.023 0.000 2.142 306 N HA -0.077 4.662 4.740 -0.001 0.000 0.186 306 N C 1.618 177.053 175.510 -0.126 0.000 1.023 306 N CA 0.983 54.011 53.050 -0.038 0.000 0.852 306 N CB -0.212 38.328 38.487 0.088 0.000 0.998 306 N HN 0.485 nan 8.380 nan 0.000 0.424 307 L N 1.040 122.183 121.223 -0.133 0.000 2.083 307 L HA -0.140 4.199 4.340 -0.001 0.000 0.209 307 L C 2.181 178.930 176.870 -0.200 0.000 1.083 307 L CA 0.902 55.622 54.840 -0.201 0.000 0.752 307 L CB -0.341 41.565 42.059 -0.256 0.000 0.899 307 L HN 0.210 nan 8.230 nan 0.000 0.433 308 I N -0.364 120.062 120.570 -0.239 0.000 2.163 308 I HA -0.203 3.967 4.170 -0.001 0.000 0.240 308 I C 2.661 178.678 176.117 -0.166 0.000 1.081 308 I CA 1.489 62.591 61.300 -0.331 0.000 1.353 308 I CB -0.934 36.820 38.000 -0.409 0.000 1.054 308 I HN 0.265 nan 8.210 nan 0.000 0.407 309 G N 0.841 109.570 108.800 -0.120 0.000 2.442 309 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.219 309 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.219 309 G C 1.714 176.574 174.900 -0.067 0.000 1.141 309 G CA 0.910 45.973 45.100 -0.062 0.000 0.763 309 G HN 0.327 nan 8.290 nan 0.000 0.554 310 K N 0.661 120.969 120.400 -0.154 0.000 2.097 310 K HA 0.036 4.355 4.320 -0.001 0.000 0.206 310 K C 2.712 179.361 176.600 0.081 0.000 1.049 310 K CA 1.255 57.506 56.287 -0.060 0.000 0.933 310 K CB -0.304 32.137 32.500 -0.099 0.000 0.717 310 K HN 0.216 nan 8.250 nan 0.000 0.442 311 A N 0.588 123.436 122.820 0.047 0.000 2.015 311 A HA -0.056 4.263 4.320 -0.001 0.000 0.219 311 A C 2.133 179.863 177.584 0.243 0.000 1.163 311 A CA 1.241 53.359 52.037 0.135 0.000 0.646 311 A CB -0.281 18.781 19.000 0.103 0.000 0.806 311 A HN 0.178 nan 8.150 nan 0.000 0.448 312 V N -0.658 119.380 119.914 0.208 0.000 2.346 312 V HA -0.166 3.953 4.120 -0.001 0.000 0.244 312 V C 2.507 178.665 176.094 0.107 0.000 1.037 312 V CA 1.721 64.133 62.300 0.186 0.000 1.029 312 V CB -0.594 31.328 31.823 0.165 0.000 0.663 312 V HN 0.340 nan 8.190 nan 0.000 0.454 313 V N -0.267 119.724 119.914 0.128 0.000 2.568 313 V HA -0.137 3.982 4.120 -0.001 0.000 0.253 313 V C 1.813 177.977 176.094 0.118 0.000 1.072 313 V CA 1.122 63.502 62.300 0.134 0.000 1.084 313 V CB -1.291 30.706 31.823 0.289 0.000 0.676 313 V HN 0.697 nan 8.190 nan 0.000 0.469 314 A N 0.174 123.084 122.820 0.150 0.000 5.483 314 A HA -0.302 4.017 4.320 -0.001 0.000 0.309 314 A C 1.673 179.328 177.584 0.118 0.000 1.898 314 A CA 1.394 53.519 52.037 0.146 0.000 0.716 314 A CB -1.961 17.127 19.000 0.147 0.000 1.309 314 A HN 1.137 nan 8.150 nan 0.000 0.380 315 G N -0.293 108.574 108.800 0.111 0.000 3.284 315 G HA2 0.513 4.473 3.960 -0.001 0.000 0.236 315 G HA3 0.513 4.473 3.960 -0.001 0.000 0.236 315 G C 0.476 175.406 174.900 0.049 0.000 1.158 315 G CA 1.723 46.867 45.100 0.075 0.000 0.774 315 G HN 1.656 nan 8.290 nan 0.000 0.545 322 E N -0.655 119.629 120.200 0.140 0.000 2.369 322 E HA 0.715 5.065 4.350 -0.001 0.000 0.270 322 E C -1.416 175.239 176.600 0.091 0.000 0.909 322 E CA -0.789 55.722 56.400 0.184 0.000 0.775 322 E CB 2.787 32.670 29.700 0.306 0.000 1.270 322 E HN 0.319 nan 8.360 nan 0.000 0.445 323 L N 1.169 122.387 121.223 -0.007 0.000 2.406 323 L HA 0.694 5.033 4.340 -0.001 0.000 0.272 323 L C -1.536 175.011 176.870 -0.540 0.000 0.980 323 L CA -0.498 54.263 54.840 -0.131 0.000 0.831 323 L CB 1.363 43.403 42.059 -0.031 0.000 1.253 323 L HN 0.717 nan 8.230 nan 0.000 0.406 324 A N 5.156 127.676 122.820 -0.500 0.000 2.260 324 A HA 0.643 4.963 4.320 -0.001 0.000 0.314 324 A C -1.232 176.266 177.584 -0.142 0.000 1.257 324 A CA -0.452 51.142 52.037 -0.738 0.000 0.871 324 A CB 1.051 19.979 19.000 -0.121 0.000 1.166 324 A HN 0.630 nan 8.150 nan 0.000 0.522 325 L N 3.619 124.698 121.223 -0.240 0.000 2.298 325 L HA 0.774 5.113 4.340 -0.001 0.000 0.284 325 L C 0.378 177.088 176.870 -0.266 0.000 1.013 325 L CA 0.284 55.069 54.840 -0.092 0.000 0.824 325 L CB 1.178 43.212 42.059 -0.042 0.000 1.221 325 L HN 0.741 nan 8.230 nan 0.000 0.418 326 G N 2.327 110.922 108.800 -0.341 0.000 3.175 326 G HA2 0.555 4.515 3.960 -0.001 0.000 0.255 326 G HA3 0.555 4.515 3.960 -0.001 0.000 0.255 326 G C -1.172 173.598 174.900 -0.217 0.000 1.352 326 G CA -0.691 44.037 45.100 -0.620 0.000 1.037 326 G HN 0.539 nan 8.290 nan 0.000 0.556 327 S N -0.197 115.398 115.700 -0.175 0.000 2.565 327 S HA 0.133 4.603 4.470 -0.001 0.000 0.274 327 S C 1.375 175.955 174.600 -0.032 0.000 1.309 327 S CA -0.289 57.857 58.200 -0.090 0.000 1.043 327 S CB 1.322 64.478 63.200 -0.073 0.000 0.939 327 S HN 0.722 nan 8.310 nan 0.000 0.504 328 N N 1.640 120.272 118.700 -0.113 0.000 2.520 328 N HA -0.148 4.591 4.740 -0.001 0.000 0.185 328 N C 0.457 175.956 175.510 -0.018 0.000 1.068 328 N CA 1.119 54.090 53.050 -0.132 0.000 0.911 328 N CB -0.166 38.038 38.487 -0.471 0.000 0.961 328 N HN 0.664 nan 8.380 nan 0.000 0.446 329 D N -2.097 118.305 120.400 0.002 0.000 2.369 329 D HA -0.006 4.634 4.640 -0.001 0.000 0.211 329 D C -0.381 175.951 176.300 0.054 0.000 1.077 329 D CA -0.347 53.678 54.000 0.041 0.000 0.842 329 D CB -0.304 40.517 40.800 0.035 0.000 0.947 329 D HN 0.118 nan 8.370 nan 0.000 0.509 330 D N 1.239 121.682 120.400 0.072 0.000 2.483 330 D HA 0.004 4.644 4.640 -0.001 0.000 0.220 330 D C 0.946 177.329 176.300 0.140 0.000 1.173 330 D CA -0.087 53.975 54.000 0.104 0.000 0.964 330 D CB 0.723 41.592 40.800 0.115 0.000 1.046 330 D HN -0.082 nan 8.370 nan 0.000 0.517 331 Q N 1.690 121.546 119.800 0.093 0.000 2.226 331 Q HA -0.124 4.215 4.340 -0.001 0.000 0.204 331 Q C 0.993 177.037 176.000 0.074 0.000 0.975 331 Q CA 0.993 56.841 55.803 0.076 0.000 0.866 331 Q CB 0.174 28.944 28.738 0.053 0.000 0.915 331 Q HN 0.596 nan 8.270 nan 0.000 0.440 332 D N -0.276 120.181 120.400 0.095 0.000 2.117 332 D HA -0.126 4.514 4.640 -0.001 0.000 0.198 332 D C 1.697 178.066 176.300 0.115 0.000 0.982 332 D CA 0.652 54.707 54.000 0.091 0.000 0.828 332 D CB -0.314 40.544 40.800 0.097 0.000 0.967 332 D HN 0.197 nan 8.370 nan 0.000 0.464 333 F N 1.844 121.809 119.950 0.026 0.000 2.084 333 F HA -0.103 4.423 4.527 -0.001 0.000 0.296 333 F C 2.232 178.046 175.800 0.022 0.000 1.111 333 F CA 1.040 59.057 58.000 0.028 0.000 1.224 333 F CB -0.498 38.518 39.000 0.027 0.000 0.991 333 F HN -0.171 nan 8.300 nan 0.000 0.471 334 I N -0.230 120.277 120.570 -0.105 0.000 2.315 334 I HA -0.328 3.841 4.170 -0.001 0.000 0.251 334 I C 1.914 177.918 176.117 -0.188 0.000 1.125 334 I CA 1.659 62.838 61.300 -0.202 0.000 1.392 334 I CB -0.658 37.337 38.000 -0.008 0.000 1.065 334 I HN 0.125 nan 8.210 nan 0.000 0.424 335 S N 0.481 116.117 115.700 -0.106 0.000 2.556 335 S HA 0.091 4.560 4.470 -0.001 0.000 0.216 335 S C 1.823 176.373 174.600 -0.084 0.000 0.970 335 S CA 0.034 58.190 58.200 -0.073 0.000 0.912 335 S CB 0.049 63.236 63.200 -0.022 0.000 0.790 335 S HN 0.483 nan 8.310 nan 0.000 0.504 336 M N 1.363 120.888 119.600 -0.125 0.000 2.149 336 M HA -0.043 4.437 4.480 -0.001 0.000 0.261 336 M C 1.347 177.593 176.300 -0.090 0.000 1.064 336 M CA 1.680 56.928 55.300 -0.087 0.000 1.102 336 M CB -0.627 31.931 32.600 -0.069 0.000 1.369 336 M HN -0.044 nan 8.290 nan 0.000 0.408 337 K N 0.294 120.622 120.400 -0.121 0.000 2.525 337 K HA 0.002 4.321 4.320 -0.001 0.000 0.192 337 K C 1.759 178.331 176.600 -0.046 0.000 1.029 337 K CA 0.614 56.852 56.287 -0.082 0.000 1.029 337 K CB -0.000 32.450 32.500 -0.083 0.000 0.814 337 K HN 0.607 nan 8.250 nan 0.000 0.503 338 Q N 0.652 120.426 119.800 -0.044 0.000 2.389 338 Q HA -0.059 4.280 4.340 -0.001 0.000 0.204 338 Q C 0.152 176.144 176.000 -0.013 0.000 0.944 338 Q CA 0.227 56.016 55.803 -0.022 0.000 0.908 338 Q CB 0.270 28.997 28.738 -0.019 0.000 1.002 338 Q HN 0.158 nan 8.270 nan 0.000 0.493 339 D N 0.763 121.152 120.400 -0.017 0.000 2.346 339 D HA -0.071 4.569 4.640 -0.001 0.000 0.267 339 D C 0.782 177.081 176.300 -0.002 0.000 1.320 339 D CA 0.223 54.218 54.000 -0.008 0.000 0.951 339 D CB 0.831 41.625 40.800 -0.010 0.000 1.079 339 D HN 0.035 nan 8.370 nan 0.000 0.509 340 Q N 3.200 123.004 119.800 0.006 0.000 2.077 340 Q HA -0.231 4.109 4.340 -0.001 0.000 0.206 340 Q C 1.566 177.584 176.000 0.029 0.000 0.989 340 Q CA 1.337 57.149 55.803 0.015 0.000 0.853 340 Q CB -0.205 28.540 28.738 0.013 0.000 0.907 340 Q HN 0.751 nan 8.270 nan 0.000 0.418 341 E N 0.886 121.103 120.200 0.029 0.000 2.031 341 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 341 E C 1.735 178.380 176.600 0.074 0.000 0.994 341 E CA 1.072 57.501 56.400 0.047 0.000 0.800 341 E CB 0.121 29.840 29.700 0.031 0.000 0.752 341 E HN 0.256 nan 8.360 nan 0.000 0.447 342 K N 0.214 120.635 120.400 0.034 0.000 2.288 342 K HA -0.114 4.205 4.320 -0.001 0.000 0.201 342 K C 2.224 178.774 176.600 -0.083 0.000 1.048 342 K CA 0.521 56.802 56.287 -0.010 0.000 0.956 342 K CB -0.077 32.392 32.500 -0.052 0.000 0.746 342 K HN 0.145 nan 8.250 nan 0.000 0.461 343 L N 0.829 122.047 121.223 -0.007 0.000 2.056 343 L HA -0.087 4.253 4.340 -0.001 0.000 0.207 343 L C 2.033 179.021 176.870 0.198 0.000 1.078 343 L CA 1.606 56.471 54.840 0.042 0.000 0.749 343 L CB -0.177 41.907 42.059 0.043 0.000 0.901 343 L HN 0.110 nan 8.230 nan 0.000 0.433 344 M N -1.586 118.112 119.600 0.163 0.000 2.319 344 M HA -0.163 4.316 4.480 -0.001 0.000 0.265 344 M C 2.193 178.674 176.300 0.301 0.000 1.068 344 M CA 1.263 56.668 55.300 0.174 0.000 1.118 344 M CB -0.554 32.099 32.600 0.088 0.000 1.395 344 M HN 0.440 nan 8.290 nan 0.000 0.435 345 H N -0.495 118.712 119.070 0.229 0.000 2.448 345 H HA -0.095 4.461 4.556 -0.001 0.000 0.292 345 H C 1.351 176.962 175.328 0.471 0.000 1.035 345 H CA 1.815 58.051 56.048 0.314 0.000 1.349 345 H CB 0.492 30.427 29.762 0.288 0.000 1.425 345 H HN 0.588 nan 8.280 nan 0.000 0.539 346 H N -2.429 116.781 119.070 0.233 0.000 2.872 346 H HA 0.112 4.667 4.556 -0.001 0.000 0.193 346 H C 1.516 176.558 175.328 -0.477 0.000 1.020 346 H CA -0.315 55.599 56.048 -0.224 0.000 0.884 346 H CB -0.013 29.697 29.762 -0.087 0.000 0.896 346 H HN 0.083 nan 8.280 nan 0.000 0.606 347 R N 1.763 121.917 120.500 -0.576 0.000 2.328 347 R HA -0.020 4.319 4.340 -0.001 0.000 0.207 347 R C 1.657 177.852 176.300 -0.175 0.000 1.056 347 R CA 1.387 57.285 56.100 -0.337 0.000 1.016 347 R CB -0.238 29.897 30.300 -0.275 0.000 0.872 347 R HN 0.532 nan 8.270 nan 0.000 0.471 348 W N -0.364 120.911 121.300 -0.042 0.000 2.595 348 W HA 0.108 4.767 4.660 -0.001 0.000 0.257 348 W C 1.384 177.916 176.519 0.021 0.000 1.267 348 W CA 0.440 57.777 57.345 -0.015 0.000 1.300 348 W CB -0.520 28.929 29.460 -0.018 0.000 1.120 348 W HN -0.021 nan 8.180 nan 0.000 0.618 349 A N 1.430 123.771 122.820 -0.799 0.000 2.024 349 A HA -0.123 4.196 4.320 -0.001 0.000 0.220 349 A C 1.417 178.913 177.584 -0.146 0.000 1.164 349 A CA 1.864 53.480 52.037 -0.702 0.000 0.643 349 A CB -0.839 17.689 19.000 -0.786 0.000 0.806 349 A HN 0.337 nan 8.150 nan 0.000 0.451 350 S N -1.174 114.501 115.700 -0.043 0.000 2.632 350 S HA 0.631 5.101 4.470 -0.001 0.000 0.289 350 S C -1.000 173.624 174.600 0.039 0.000 1.115 350 S CA -1.061 57.170 58.200 0.051 0.000 0.889 350 S CB 1.382 64.660 63.200 0.129 0.000 1.116 350 S HN 0.207 nan 8.310 nan 0.000 0.486 351 N N 2.050 120.769 118.700 0.031 0.000 2.400 351 N HA 0.464 5.204 4.740 -0.001 0.000 0.288 351 N C -1.358 174.150 175.510 -0.004 0.000 1.024 351 N CA -0.501 52.560 53.050 0.019 0.000 0.894 351 N CB 1.353 39.860 38.487 0.033 0.000 1.173 351 N HN 0.615 nan 8.380 nan 0.000 0.487 352 N N 0.304 118.988 118.700 -0.027 0.000 2.405 352 N HA 0.454 5.194 4.740 -0.001 0.000 0.299 352 N C -0.616 174.906 175.510 0.021 0.000 1.075 352 N CA -0.260 52.779 53.050 -0.017 0.000 0.884 352 N CB 1.577 39.920 38.487 -0.241 0.000 1.194 352 N HN 0.312 nan 8.380 nan 0.000 0.491 353 S N -0.325 115.447 115.700 0.120 0.000 2.627 353 S HA 0.678 5.148 4.470 -0.001 0.000 0.283 353 S C -0.579 174.127 174.600 0.177 0.000 1.127 353 S CA -0.810 57.453 58.200 0.105 0.000 0.863 353 S CB 1.798 65.030 63.200 0.053 0.000 1.121 353 S HN 0.381 nan 8.310 nan 0.000 0.479 354 V N -0.776 119.193 119.914 0.092 0.000 2.769 354 V HA 0.998 5.117 4.120 -0.001 0.000 0.312 354 V C -0.113 175.943 176.094 -0.064 0.000 1.061 354 V CA -1.179 61.144 62.300 0.038 0.000 0.931 354 V CB 1.074 32.900 31.823 0.005 0.000 1.010 354 V HN 1.040 nan 8.190 nan 0.000 0.433 355 A N 3.496 126.249 122.820 -0.112 0.000 2.328 355 A HA 0.842 5.162 4.320 -0.001 0.000 0.284 355 A C 0.069 177.503 177.584 -0.250 0.000 1.160 355 A CA 0.174 52.126 52.037 -0.142 0.000 0.818 355 A CB 0.666 19.594 19.000 -0.121 0.000 1.087 355 A HN 2.245 nan 8.150 nan 0.000 0.504 356 V N 0.023 119.802 119.914 -0.225 0.000 3.156 356 V HA 0.951 5.071 4.120 -0.001 0.000 0.310 356 V C -1.083 174.949 176.094 -0.104 0.000 1.234 356 V CA -0.589 61.519 62.300 -0.320 0.000 1.065 356 V CB 2.061 33.649 31.823 -0.391 0.000 1.088 356 V HN 0.968 nan 8.190 nan 0.000 0.451 357 D N -1.575 118.816 120.400 -0.016 0.000 2.592 357 D HA 0.499 5.139 4.640 -0.001 0.000 0.263 357 D C 0.519 176.887 176.300 0.113 0.000 1.132 357 D CA -0.052 53.984 54.000 0.059 0.000 0.996 357 D CB 1.349 42.187 40.800 0.063 0.000 1.442 357 D HN 0.323 nan 8.370 nan 0.000 0.486 358 S N -0.715 115.044 115.700 0.097 0.000 2.442 358 S HA -0.060 4.410 4.470 -0.001 0.000 0.236 358 S C 1.829 176.438 174.600 0.016 0.000 1.007 358 S CA 0.998 59.206 58.200 0.014 0.000 0.965 358 S CB -0.464 62.807 63.200 0.118 0.000 0.773 358 S HN 0.628 nan 8.310 nan 0.000 0.504 359 A N 0.714 123.599 122.820 0.108 0.000 2.066 359 A HA 0.178 4.497 4.320 -0.001 0.000 0.218 359 A C 0.679 178.317 177.584 0.090 0.000 1.157 359 A CA 0.144 52.241 52.037 0.101 0.000 0.670 359 A CB -0.464 18.600 19.000 0.106 0.000 0.804 359 A HN 0.421 nan 8.150 nan 0.000 0.453 360 F N 1.506 121.424 119.950 -0.053 0.000 2.563 360 F HA 0.281 4.808 4.527 -0.000 0.000 0.363 360 F C 1.227 176.943 175.800 -0.140 0.000 1.123 360 F CA 0.496 58.421 58.000 -0.124 0.000 1.307 360 F CB 0.915 39.805 39.000 -0.183 0.000 1.115 360 F HN 0.059 nan 8.300 nan 0.000 0.592 361 S N 1.895 116.986 115.700 -1.017 0.000 2.820 361 S HA 0.194 4.663 4.470 -0.001 0.000 0.265 361 S C 0.889 174.930 174.600 -0.932 0.000 1.043 361 S CA 0.120 57.910 58.200 -0.683 0.000 1.245 361 S CB -0.198 62.843 63.200 -0.265 0.000 1.187 361 S HN 0.872 nan 8.310 nan 0.000 0.673 362 G N 1.134 108.888 108.800 -1.744 0.000 3.353 362 G HA2 0.268 4.227 3.960 -0.001 0.000 0.247 362 G HA3 0.268 4.227 3.960 -0.001 0.000 0.247 362 G C 0.099 174.631 174.900 -0.612 0.000 1.025 362 G CA -0.133 44.394 45.100 -0.954 0.000 1.863 362 G HN 0.475 nan 8.290 nan 0.000 0.635 363 Y N -0.625 119.511 120.300 -0.275 0.000 2.544 363 Y HA -0.033 4.516 4.550 -0.001 0.000 0.286 363 Y C 2.640 178.534 175.900 -0.011 0.000 1.141 363 Y CA 0.621 58.702 58.100 -0.031 0.000 1.299 363 Y CB -0.030 38.407 38.460 -0.039 0.000 1.030 363 Y HN 0.481 nan 8.280 nan 0.000 0.543 364 Q N 1.232 121.069 119.800 0.062 0.000 2.014 364 Q HA -0.190 4.149 4.340 -0.001 0.000 0.207 364 Q C -0.544 175.491 176.000 0.058 0.000 0.993 364 Q CA 2.396 58.225 55.803 0.044 0.000 0.850 364 Q CB -0.862 27.878 28.738 0.003 0.000 0.916 364 Q HN 0.254 nan 8.270 nan 0.000 0.417 365 P HA -0.116 nan 4.420 nan 0.000 0.219 365 P C 1.196 178.549 177.300 0.088 0.000 1.150 365 P CA 1.141 64.279 63.100 0.063 0.000 0.814 365 P CB -0.092 31.643 31.700 0.058 0.000 0.787 366 I N 0.392 121.040 120.570 0.130 0.000 2.226 366 I HA -0.222 3.947 4.170 -0.001 0.000 0.245 366 I C 2.608 178.810 176.117 0.142 0.000 1.100 366 I CA 1.488 62.884 61.300 0.159 0.000 1.374 366 I CB -0.756 37.400 38.000 0.260 0.000 1.057 366 I HN -0.079 nan 8.210 nan 0.000 0.413 367 A N 0.648 123.549 122.820 0.135 0.000 1.933 367 A HA -0.131 4.189 4.320 -0.001 0.000 0.218 367 A C 2.530 180.155 177.584 0.069 0.000 1.175 367 A CA 1.719 53.806 52.037 0.083 0.000 0.628 367 A CB -0.711 18.317 19.000 0.048 0.000 0.814 367 A HN 0.434 nan 8.150 nan 0.000 0.444 368 A N -0.382 122.479 122.820 0.067 0.000 1.902 368 A HA 0.137 4.456 4.320 -0.001 0.000 0.217 368 A C 2.411 180.037 177.584 0.071 0.000 1.181 368 A CA 1.900 53.973 52.037 0.061 0.000 0.623 368 A CB -1.379 17.649 19.000 0.048 0.000 0.818 368 A HN 0.690 nan 8.150 nan 0.000 0.443 369 G N 0.106 108.948 108.800 0.071 0.000 2.421 369 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.216 369 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.216 369 G C 1.531 176.485 174.900 0.089 0.000 1.171 369 G CA 1.135 46.273 45.100 0.065 0.000 0.775 369 G HN 0.467 nan 8.290 nan 0.000 0.543 370 I N 0.407 121.046 120.570 0.115 0.000 2.208 370 I HA -0.199 3.970 4.170 -0.001 0.000 0.245 370 I C 2.945 179.213 176.117 0.251 0.000 1.097 370 I CA 1.083 62.484 61.300 0.167 0.000 1.363 370 I CB -0.177 37.921 38.000 0.163 0.000 1.051 370 I HN 0.111 nan 8.210 nan 0.000 0.413 371 R N 0.183 120.817 120.500 0.223 0.000 2.237 371 R HA -0.168 4.172 4.340 -0.001 0.000 0.219 371 R C 2.039 178.447 176.300 0.180 0.000 1.080 371 R CA 0.983 57.254 56.100 0.285 0.000 0.995 371 R CB -0.188 30.226 30.300 0.189 0.000 0.875 371 R HN 0.525 nan 8.270 nan 0.000 0.462 372 E N 1.191 121.463 120.200 0.120 0.000 2.065 372 E HA -0.096 4.253 4.350 -0.001 0.000 0.191 372 E C 0.599 177.229 176.600 0.050 0.000 0.960 372 E CA 1.190 57.632 56.400 0.071 0.000 0.824 372 E CB 0.276 30.007 29.700 0.051 0.000 0.793 372 E HN 0.404 nan 8.360 nan 0.000 0.459 373 N N -1.710 117.022 118.700 0.053 0.000 2.160 373 N HA 0.193 4.932 4.740 -0.001 0.000 0.226 373 N C 0.711 176.245 175.510 0.041 0.000 1.256 373 N CA 0.455 53.524 53.050 0.031 0.000 0.890 373 N CB 1.289 39.786 38.487 0.018 0.000 1.116 373 N HN 0.263 nan 8.380 nan 0.000 0.517 374 G N -0.615 108.236 108.800 0.084 0.000 2.159 374 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.256 374 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.256 374 G C -0.591 174.361 174.900 0.087 0.000 0.977 374 G CA 0.319 45.482 45.100 0.105 0.000 0.652 374 G HN 0.367 nan 8.290 nan 0.000 0.531 375 E N 0.331 120.570 120.200 0.064 0.000 2.277 375 E HA 0.559 4.908 4.350 -0.001 0.000 0.266 375 E C -2.504 174.121 176.600 0.043 0.000 0.901 375 E CA -1.775 54.648 56.400 0.039 0.000 0.782 375 E CB 2.807 32.507 29.700 -0.001 0.000 1.228 375 E HN 0.218 nan 8.360 nan 0.000 0.424 376 P HA 0.271 nan 4.420 nan 0.000 0.281 376 P C -0.053 177.286 177.300 0.066 0.000 1.281 376 P CA -0.342 62.775 63.100 0.028 0.000 0.811 376 P CB 0.976 32.686 31.700 0.016 0.000 1.154 377 G N -0.303 108.531 108.800 0.058 0.000 2.522 377 G HA2 0.635 4.594 3.960 -0.001 0.000 0.304 377 G HA3 0.635 4.594 3.960 -0.001 0.000 0.304 377 G C -0.709 174.236 174.900 0.074 0.000 1.210 377 G CA -0.822 44.318 45.100 0.067 0.000 0.960 377 G HN 0.430 nan 8.290 nan 0.000 0.497 378 I N -0.695 119.921 120.570 0.076 0.000 2.608 378 I HA 0.417 4.587 4.170 -0.001 0.000 0.295 378 I C -0.909 175.232 176.117 0.039 0.000 1.049 378 I CA -0.949 60.396 61.300 0.075 0.000 1.063 378 I CB 2.664 40.757 38.000 0.154 0.000 1.248 378 I HN 0.081 nan 8.210 nan 0.000 0.424 379 V N 4.393 124.311 119.914 0.007 0.000 2.482 379 V HA 0.302 4.421 4.120 -0.001 0.000 0.295 379 V C -0.363 175.713 176.094 -0.030 0.000 1.026 379 V CA -0.701 61.588 62.300 -0.019 0.000 0.856 379 V CB 1.843 33.637 31.823 -0.048 0.000 1.001 379 V HN 0.675 nan 8.190 nan 0.000 0.424 380 N N 4.695 123.388 118.700 -0.012 0.000 2.602 380 N HA 0.298 5.038 4.740 -0.001 0.000 0.238 380 N C 0.861 176.356 175.510 -0.025 0.000 1.084 380 N CA -0.150 52.896 53.050 -0.007 0.000 0.952 380 N CB 1.164 39.666 38.487 0.024 0.000 1.244 380 N HN 0.687 nan 8.380 nan 0.000 0.512 381 L N 1.347 122.543 121.223 -0.045 0.000 2.141 381 L HA -0.135 4.205 4.340 -0.001 0.000 0.209 381 L C 1.873 178.731 176.870 -0.020 0.000 1.094 381 L CA 0.761 55.567 54.840 -0.057 0.000 0.763 381 L CB -0.218 41.795 42.059 -0.077 0.000 0.908 381 L HN 0.444 nan 8.230 nan 0.000 0.437 382 D N 0.804 121.213 120.400 0.014 0.000 2.088 382 D HA -0.203 4.436 4.640 -0.001 0.000 0.191 382 D C 2.248 178.608 176.300 0.101 0.000 0.992 382 D CA 1.639 55.678 54.000 0.067 0.000 0.831 382 D CB -0.118 40.742 40.800 0.099 0.000 0.973 382 D HN 0.184 nan 8.370 nan 0.000 0.447 383 L N 0.046 121.325 121.223 0.094 0.000 2.131 383 L HA -0.119 4.220 4.340 -0.001 0.000 0.210 383 L C 2.652 179.575 176.870 0.089 0.000 1.092 383 L CA 0.947 55.848 54.840 0.102 0.000 0.759 383 L CB -0.343 41.689 42.059 -0.046 0.000 0.903 383 L HN 0.008 nan 8.230 nan 0.000 0.435 384 S N -0.336 115.375 115.700 0.017 0.000 2.402 384 S HA -0.141 4.329 4.470 -0.001 0.000 0.229 384 S C 1.886 176.470 174.600 -0.026 0.000 1.021 384 S CA 1.180 59.369 58.200 -0.019 0.000 0.974 384 S CB -0.038 63.125 63.200 -0.062 0.000 0.800 384 S HN 0.391 nan 8.310 nan 0.000 0.484 385 K N 0.884 121.267 120.400 -0.027 0.000 2.314 385 K HA 0.177 4.497 4.320 -0.001 0.000 0.198 385 K C 0.471 177.014 176.600 -0.095 0.000 1.045 385 K CA 0.448 56.699 56.287 -0.060 0.000 0.988 385 K CB 0.095 32.560 32.500 -0.058 0.000 0.783 385 K HN 0.189 nan 8.250 nan 0.000 0.484 386 N N -0.222 118.429 118.700 -0.080 0.000 2.234 386 N HA 0.095 4.834 4.740 -0.001 0.000 0.227 386 N C -1.052 174.235 175.510 -0.372 0.000 1.151 386 N CA 0.182 53.040 53.050 -0.320 0.000 0.865 386 N CB 0.675 38.840 38.487 -0.536 0.000 1.066 386 N HN 0.039 nan 8.380 nan 0.000 0.515 387 Y N -1.310 118.879 120.300 -0.185 0.000 2.581 387 Y HA 0.528 5.077 4.550 -0.001 0.000 0.337 387 Y C 0.870 176.704 175.900 -0.110 0.000 1.108 387 Y CA -0.998 57.023 58.100 -0.133 0.000 1.033 387 Y CB 1.565 39.975 38.460 -0.082 0.000 1.318 387 Y HN -0.110 nan 8.280 nan 0.000 0.459 388 G N 1.031 109.873 108.800 0.069 0.000 3.198 388 G HA2 0.309 4.269 3.960 -0.001 0.000 0.203 388 G HA3 0.309 4.269 3.960 -0.001 0.000 0.203 388 G C -0.521 174.358 174.900 -0.035 0.000 1.950 388 G CA -0.734 44.367 45.100 0.000 0.000 0.798 388 G HN 0.423 nan 8.290 nan 0.000 0.720 389 R N 0.411 120.836 120.500 -0.125 0.000 2.490 389 R HA 0.209 4.548 4.340 -0.001 0.000 0.280 389 R C 1.420 177.685 176.300 -0.059 0.000 1.077 389 R CA -0.743 55.232 56.100 -0.208 0.000 1.065 389 R CB 1.283 31.354 30.300 -0.382 0.000 1.003 389 R HN 0.223 nan 8.270 nan 0.000 0.470 390 I N 2.818 123.331 120.570 -0.095 0.000 2.423 390 I HA -0.219 3.950 4.170 -0.001 0.000 0.254 390 I C 2.228 178.342 176.117 -0.004 0.000 1.151 390 I CA 1.227 62.520 61.300 -0.011 0.000 1.421 390 I CB -0.863 37.040 38.000 -0.161 0.000 1.079 390 I HN 0.494 nan 8.210 nan 0.000 0.431 391 V N 1.260 121.075 119.914 -0.165 0.000 2.626 391 V HA -0.198 3.921 4.120 -0.001 0.000 0.252 391 V C 1.525 177.610 176.094 -0.015 0.000 1.067 391 V CA 1.760 63.980 62.300 -0.134 0.000 1.081 391 V CB -0.432 31.267 31.823 -0.208 0.000 0.686 391 V HN 0.284 nan 8.190 nan 0.000 0.468 392 D N 0.798 121.195 120.400 -0.005 0.000 2.352 392 D HA 0.238 4.877 4.640 -0.001 0.000 0.232 392 D C 1.089 177.395 176.300 0.009 0.000 1.055 392 D CA 0.977 54.985 54.000 0.013 0.000 0.891 392 D CB -0.407 40.399 40.800 0.010 0.000 0.897 392 D HN 0.622 nan 8.370 nan 0.000 0.529 393 G N 0.810 109.646 108.800 0.060 0.000 2.915 393 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.337 393 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.337 393 G C -0.355 174.371 174.900 -0.289 0.000 1.477 393 G CA -0.599 44.525 45.100 0.040 0.000 0.916 393 G HN 0.311 nan 8.290 nan 0.000 0.550 394 Y N 1.169 121.130 120.300 -0.564 0.000 2.721 394 Y HA 0.374 4.924 4.550 -0.001 0.000 0.329 394 Y C 1.059 176.678 175.900 -0.469 0.000 1.211 394 Y CA 1.059 58.626 58.100 -0.889 0.000 1.512 394 Y CB 0.392 38.607 38.460 -0.409 0.000 1.249 394 Y HN 0.493 nan 8.280 nan 0.000 0.549 395 Q N 6.170 125.486 119.800 -0.806 0.000 2.533 395 Q HA 0.439 4.779 4.340 -0.001 0.000 0.251 395 Q C -0.613 175.065 176.000 -0.536 0.000 0.966 395 Q CA -0.808 54.731 55.803 -0.440 0.000 0.714 395 Q CB 1.493 30.066 28.738 -0.275 0.000 1.284 395 Q HN 0.906 nan 8.270 nan 0.000 0.478 396 A N 1.208 123.774 122.820 -0.424 0.000 2.583 396 A HA 0.243 4.563 4.320 -0.001 0.000 0.249 396 A C 1.383 178.856 177.584 -0.185 0.000 1.035 396 A CA 1.301 53.180 52.037 -0.264 0.000 0.777 396 A CB -0.566 18.451 19.000 0.029 0.000 0.942 396 A HN 1.095 nan 8.150 nan 0.000 0.516 397 G N 2.197 110.889 108.800 -0.180 0.000 2.233 397 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.270 397 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.270 397 G C 0.800 175.631 174.900 -0.116 0.000 1.011 397 G CA 0.606 45.636 45.100 -0.118 0.000 0.762 397 G HN 1.339 nan 8.290 nan 0.000 0.511 398 I N -1.043 119.436 120.570 -0.151 0.000 2.264 398 I HA -0.065 4.105 4.170 -0.001 0.000 0.248 398 I C 0.906 176.967 176.117 -0.092 0.000 1.111 398 I CA 1.946 63.176 61.300 -0.116 0.000 1.382 398 I CB 0.181 38.102 38.000 -0.132 0.000 1.060 398 I HN 0.133 nan 8.210 nan 0.000 0.418 399 D N -0.061 120.281 120.400 -0.097 0.000 2.938 399 D HA 0.218 4.857 4.640 -0.001 0.000 0.369 399 D C 1.107 177.356 176.300 -0.085 0.000 1.301 399 D CA 0.127 54.076 54.000 -0.086 0.000 0.805 399 D CB 0.654 41.405 40.800 -0.082 0.000 1.161 399 D HN 0.307 nan 8.370 nan 0.000 0.474 400 G N 0.162 108.915 108.800 -0.079 0.000 2.535 400 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.218 400 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.218 400 G C 1.064 175.925 174.900 -0.065 0.000 1.122 400 G CA 0.300 45.359 45.100 -0.069 0.000 0.769 400 G HN 0.192 nan 8.290 nan 0.000 0.549 401 D N -0.110 120.249 120.400 -0.069 0.000 2.339 401 D HA 0.104 4.743 4.640 -0.001 0.000 0.217 401 D C 0.930 177.178 176.300 -0.085 0.000 1.050 401 D CA -0.122 53.839 54.000 -0.066 0.000 0.856 401 D CB 0.613 41.377 40.800 -0.059 0.000 0.922 401 D HN 0.040 nan 8.370 nan 0.000 0.518 402 V N 1.439 121.287 119.914 -0.109 0.000 2.585 402 V HA -0.004 4.116 4.120 -0.001 0.000 0.296 402 V C 1.247 177.219 176.094 -0.203 0.000 1.035 402 V CA 0.717 62.917 62.300 -0.167 0.000 1.084 402 V CB 1.165 32.894 31.823 -0.157 0.000 0.953 402 V HN 0.071 nan 8.190 nan 0.000 0.483 403 E N 2.631 122.622 120.200 -0.348 0.000 2.606 403 E HA 0.357 4.706 4.350 -0.001 0.000 0.224 403 E C 0.691 176.868 176.600 -0.705 0.000 0.930 403 E CA 0.483 56.672 56.400 -0.351 0.000 1.125 403 E CB 1.550 31.204 29.700 -0.076 0.000 1.123 403 E HN 0.884 nan 8.360 nan 0.000 0.522 404 G N -0.005 108.109 108.800 -1.144 0.000 2.510 404 G HA2 0.343 4.302 3.960 -0.001 0.000 0.277 404 G HA3 0.343 4.302 3.960 -0.001 0.000 0.277 404 G C -1.117 173.367 174.900 -0.693 0.000 1.223 404 G CA 0.050 44.489 45.100 -1.102 0.000 0.887 404 G HN -0.064 nan 8.290 nan 0.000 0.485 405 T N -0.304 114.036 114.554 -0.357 0.000 2.731 405 T HA 0.521 4.870 4.350 -0.001 0.000 0.300 405 T C -1.118 173.632 174.700 0.084 0.000 1.283 405 T CA -0.379 61.653 62.100 -0.113 0.000 1.005 405 T CB 1.380 70.200 68.868 -0.081 0.000 1.420 405 T HN 0.979 nan 8.240 nan 0.000 0.503 406 N N 1.348 120.095 118.700 0.079 0.000 2.434 406 N HA 0.327 5.066 4.740 -0.001 0.000 0.266 406 N C -2.216 173.351 175.510 0.095 0.000 1.223 406 N CA -1.387 51.739 53.050 0.127 0.000 0.972 406 N CB 0.199 38.739 38.487 0.089 0.000 1.207 406 N HN 0.214 nan 8.380 nan 0.000 0.525 407 P HA -0.102 nan 4.420 nan 0.000 0.218 407 P C 0.758 178.094 177.300 0.061 0.000 1.154 407 P CA 1.569 64.719 63.100 0.083 0.000 0.872 407 P CB 0.109 31.871 31.700 0.103 0.000 0.790 408 C N -2.819 116.515 119.300 0.056 0.000 2.562 408 C HA 0.353 4.812 4.460 -0.001 0.000 0.266 408 C C 1.790 176.798 174.990 0.031 0.000 1.382 408 C CA 0.488 59.532 59.018 0.043 0.000 1.742 408 C CB -1.712 26.050 27.740 0.037 0.000 1.812 408 C HN 0.452 nan 8.230 nan 0.000 0.559 409 G N 1.896 110.712 108.800 0.027 0.000 2.225 409 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.267 409 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.267 409 G C 0.793 175.692 174.900 -0.001 0.000 1.024 409 G CA 0.846 45.952 45.100 0.009 0.000 0.784 409 G HN 0.738 nan 8.290 nan 0.000 0.507 410 E N -0.748 119.453 120.200 0.002 0.000 2.415 410 E HA 0.135 4.484 4.350 -0.001 0.000 0.197 410 E C 0.721 177.311 176.600 -0.017 0.000 1.007 410 E CA 0.168 56.567 56.400 -0.002 0.000 0.890 410 E CB 0.375 30.081 29.700 0.010 0.000 0.891 410 E HN 0.426 nan 8.360 nan 0.000 0.496 411 I N 2.201 122.757 120.570 -0.023 0.000 2.404 411 I HA 0.234 4.403 4.170 -0.001 0.000 0.293 411 I C -0.171 175.906 176.117 -0.067 0.000 0.992 411 I CA -0.993 60.282 61.300 -0.042 0.000 1.149 411 I CB 1.629 39.607 38.000 -0.036 0.000 1.315 411 I HN -0.136 nan 8.210 nan 0.000 0.446 412 S N 7.086 122.736 115.700 -0.084 0.000 2.474 412 S HA 0.621 5.090 4.470 -0.001 0.000 0.276 412 S C -0.039 174.481 174.600 -0.133 0.000 1.227 412 S CA -0.442 57.686 58.200 -0.119 0.000 1.050 412 S CB 0.565 63.702 63.200 -0.104 0.000 0.939 412 S HN 0.331 nan 8.310 nan 0.000 0.490 413 L N 2.118 123.222 121.223 -0.197 0.000 2.354 413 L HA 0.793 5.132 4.340 -0.001 0.000 0.264 413 L C 0.184 176.924 176.870 -0.218 0.000 1.008 413 L CA -0.954 53.792 54.840 -0.157 0.000 0.819 413 L CB 1.865 43.902 42.059 -0.037 0.000 1.339 413 L HN 0.664 nan 8.230 nan 0.000 0.420 414 A N 1.022 123.805 122.820 -0.063 0.000 2.256 414 A HA 0.440 4.759 4.320 -0.001 0.000 0.318 414 A C -0.363 177.335 177.584 0.191 0.000 1.103 414 A CA -0.544 51.488 52.037 -0.009 0.000 0.860 414 A CB 0.635 19.617 19.000 -0.030 0.000 1.182 414 A HN 0.731 nan 8.150 nan 0.000 0.501 415 N N -0.109 118.702 118.700 0.185 0.000 2.411 415 N HA 0.317 5.057 4.740 -0.001 0.000 0.265 415 N C 1.133 176.582 175.510 -0.101 0.000 1.266 415 N CA 1.979 55.085 53.050 0.093 0.000 0.889 415 N CB 0.125 38.591 38.487 -0.035 0.000 1.069 415 N HN 1.495 nan 8.380 nan 0.000 0.476 416 G N 2.035 110.671 108.800 -0.273 0.000 2.184 416 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.264 416 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.264 416 G C 0.066 175.042 174.900 0.126 0.000 0.975 416 G CA 0.427 45.287 45.100 -0.399 0.000 0.642 416 G HN 0.708 nan 8.290 nan 0.000 0.536 417 E N 1.432 121.732 120.200 0.167 0.000 2.313 417 E HA 0.535 4.884 4.350 -0.001 0.000 0.272 417 E C -2.156 174.538 176.600 0.157 0.000 1.038 417 E CA -1.952 54.531 56.400 0.139 0.000 0.863 417 E CB 1.856 31.577 29.700 0.035 0.000 1.060 417 E HN 0.250 nan 8.360 nan 0.000 0.402 418 P HA 0.203 nan 4.420 nan 0.000 0.287 418 P C -0.525 176.579 177.300 -0.326 0.000 1.290 418 P CA -0.741 62.018 63.100 -0.568 0.000 0.889 418 P CB 0.934 31.879 31.700 -1.258 0.000 1.190 419 c N -0.094 118.308 118.600 -0.331 0.000 2.422 419 c HA 0.717 5.286 4.570 -0.001 0.000 0.364 419 c C 0.299 174.305 174.090 -0.140 0.000 1.251 419 c CA -0.369 55.864 56.329 -0.161 0.000 2.441 419 c CB -0.652 41.795 42.510 -0.105 0.000 2.393 419 c HN 0.656 nan 8.230 nan 0.000 0.606 420 N N 0.858 119.529 118.700 -0.048 0.000 2.793 420 N HA 0.487 5.226 4.740 -0.001 0.000 0.251 420 N C -1.307 174.246 175.510 0.071 0.000 1.308 420 N CA -0.252 52.810 53.050 0.020 0.000 0.781 420 N CB 0.205 38.706 38.487 0.023 0.000 1.439 420 N HN 0.839 nan 8.380 nan 0.000 0.562 421 L N 1.329 122.603 121.223 0.085 0.000 2.322 421 L HA 0.742 5.081 4.340 -0.001 0.000 0.269 421 L C -0.826 176.131 176.870 0.145 0.000 1.012 421 L CA -1.123 53.775 54.840 0.097 0.000 0.815 421 L CB 1.615 43.695 42.059 0.034 0.000 1.295 421 L HN 0.335 nan 8.230 nan 0.000 0.438 422 F N 0.621 120.536 119.950 -0.057 0.000 2.588 422 F HA 0.395 4.922 4.527 -0.001 0.000 0.314 422 F C -0.611 175.071 175.800 -0.197 0.000 1.134 422 F CA -0.409 57.490 58.000 -0.168 0.000 0.961 422 F CB 2.039 40.938 39.000 -0.168 0.000 1.239 422 F HN 0.465 nan 8.300 nan 0.000 0.448 423 E N 4.149 123.936 120.200 -0.689 0.000 2.166 423 E HA 0.691 5.040 4.350 -0.001 0.000 0.275 423 E C -1.737 174.356 176.600 -0.845 0.000 0.941 423 E CA -0.712 55.324 56.400 -0.606 0.000 0.784 423 E CB 1.803 31.133 29.700 -0.617 0.000 1.115 423 E HN 0.468 nan 8.360 nan 0.000 0.399 424 V N 4.704 124.211 119.914 -0.679 0.000 2.555 424 V HA 0.399 4.519 4.120 -0.001 0.000 0.302 424 V C -0.982 174.670 176.094 -0.737 0.000 1.038 424 V CA -0.724 61.127 62.300 -0.748 0.000 0.887 424 V CB 1.285 32.647 31.823 -0.769 0.000 0.991 424 V HN 0.585 nan 8.190 nan 0.000 0.434 425 F N 5.123 124.875 119.950 -0.331 0.000 2.307 425 F HA 0.428 4.954 4.527 -0.001 0.000 0.369 425 F C -1.618 173.968 175.800 -0.358 0.000 1.076 425 F CA -2.591 55.231 58.000 -0.296 0.000 1.149 425 F CB 0.986 39.838 39.000 -0.246 0.000 1.410 425 F HN 0.335 nan 8.300 nan 0.000 0.481 426 P HA -0.279 nan 4.420 nan 0.000 0.216 426 P C 2.114 179.207 177.300 -0.344 0.000 1.167 426 P CA 1.275 63.975 63.100 -0.668 0.000 0.914 426 P CB 0.334 30.948 31.700 -1.811 0.000 0.793 427 L N -0.869 120.270 121.223 -0.140 0.000 2.012 427 L HA -0.173 4.166 4.340 -0.001 0.000 0.210 427 L C 2.266 179.150 176.870 0.023 0.000 1.073 427 L CA 1.851 56.774 54.840 0.138 0.000 0.748 427 L CB -1.244 40.936 42.059 0.201 0.000 0.891 427 L HN -0.085 nan 8.230 nan 0.000 0.431 428 I N -0.834 119.684 120.570 -0.087 0.000 2.252 428 I HA -0.260 3.910 4.170 -0.001 0.000 0.245 428 I C 2.564 178.642 176.117 -0.064 0.000 1.102 428 I CA 1.038 62.214 61.300 -0.206 0.000 1.385 428 I CB -0.698 37.072 38.000 -0.384 0.000 1.064 428 I HN 0.338 nan 8.210 nan 0.000 0.414 429 A N 0.715 123.505 122.820 -0.049 0.000 1.908 429 A HA -0.236 4.084 4.320 -0.001 0.000 0.218 429 A C 2.221 179.904 177.584 0.165 0.000 1.181 429 A CA 1.782 53.817 52.037 -0.004 0.000 0.627 429 A CB -0.597 18.313 19.000 -0.151 0.000 0.818 429 A HN 0.447 nan 8.150 nan 0.000 0.445 430 E N -0.319 119.954 120.200 0.122 0.000 2.077 430 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 430 E C 1.937 178.632 176.600 0.158 0.000 0.989 430 E CA 1.373 57.874 56.400 0.169 0.000 0.800 430 E CB -0.212 29.601 29.700 0.188 0.000 0.746 430 E HN 0.744 nan 8.360 nan 0.000 0.452 431 E N 0.515 120.793 120.200 0.130 0.000 2.268 431 E HA -0.133 4.216 4.350 -0.001 0.000 0.195 431 E C 1.575 178.263 176.600 0.146 0.000 0.995 431 E CA 0.475 56.952 56.400 0.127 0.000 0.836 431 E CB 0.128 29.898 29.700 0.116 0.000 0.763 431 E HN 0.151 nan 8.360 nan 0.000 0.491 432 Q N -0.382 119.531 119.800 0.187 0.000 2.322 432 Q HA 0.068 4.407 4.340 -0.001 0.000 0.203 432 Q C 0.800 176.911 176.000 0.185 0.000 0.923 432 Q CA 0.523 56.467 55.803 0.236 0.000 0.949 432 Q CB 1.057 30.009 28.738 0.356 0.000 1.039 432 Q HN 0.413 nan 8.270 nan 0.000 0.496 433 G N 0.447 109.326 108.800 0.132 0.000 2.147 433 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.244 433 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.244 433 G C -0.498 174.378 174.900 -0.041 0.000 1.005 433 G CA 0.023 45.134 45.100 0.019 0.000 0.713 433 G HN 0.272 nan 8.290 nan 0.000 0.515 434 W N 0.048 121.371 121.300 0.039 0.000 2.448 434 W HA 0.561 5.220 4.660 -0.001 0.000 0.339 434 W C 0.303 176.848 176.519 0.043 0.000 1.124 434 W CA -0.270 57.094 57.345 0.032 0.000 1.262 434 W CB 0.897 30.363 29.460 0.010 0.000 1.251 434 W HN 0.203 nan 8.180 nan 0.000 0.597 435 D N 1.787 122.382 120.400 0.325 0.000 2.313 435 D HA 0.138 4.778 4.640 -0.001 0.000 0.239 435 D C 0.864 177.315 176.300 0.251 0.000 1.142 435 D CA -0.126 54.011 54.000 0.227 0.000 0.847 435 D CB 0.990 41.891 40.800 0.168 0.000 1.082 435 D HN 0.379 nan 8.370 nan 0.000 0.480 436 L N 2.389 123.747 121.223 0.225 0.000 2.013 436 L HA -0.207 4.132 4.340 -0.001 0.000 0.212 436 L C 2.433 179.497 176.870 0.323 0.000 1.073 436 L CA 1.140 56.128 54.840 0.247 0.000 0.753 436 L CB -0.607 41.620 42.059 0.281 0.000 0.890 436 L HN 0.620 nan 8.230 nan 0.000 0.432 437 Q N 0.880 120.832 119.800 0.254 0.000 2.112 437 Q HA -0.304 4.036 4.340 -0.001 0.000 0.206 437 Q C 1.919 178.035 176.000 0.193 0.000 0.987 437 Q CA 2.393 58.325 55.803 0.216 0.000 0.858 437 Q CB -0.155 28.667 28.738 0.140 0.000 0.905 437 Q HN 0.661 nan 8.270 nan 0.000 0.420 438 E N -0.868 119.438 120.200 0.176 0.000 2.152 438 E HA -0.085 4.265 4.350 -0.001 0.000 0.192 438 E C 2.002 178.655 176.600 0.087 0.000 0.983 438 E CA 0.862 57.354 56.400 0.152 0.000 0.818 438 E CB 0.201 30.032 29.700 0.219 0.000 0.758 438 E HN 0.214 nan 8.360 nan 0.000 0.467 439 V N 0.460 120.395 119.914 0.035 0.000 2.307 439 V HA -0.211 3.908 4.120 -0.001 0.000 0.245 439 V C 1.928 177.847 176.094 -0.292 0.000 1.045 439 V CA 1.709 63.860 62.300 -0.249 0.000 1.024 439 V CB -0.603 30.981 31.823 -0.400 0.000 0.651 439 V HN 0.310 nan 8.190 nan 0.000 0.449 440 F N 0.540 120.455 119.950 -0.057 0.000 2.365 440 F HA -0.065 4.462 4.527 -0.001 0.000 0.300 440 F C 2.321 178.086 175.800 -0.059 0.000 1.090 440 F CA 1.138 59.120 58.000 -0.030 0.000 1.408 440 F CB -0.548 38.482 39.000 0.050 0.000 1.060 440 F HN 0.098 nan 8.300 nan 0.000 0.534 441 A N -0.072 122.797 122.820 0.081 0.000 1.930 441 A HA -0.045 4.275 4.320 -0.001 0.000 0.215 441 A C 2.154 179.682 177.584 -0.094 0.000 1.176 441 A CA 0.987 53.029 52.037 0.008 0.000 0.632 441 A CB -0.853 18.155 19.000 0.012 0.000 0.819 441 A HN 0.359 nan 8.150 nan 0.000 0.445 442 L N -0.661 120.476 121.223 -0.143 0.000 2.093 442 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 442 L C 3.088 179.736 176.870 -0.369 0.000 1.085 442 L CA 0.921 55.631 54.840 -0.217 0.000 0.755 442 L CB -0.523 41.408 42.059 -0.214 0.000 0.904 442 L HN 0.435 nan 8.230 nan 0.000 0.435 443 A N 0.261 122.790 122.820 -0.484 0.000 1.865 443 A HA -0.242 4.078 4.320 -0.001 0.000 0.217 443 A C 2.560 179.888 177.584 -0.427 0.000 1.191 443 A CA 1.964 53.491 52.037 -0.849 0.000 0.623 443 A CB -0.936 17.780 19.000 -0.474 0.000 0.826 443 A HN 0.392 nan 8.150 nan 0.000 0.444 444 A N -0.260 122.480 122.820 -0.135 0.000 1.917 444 A HA -0.239 4.081 4.320 -0.001 0.000 0.219 444 A C 2.246 179.859 177.584 0.048 0.000 1.182 444 A CA 1.869 53.912 52.037 0.010 0.000 0.633 444 A CB -0.510 18.529 19.000 0.065 0.000 0.819 444 A HN 0.594 nan 8.150 nan 0.000 0.448 445 R N -2.569 117.917 120.500 -0.023 0.000 2.115 445 R HA -0.079 4.261 4.340 -0.001 0.000 0.226 445 R C 2.138 178.499 176.300 0.102 0.000 1.100 445 R CA 1.345 57.466 56.100 0.035 0.000 0.980 445 R CB -0.460 29.632 30.300 -0.346 0.000 0.875 445 R HN 0.697 nan 8.270 nan 0.000 0.445 446 Y N 1.515 121.716 120.300 -0.166 0.000 2.114 446 Y HA -0.235 4.314 4.550 -0.001 0.000 0.284 446 Y C 2.350 178.249 175.900 -0.001 0.000 1.143 446 Y CA 1.459 59.478 58.100 -0.135 0.000 1.135 446 Y CB -0.494 37.730 38.460 -0.394 0.000 0.980 446 Y HN 0.033 nan 8.280 nan 0.000 0.499 447 A N 0.236 123.215 122.820 0.264 0.000 1.883 447 A HA -0.256 4.063 4.320 -0.001 0.000 0.217 447 A C 2.200 179.885 177.584 0.168 0.000 1.186 447 A CA 2.161 54.346 52.037 0.247 0.000 0.624 447 A CB -0.851 18.262 19.000 0.190 0.000 0.822 447 A HN 0.442 nan 8.150 nan 0.000 0.444 448 K N -0.096 120.411 120.400 0.179 0.000 2.074 448 K HA -0.152 4.168 4.320 -0.001 0.000 0.209 448 K C 2.183 178.935 176.600 0.253 0.000 1.048 448 K CA 1.829 58.236 56.287 0.199 0.000 0.926 448 K CB -0.261 32.402 32.500 0.271 0.000 0.713 448 K HN 0.492 nan 8.250 nan 0.000 0.444 449 R N -0.557 120.073 120.500 0.217 0.000 2.075 449 R HA -0.072 4.268 4.340 -0.001 0.000 0.232 449 R C 2.163 178.578 176.300 0.192 0.000 1.126 449 R CA 1.412 57.626 56.100 0.190 0.000 0.963 449 R CB -0.452 29.864 30.300 0.027 0.000 0.858 449 R HN 0.038 nan 8.270 nan 0.000 0.435 450 V N 1.281 121.248 119.914 0.088 0.000 2.453 450 V HA -0.279 3.840 4.120 -0.001 0.000 0.252 450 V C 2.470 178.672 176.094 0.180 0.000 1.068 450 V CA 2.325 64.683 62.300 0.096 0.000 1.070 450 V CB -0.970 30.922 31.823 0.116 0.000 0.664 450 V HN 0.584 nan 8.190 nan 0.000 0.461 451 T N -2.795 111.859 114.554 0.168 0.000 3.077 451 T HA -0.119 4.230 4.350 -0.001 0.000 0.269 451 T C 1.130 175.806 174.700 -0.039 0.000 1.146 451 T CA 1.122 63.265 62.100 0.072 0.000 1.091 451 T CB -0.538 68.251 68.868 -0.131 0.000 0.892 451 T HN 0.429 nan 8.240 nan 0.000 0.533 452 F N 2.321 122.334 119.950 0.105 0.000 2.653 452 F HA 0.366 4.892 4.527 -0.001 0.000 0.304 452 F C 1.467 177.300 175.800 0.055 0.000 1.092 452 F CA -0.843 57.201 58.000 0.073 0.000 1.279 452 F CB 0.106 39.107 39.000 0.001 0.000 1.044 452 F HN 0.208 nan 8.300 nan 0.000 0.564 453 S N 0.122 115.910 115.700 0.147 0.000 2.608 453 S HA 0.364 4.833 4.470 -0.001 0.000 0.261 453 S C -2.619 171.890 174.600 -0.153 0.000 1.314 453 S CA -1.330 56.840 58.200 -0.050 0.000 0.992 453 S CB 0.325 63.423 63.200 -0.171 0.000 0.935 453 S HN -0.137 nan 8.310 nan 0.000 0.564 454 P HA 0.354 nan 4.420 nan 0.000 0.276 454 P C -1.385 175.756 177.300 -0.264 0.000 1.235 454 P CA -0.047 62.977 63.100 -0.127 0.000 0.772 454 P CB -0.006 31.639 31.700 -0.092 0.000 0.871 455 Y N 0.980 121.339 120.300 0.099 0.000 2.376 455 Y HA 0.200 4.749 4.550 -0.001 0.000 0.340 455 Y C 1.290 177.253 175.900 0.104 0.000 0.965 455 Y CA -0.291 57.908 58.100 0.164 0.000 1.078 455 Y CB 1.551 40.148 38.460 0.229 0.000 1.193 455 Y HN 0.330 nan 8.280 nan 0.000 0.452 456 D N 1.736 122.266 120.400 0.216 0.000 2.194 456 D HA -0.097 4.543 4.640 -0.001 0.000 0.204 456 D C -0.438 175.783 176.300 -0.131 0.000 0.964 456 D CA 1.070 55.054 54.000 -0.026 0.000 0.846 456 D CB 0.127 40.819 40.800 -0.181 0.000 0.962 456 D HN 0.410 nan 8.370 nan 0.000 0.490 457 W N 1.662 123.051 121.300 0.148 0.000 2.390 457 W HA 0.263 4.923 4.660 -0.001 0.000 0.312 457 W C 1.661 178.251 176.519 0.117 0.000 1.123 457 W CA -0.782 56.649 57.345 0.144 0.000 1.202 457 W CB 0.992 30.588 29.460 0.228 0.000 1.251 457 W HN -0.157 nan 8.180 nan 0.000 0.511 458 E N 2.526 122.887 120.200 0.269 0.000 2.058 458 E HA -0.273 4.076 4.350 -0.001 0.000 0.194 458 E C 1.826 178.514 176.600 0.146 0.000 0.997 458 E CA 1.640 58.138 56.400 0.164 0.000 0.801 458 E CB -0.029 29.742 29.700 0.118 0.000 0.746 458 E HN 0.687 nan 8.360 nan 0.000 0.450 459 I N 0.462 121.127 120.570 0.158 0.000 2.335 459 I HA -0.267 3.902 4.170 -0.001 0.000 0.251 459 I C 1.980 178.125 176.117 0.047 0.000 1.129 459 I CA 1.206 62.538 61.300 0.054 0.000 1.402 459 I CB 0.012 37.986 38.000 -0.043 0.000 1.069 459 I HN 0.093 nan 8.210 nan 0.000 0.424 460 S N 0.670 116.458 115.700 0.145 0.000 2.371 460 S HA -0.092 4.378 4.470 -0.001 0.000 0.224 460 S C 1.937 176.517 174.600 -0.034 0.000 1.029 460 S CA 0.855 59.127 58.200 0.121 0.000 0.978 460 S CB -0.245 63.169 63.200 0.357 0.000 0.833 460 S HN 0.458 nan 8.310 nan 0.000 0.466 461 R N 1.319 121.840 120.500 0.035 0.000 2.083 461 R HA -0.104 4.235 4.340 -0.001 0.000 0.237 461 R C 2.333 178.605 176.300 -0.048 0.000 1.137 461 R CA 1.513 57.608 56.100 -0.009 0.000 0.951 461 R CB -0.414 29.934 30.300 0.079 0.000 0.851 461 R HN 0.561 nan 8.270 nan 0.000 0.434 462 E N 0.527 120.717 120.200 -0.017 0.000 2.031 462 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 462 E C 2.058 178.622 176.600 -0.059 0.000 0.994 462 E CA 1.054 57.435 56.400 -0.031 0.000 0.800 462 E CB -0.305 29.387 29.700 -0.012 0.000 0.752 462 E HN 0.180 nan 8.360 nan 0.000 0.447 463 I N 1.589 122.122 120.570 -0.061 0.000 2.286 463 I HA -0.224 3.946 4.170 -0.001 0.000 0.248 463 I C 2.147 178.198 176.117 -0.111 0.000 1.115 463 I CA 1.144 62.399 61.300 -0.075 0.000 1.392 463 I CB -0.095 37.868 38.000 -0.060 0.000 1.065 463 I HN 0.051 nan 8.210 nan 0.000 0.418 464 I N -0.150 120.326 120.570 -0.156 0.000 2.252 464 I HA -0.288 3.881 4.170 -0.001 0.000 0.245 464 I C 2.439 178.439 176.117 -0.195 0.000 1.102 464 I CA 1.289 62.461 61.300 -0.212 0.000 1.385 464 I CB -0.468 37.322 38.000 -0.350 0.000 1.064 464 I HN 0.317 nan 8.210 nan 0.000 0.414 465 Q N 1.794 121.494 119.800 -0.167 0.000 2.135 465 Q HA -0.267 4.073 4.340 -0.001 0.000 0.204 465 Q C 2.079 178.006 176.000 -0.122 0.000 0.981 465 Q CA 1.937 57.650 55.803 -0.151 0.000 0.856 465 Q CB -0.237 28.441 28.738 -0.099 0.000 0.902 465 Q HN 0.380 nan 8.270 nan 0.000 0.425 466 K N -1.249 119.090 120.400 -0.101 0.000 2.167 466 K HA -0.039 4.280 4.320 -0.001 0.000 0.203 466 K C 1.117 177.661 176.600 -0.093 0.000 1.052 466 K CA 1.234 57.471 56.287 -0.083 0.000 0.956 466 K CB 0.147 32.606 32.500 -0.068 0.000 0.735 466 K HN 0.208 nan 8.250 nan 0.000 0.451 467 N N 0.346 118.979 118.700 -0.111 0.000 2.436 467 N HA 0.026 4.765 4.740 -0.001 0.000 0.178 467 N C -0.271 175.157 175.510 -0.137 0.000 1.026 467 N CA 0.275 53.254 53.050 -0.119 0.000 0.880 467 N CB 0.242 38.659 38.487 -0.117 0.000 1.061 467 N HN 0.018 nan 8.380 nan 0.000 0.434 468 R N 1.034 121.442 120.500 -0.154 0.000 3.516 468 R HA -0.194 4.146 4.340 -0.001 0.000 0.271 468 R C -0.124 176.097 176.300 -0.133 0.000 1.098 468 R CA 0.204 56.211 56.100 -0.155 0.000 0.732 468 R CB -2.277 27.939 30.300 -0.140 0.000 1.152 468 R HN 0.424 nan 8.270 nan 0.000 0.455 469 R N 1.374 121.792 120.500 -0.136 0.000 2.570 469 R HA 0.227 4.566 4.340 -0.001 0.000 0.277 469 R C 0.879 177.126 176.300 -0.089 0.000 1.039 469 R CA 0.367 56.385 56.100 -0.136 0.000 1.065 469 R CB 0.347 30.572 30.300 -0.124 0.000 0.964 469 R HN 0.399 nan 8.270 nan 0.000 0.428 470 I N -0.312 120.207 120.570 -0.084 0.000 2.892 470 I HA 0.647 4.816 4.170 -0.001 0.000 0.306 470 I C -0.260 175.862 176.117 0.009 0.000 1.078 470 I CA -1.082 60.216 61.300 -0.004 0.000 1.032 470 I CB 2.592 40.617 38.000 0.042 0.000 1.229 470 I HN 0.636 nan 8.210 nan 0.000 0.435 471 G N 5.896 114.730 108.800 0.056 0.000 3.764 471 G HA2 0.483 4.442 3.960 -0.001 0.000 0.333 471 G HA3 0.483 4.442 3.960 -0.001 0.000 0.333 471 G C -0.565 174.412 174.900 0.128 0.000 1.551 471 G CA -0.243 44.894 45.100 0.062 0.000 0.995 471 G HN 0.374 nan 8.290 nan 0.000 0.485 472 I N 1.939 122.612 120.570 0.171 0.000 2.421 472 I HA 0.187 4.357 4.170 -0.001 0.000 0.291 472 I C 0.857 177.194 176.117 0.367 0.000 1.089 472 I CA -0.101 61.369 61.300 0.284 0.000 1.354 472 I CB 0.629 38.843 38.000 0.356 0.000 1.413 472 I HN 0.269 nan 8.210 nan 0.000 0.513 473 S N 7.216 123.083 115.700 0.279 0.000 2.616 473 S HA 0.619 5.088 4.470 -0.001 0.000 0.277 473 S C -0.285 174.451 174.600 0.227 0.000 1.234 473 S CA -0.701 57.657 58.200 0.264 0.000 1.028 473 S CB 1.021 64.268 63.200 0.078 0.000 0.988 473 S HN 0.608 nan 8.310 nan 0.000 0.522 474 M N 3.948 123.656 119.600 0.180 0.000 2.125 474 M HA 0.473 4.953 4.480 -0.001 0.000 0.321 474 M C -0.653 175.588 176.300 -0.098 0.000 0.983 474 M CA -0.151 55.105 55.300 -0.073 0.000 0.934 474 M CB 1.333 33.663 32.600 -0.449 0.000 1.542 474 M HN 0.636 nan 8.290 nan 0.000 0.424 475 S N 2.376 118.011 115.700 -0.108 0.000 2.689 475 S HA 0.840 5.309 4.470 -0.001 0.000 0.306 475 S C 0.557 175.247 174.600 0.151 0.000 1.104 475 S CA 0.423 58.649 58.200 0.044 0.000 0.973 475 S CB 1.615 64.915 63.200 0.166 0.000 1.121 475 S HN 1.243 nan 8.310 nan 0.000 0.523 476 G N 1.568 110.443 108.800 0.126 0.000 2.198 476 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.260 476 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.260 476 G C 0.642 175.589 174.900 0.077 0.000 1.025 476 G CA 0.608 45.755 45.100 0.077 0.000 0.769 476 G HN 0.680 nan 8.290 nan 0.000 0.507 477 I N -0.617 119.969 120.570 0.028 0.000 2.226 477 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 477 I C 2.813 178.962 176.117 0.054 0.000 1.100 477 I CA 1.644 62.989 61.300 0.075 0.000 1.374 477 I CB -0.237 37.756 38.000 -0.012 0.000 1.057 477 I HN 0.219 nan 8.210 nan 0.000 0.413 478 Q N 0.458 120.203 119.800 -0.090 0.000 2.119 478 Q HA -0.165 4.174 4.340 -0.001 0.000 0.201 478 Q C 1.811 177.838 176.000 0.044 0.000 0.972 478 Q CA 1.339 57.066 55.803 -0.128 0.000 0.847 478 Q CB -0.453 28.080 28.738 -0.341 0.000 0.903 478 Q HN 0.516 nan 8.270 nan 0.000 0.433 479 D N -0.382 120.086 120.400 0.113 0.000 2.097 479 D HA -0.166 4.474 4.640 -0.001 0.000 0.195 479 D C 1.608 178.033 176.300 0.207 0.000 0.989 479 D CA 0.765 54.880 54.000 0.192 0.000 0.827 479 D CB -0.436 40.486 40.800 0.203 0.000 0.966 479 D HN 0.297 nan 8.370 nan 0.000 0.456 480 W N 1.783 123.088 121.300 0.008 0.000 2.338 480 W HA -0.106 4.553 4.660 -0.001 0.000 0.304 480 W C 2.052 178.568 176.519 -0.005 0.000 1.212 480 W CA 1.126 58.472 57.345 0.003 0.000 1.264 480 W CB -0.517 28.936 29.460 -0.012 0.000 1.142 480 W HN -0.078 nan 8.180 nan 0.000 0.512 481 L N -0.308 120.875 121.223 -0.065 0.000 2.095 481 L HA -0.153 4.187 4.340 -0.001 0.000 0.204 481 L C 2.435 179.215 176.870 -0.150 0.000 1.080 481 L CA 0.822 55.506 54.840 -0.261 0.000 0.759 481 L CB -1.317 40.628 42.059 -0.189 0.000 0.914 481 L HN 0.031 nan 8.230 nan 0.000 0.439 482 L N -0.283 120.921 121.223 -0.032 0.000 2.046 482 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 482 L C 2.400 179.274 176.870 0.008 0.000 1.077 482 L CA 2.064 56.915 54.840 0.017 0.000 0.747 482 L CB -0.717 41.404 42.059 0.102 0.000 0.896 482 L HN 0.149 nan 8.230 nan 0.000 0.432 483 T N -0.760 113.804 114.554 0.016 0.000 2.639 483 T HA -0.199 4.150 4.350 -0.001 0.000 0.261 483 T C 2.032 176.710 174.700 -0.037 0.000 1.053 483 T CA 1.624 63.735 62.100 0.019 0.000 1.158 483 T CB -0.278 68.629 68.868 0.064 0.000 0.863 483 T HN 0.265 nan 8.240 nan 0.000 0.413 484 R N 0.224 120.655 120.500 -0.116 0.000 2.193 484 R HA 0.100 4.439 4.340 -0.001 0.000 0.229 484 R C 1.851 178.049 176.300 -0.171 0.000 1.110 484 R CA 0.872 56.865 56.100 -0.177 0.000 0.988 484 R CB -0.110 29.964 30.300 -0.376 0.000 0.871 484 R HN 0.384 nan 8.270 nan 0.000 0.458 485 L N -2.842 118.283 121.223 -0.164 0.000 2.609 485 L HA 0.314 4.653 4.340 -0.001 0.000 0.230 485 L C 1.390 178.215 176.870 -0.074 0.000 1.064 485 L CA 0.476 55.236 54.840 -0.133 0.000 0.873 485 L CB 0.646 42.605 42.059 -0.166 0.000 1.139 485 L HN 0.423 nan 8.230 nan 0.000 0.490 486 G N 1.109 109.880 108.800 -0.049 0.000 2.225 486 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.254 486 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.254 486 G C 0.096 174.993 174.900 -0.006 0.000 0.988 486 G CA 0.428 45.519 45.100 -0.015 0.000 0.625 486 G HN 0.492 nan 8.290 nan 0.000 0.527 487 N N -1.120 117.565 118.700 -0.025 0.000 2.972 487 N HA 0.477 5.216 4.740 -0.001 0.000 0.262 487 N C -0.719 174.775 175.510 -0.027 0.000 1.478 487 N CA -1.067 51.974 53.050 -0.015 0.000 0.841 487 N CB 0.694 39.166 38.487 -0.025 0.000 1.512 487 N HN 0.254 nan 8.380 nan 0.000 0.548 488 R N 0.088 120.584 120.500 -0.007 0.000 2.441 488 R HA 0.210 4.550 4.340 -0.001 0.000 0.284 488 R C 1.330 177.595 176.300 -0.058 0.000 1.070 488 R CA -0.628 55.477 56.100 0.008 0.000 1.047 488 R CB 1.504 31.855 30.300 0.084 0.000 1.016 488 R HN 0.437 nan 8.270 nan 0.000 0.477 489 V N 3.236 123.076 119.914 -0.123 0.000 2.428 489 V HA -0.162 3.957 4.120 -0.001 0.000 0.255 489 V C 0.589 176.609 176.094 -0.124 0.000 1.080 489 V CA 1.696 63.834 62.300 -0.270 0.000 1.083 489 V CB 0.201 31.689 31.823 -0.559 0.000 0.665 489 V HN 0.431 nan 8.190 nan 0.000 0.461 490 V N 1.609 121.501 119.914 -0.036 0.000 2.320 490 V HA 0.192 4.311 4.120 -0.001 0.000 0.265 490 V C 1.490 177.517 176.094 -0.112 0.000 1.048 490 V CA 0.573 62.823 62.300 -0.083 0.000 0.865 490 V CB 0.526 32.302 31.823 -0.079 0.000 1.043 490 V HN 0.678 nan 8.190 nan 0.000 0.474 491 T N 0.892 115.364 114.554 -0.138 0.000 3.088 491 T HA 0.426 4.775 4.350 -0.001 0.000 0.259 491 T C 0.832 175.478 174.700 -0.091 0.000 1.122 491 T CA 0.597 62.641 62.100 -0.094 0.000 1.095 491 T CB 0.355 69.176 68.868 -0.078 0.000 0.930 491 T HN 1.081 nan 8.240 nan 0.000 0.508 492 G N 0.015 108.703 108.800 -0.188 0.000 2.327 492 G HA2 0.441 4.400 3.960 -0.001 0.000 0.291 492 G HA3 0.441 4.400 3.960 -0.001 0.000 0.291 492 G C -2.165 172.542 174.900 -0.322 0.000 1.290 492 G CA -1.160 43.884 45.100 -0.092 0.000 0.857 492 G HN 0.146 nan 8.290 nan 0.000 0.520 493 F N 0.729 120.640 119.950 -0.065 0.000 2.565 493 F HA 0.701 5.227 4.527 -0.001 0.000 0.313 493 F C 0.428 176.185 175.800 -0.071 0.000 1.091 493 F CA -0.728 57.226 58.000 -0.075 0.000 0.915 493 F CB 2.768 41.728 39.000 -0.066 0.000 1.208 493 F HN 0.673 nan 8.300 nan 0.000 0.453 494 K N 0.549 120.994 120.400 0.075 0.000 2.340 494 K HA 0.604 4.923 4.320 -0.001 0.000 0.244 494 K C -1.408 175.188 176.600 -0.008 0.000 0.973 494 K CA -0.996 55.303 56.287 0.019 0.000 0.828 494 K CB 1.774 34.267 32.500 -0.013 0.000 1.226 494 K HN 0.302 nan 8.250 nan 0.000 0.437 495 D N 0.745 121.115 120.400 -0.050 0.000 2.368 495 D HA 0.281 4.920 4.640 -0.001 0.000 0.240 495 D C -0.526 175.662 176.300 -0.187 0.000 1.169 495 D CA 0.824 54.738 54.000 -0.144 0.000 0.906 495 D CB 0.749 41.456 40.800 -0.155 0.000 1.187 495 D HN 0.620 nan 8.370 nan 0.000 0.435 496 D N -1.211 118.948 120.400 -0.402 0.000 2.827 496 D HA 0.305 4.945 4.640 -0.001 0.000 0.336 496 D C -1.756 174.117 176.300 -0.713 0.000 1.374 496 D CA -0.447 53.342 54.000 -0.352 0.000 0.794 496 D CB 0.227 40.973 40.800 -0.090 0.000 1.364 496 D HN 0.125 nan 8.370 nan 0.000 0.464 497 F N 0.454 120.414 119.950 0.016 0.000 2.599 497 F HA 0.319 4.845 4.527 -0.001 0.000 0.311 497 F C 0.065 175.872 175.800 0.012 0.000 1.076 497 F CA -0.994 57.022 58.000 0.026 0.000 0.937 497 F CB 1.368 40.407 39.000 0.066 0.000 1.282 497 F HN 0.074 nan 8.300 nan 0.000 0.460 498 D N 4.000 124.501 120.400 0.169 0.000 2.450 498 D HA 0.086 4.725 4.640 -0.001 0.000 0.247 498 D C -1.315 175.008 176.300 0.038 0.000 1.162 498 D CA -1.149 52.896 54.000 0.076 0.000 0.879 498 D CB 1.025 41.853 40.800 0.047 0.000 1.163 498 D HN 0.175 nan 8.370 nan 0.000 0.472 499 P HA -0.186 nan 4.420 nan 0.000 0.220 499 P C 0.247 177.447 177.300 -0.167 0.000 1.144 499 P CA 1.407 64.462 63.100 -0.074 0.000 0.800 499 P CB 0.338 31.941 31.700 -0.163 0.000 0.772 500 E N -0.870 119.239 120.200 -0.152 0.000 2.279 500 E HA -0.006 4.344 4.350 -0.001 0.000 0.199 500 E C 1.940 178.296 176.600 -0.407 0.000 0.893 500 E CA 1.125 57.399 56.400 -0.210 0.000 0.978 500 E CB -0.328 29.376 29.700 0.007 0.000 0.964 500 E HN 0.247 nan 8.360 nan 0.000 0.486 501 T N -2.298 112.117 114.554 -0.232 0.000 3.081 501 T HA -0.000 4.349 4.350 -0.001 0.000 0.255 501 T C 0.206 174.847 174.700 -0.097 0.000 1.113 501 T CA 0.682 62.688 62.100 -0.156 0.000 1.082 501 T CB -0.284 68.569 68.868 -0.024 0.000 0.939 501 T HN 0.309 nan 8.240 nan 0.000 0.506 502 H N 0.242 119.359 119.070 0.078 0.000 3.211 502 H HA -0.145 4.410 4.556 -0.001 0.000 0.240 502 H C 0.259 175.719 175.328 0.219 0.000 1.148 502 H CA 0.798 56.909 56.048 0.105 0.000 1.160 502 H CB -1.922 27.836 29.762 -0.006 0.000 1.232 502 H HN 0.716 nan 8.280 nan 0.000 0.321 503 E N 1.460 121.790 120.200 0.217 0.000 2.414 503 E HA 0.380 4.729 4.350 -0.001 0.000 0.263 503 E C 0.441 177.151 176.600 0.183 0.000 1.000 503 E CA 0.253 56.757 56.400 0.175 0.000 0.914 503 E CB 0.590 30.327 29.700 0.063 0.000 0.948 503 E HN 0.427 nan 8.360 nan 0.000 0.444 504 A N 5.597 128.499 122.820 0.136 0.000 2.488 504 A HA 0.422 4.741 4.320 -0.001 0.000 0.249 504 A C 0.165 177.632 177.584 -0.195 0.000 1.083 504 A CA -0.096 51.823 52.037 -0.196 0.000 0.768 504 A CB -0.254 18.644 19.000 -0.170 0.000 1.017 504 A HN 0.634 nan 8.150 nan 0.000 0.496 505 I N -1.186 119.217 120.570 -0.279 0.000 3.195 505 I HA 0.590 4.760 4.170 -0.001 0.000 0.313 505 I C -0.949 175.065 176.117 -0.173 0.000 1.237 505 I CA -1.365 59.824 61.300 -0.184 0.000 0.963 505 I CB 2.126 40.041 38.000 -0.141 0.000 1.278 505 I HN 0.213 nan 8.210 nan 0.000 0.460 506 K N 2.772 123.108 120.400 -0.107 0.000 2.263 506 K HA 0.570 4.889 4.320 -0.001 0.000 0.272 506 K C -0.892 175.791 176.600 0.138 0.000 1.033 506 K CA -0.559 55.720 56.287 -0.013 0.000 0.884 506 K CB 1.996 34.438 32.500 -0.095 0.000 1.107 506 K HN 0.488 nan 8.250 nan 0.000 0.460 507 V N 5.642 125.629 119.914 0.123 0.000 2.612 507 V HA 0.342 4.462 4.120 -0.001 0.000 0.301 507 V C -1.944 174.154 176.094 0.008 0.000 1.046 507 V CA -1.993 60.355 62.300 0.080 0.000 0.946 507 V CB 1.756 33.566 31.823 -0.023 0.000 1.003 507 V HN 0.624 nan 8.190 nan 0.000 0.459 508 P HA 0.264 nan 4.420 nan 0.000 0.277 508 P C -1.095 175.765 177.300 -0.734 0.000 1.240 508 P CA -0.205 62.369 63.100 -0.877 0.000 0.798 508 P CB 1.513 32.707 31.700 -0.845 0.000 0.979 509 V N 3.722 123.225 119.914 -0.685 0.000 2.357 509 V HA 0.235 4.354 4.120 -0.001 0.000 0.284 509 V C -0.269 175.595 176.094 -0.384 0.000 1.018 509 V CA -0.457 61.596 62.300 -0.411 0.000 0.841 509 V CB 0.101 31.788 31.823 -0.227 0.000 0.991 509 V HN 0.386 nan 8.190 nan 0.000 0.437 510 Y N 1.554 121.817 120.300 -0.062 0.000 2.320 510 Y HA 0.325 4.874 4.550 -0.001 0.000 0.324 510 Y C 0.783 176.617 175.900 -0.111 0.000 1.190 510 Y CA -1.283 56.758 58.100 -0.100 0.000 1.215 510 Y CB 0.636 39.134 38.460 0.063 0.000 1.221 510 Y HN 0.558 nan 8.280 nan 0.000 0.486 511 D N 2.725 123.122 120.400 -0.005 0.000 2.342 511 D HA 0.011 4.650 4.640 -0.001 0.000 0.260 511 D C 0.474 176.753 176.300 -0.036 0.000 1.278 511 D CA 0.154 54.121 54.000 -0.055 0.000 0.910 511 D CB 0.633 41.361 40.800 -0.119 0.000 1.079 511 D HN 0.642 nan 8.370 nan 0.000 0.496 512 K N 2.731 123.130 120.400 -0.001 0.000 2.362 512 K HA -0.172 4.148 4.320 -0.001 0.000 0.202 512 K C 1.815 178.396 176.600 -0.032 0.000 1.045 512 K CA 0.827 57.112 56.287 -0.004 0.000 0.936 512 K CB 0.300 32.802 32.500 0.004 0.000 0.747 512 K HN 0.372 nan 8.250 nan 0.000 0.467 513 R N 0.429 120.898 120.500 -0.051 0.000 2.075 513 R HA -0.072 4.268 4.340 -0.001 0.000 0.232 513 R C 2.429 178.681 176.300 -0.080 0.000 1.126 513 R CA 1.169 57.229 56.100 -0.067 0.000 0.963 513 R CB -0.343 29.902 30.300 -0.090 0.000 0.858 513 R HN 0.184 nan 8.270 nan 0.000 0.435 514 A N 1.370 124.132 122.820 -0.097 0.000 1.940 514 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 514 A C 2.134 179.800 177.584 0.137 0.000 1.176 514 A CA 1.265 53.264 52.037 -0.063 0.000 0.631 514 A CB -0.532 18.333 19.000 -0.224 0.000 0.814 514 A HN 0.190 nan 8.150 nan 0.000 0.446 515 I N -0.780 119.850 120.570 0.101 0.000 2.163 515 I HA -0.283 3.886 4.170 -0.001 0.000 0.243 515 I C 2.563 178.649 176.117 -0.051 0.000 1.085 515 I CA 1.931 63.145 61.300 -0.144 0.000 1.347 515 I CB -0.247 37.505 38.000 -0.414 0.000 1.044 515 I HN 0.247 nan 8.210 nan 0.000 0.408 516 K N 1.632 122.021 120.400 -0.019 0.000 2.026 516 K HA -0.168 4.152 4.320 -0.001 0.000 0.208 516 K C 2.180 178.818 176.600 0.064 0.000 1.048 516 K CA 1.857 58.157 56.287 0.021 0.000 0.929 516 K CB -0.397 32.110 32.500 0.012 0.000 0.713 516 K HN 0.356 nan 8.250 nan 0.000 0.439 517 M N 0.012 119.648 119.600 0.061 0.000 2.159 517 M HA -0.104 4.375 4.480 -0.001 0.000 0.263 517 M C 2.026 178.466 176.300 0.234 0.000 1.063 517 M CA 2.107 57.491 55.300 0.139 0.000 1.110 517 M CB -0.958 31.671 32.600 0.047 0.000 1.374 517 M HN 0.006 nan 8.290 nan 0.000 0.411 518 V N -1.256 118.786 119.914 0.215 0.000 2.591 518 V HA -0.148 3.972 4.120 -0.001 0.000 0.249 518 V C 1.856 178.117 176.094 0.279 0.000 1.053 518 V CA 2.249 64.684 62.300 0.225 0.000 1.068 518 V CB -1.167 30.794 31.823 0.231 0.000 0.689 518 V HN 0.395 nan 8.190 nan 0.000 0.462 519 D N 0.431 120.954 120.400 0.204 0.000 2.144 519 D HA -0.203 4.436 4.640 -0.001 0.000 0.199 519 D C 2.244 178.660 176.300 0.193 0.000 0.984 519 D CA 1.768 55.897 54.000 0.215 0.000 0.834 519 D CB -0.205 40.680 40.800 0.143 0.000 0.955 519 D HN 0.640 nan 8.370 nan 0.000 0.465 520 Q N -0.491 119.392 119.800 0.137 0.000 2.167 520 Q HA -0.052 4.288 4.340 -0.001 0.000 0.202 520 Q C 2.417 178.456 176.000 0.065 0.000 0.970 520 Q CA 0.693 56.551 55.803 0.093 0.000 0.855 520 Q CB 0.035 28.826 28.738 0.088 0.000 0.911 520 Q HN 0.404 nan 8.270 nan 0.000 0.438 521 L N -0.585 120.670 121.223 0.053 0.000 2.093 521 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 521 L C 2.397 179.284 176.870 0.029 0.000 1.085 521 L CA 1.017 55.778 54.840 -0.133 0.000 0.755 521 L CB -0.540 41.205 42.059 -0.522 0.000 0.904 521 L HN 0.230 nan 8.230 nan 0.000 0.435 522 Y N 1.479 121.845 120.300 0.111 0.000 2.145 522 Y HA -0.246 4.304 4.550 -0.001 0.000 0.286 522 Y C 2.479 178.301 175.900 -0.131 0.000 1.145 522 Y CA 1.477 59.526 58.100 -0.085 0.000 1.148 522 Y CB -0.232 38.168 38.460 -0.101 0.000 0.981 522 Y HN -0.010 nan 8.280 nan 0.000 0.507 523 K N -0.063 120.213 120.400 -0.207 0.000 2.209 523 K HA -0.119 4.201 4.320 -0.001 0.000 0.204 523 K C 2.278 178.745 176.600 -0.222 0.000 1.048 523 K CA 0.957 57.068 56.287 -0.293 0.000 0.940 523 K CB -0.320 32.122 32.500 -0.097 0.000 0.729 523 K HN 0.409 nan 8.250 nan 0.000 0.451 524 A N 1.004 123.754 122.820 -0.116 0.000 1.930 524 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 524 A C 2.335 179.889 177.584 -0.051 0.000 1.175 524 A CA 1.149 53.161 52.037 -0.042 0.000 0.627 524 A CB -0.425 18.600 19.000 0.042 0.000 0.815 524 A HN 0.062 nan 8.150 nan 0.000 0.443 525 V N -0.488 119.370 119.914 -0.094 0.000 2.453 525 V HA -0.177 3.942 4.120 -0.001 0.000 0.247 525 V C 2.531 178.516 176.094 -0.181 0.000 1.048 525 V CA 1.760 64.023 62.300 -0.061 0.000 1.049 525 V CB -0.544 31.262 31.823 -0.029 0.000 0.672 525 V HN 0.359 nan 8.190 nan 0.000 0.457 526 V N 0.166 119.815 119.914 -0.441 0.000 2.358 526 V HA -0.268 3.851 4.120 -0.001 0.000 0.246 526 V C 2.414 178.379 176.094 -0.215 0.000 1.047 526 V CA 2.369 64.360 62.300 -0.516 0.000 1.035 526 V CB -0.614 30.756 31.823 -0.756 0.000 0.658 526 V HN 0.573 nan 8.190 nan 0.000 0.452 527 K N 0.479 120.778 120.400 -0.168 0.000 2.026 527 K HA -0.175 4.144 4.320 -0.001 0.000 0.208 527 K C 2.211 178.796 176.600 -0.026 0.000 1.048 527 K CA 1.615 57.856 56.287 -0.077 0.000 0.929 527 K CB -0.406 32.059 32.500 -0.059 0.000 0.713 527 K HN 0.385 nan 8.250 nan 0.000 0.439 528 A N 1.304 124.113 122.820 -0.018 0.000 1.908 528 A HA -0.259 4.061 4.320 -0.001 0.000 0.218 528 A C 1.876 179.502 177.584 0.071 0.000 1.181 528 A CA 2.320 54.365 52.037 0.014 0.000 0.627 528 A CB -0.912 18.095 19.000 0.011 0.000 0.818 528 A HN 0.668 nan 8.150 nan 0.000 0.445 529 D N -1.120 119.329 120.400 0.082 0.000 2.144 529 D HA -0.151 4.489 4.640 -0.001 0.000 0.200 529 D C 2.103 178.477 176.300 0.124 0.000 0.978 529 D CA 1.544 55.633 54.000 0.149 0.000 0.833 529 D CB -0.192 40.731 40.800 0.205 0.000 0.961 529 D HN 0.615 nan 8.370 nan 0.000 0.470 530 Q N -0.125 119.716 119.800 0.070 0.000 2.050 530 Q HA -0.142 4.198 4.340 -0.001 0.000 0.202 530 Q C 1.663 177.702 176.000 0.066 0.000 0.980 530 Q CA 1.540 57.374 55.803 0.052 0.000 0.840 530 Q CB -0.077 28.669 28.738 0.014 0.000 0.898 530 Q HN 0.407 nan 8.270 nan 0.000 0.424 531 D N -0.110 120.332 120.400 0.069 0.000 2.097 531 D HA -0.168 4.471 4.640 -0.001 0.000 0.195 531 D C 1.683 178.074 176.300 0.151 0.000 0.989 531 D CA 1.011 55.059 54.000 0.080 0.000 0.827 531 D CB -0.391 40.441 40.800 0.054 0.000 0.966 531 D HN 0.205 nan 8.370 nan 0.000 0.456 532 Y N 1.792 122.096 120.300 0.007 0.000 2.352 532 Y HA -0.113 4.436 4.550 -0.001 0.000 0.292 532 Y C 2.326 178.240 175.900 0.022 0.000 1.136 532 Y CA 0.523 58.627 58.100 0.007 0.000 1.227 532 Y CB -0.291 38.175 38.460 0.011 0.000 0.991 532 Y HN -0.144 nan 8.280 nan 0.000 0.545 533 S N -0.280 115.476 115.700 0.093 0.000 2.383 533 S HA -0.150 4.319 4.470 -0.001 0.000 0.227 533 S C 1.959 176.563 174.600 0.007 0.000 1.026 533 S CA 1.375 59.581 58.200 0.010 0.000 0.981 533 S CB -0.166 63.055 63.200 0.034 0.000 0.818 533 S HN 0.278 nan 8.310 nan 0.000 0.472 534 K N 1.876 122.297 120.400 0.035 0.000 1.985 534 K HA -0.051 4.269 4.320 -0.001 0.000 0.210 534 K C 2.058 178.669 176.600 0.018 0.000 1.047 534 K CA 2.103 58.405 56.287 0.025 0.000 0.932 534 K CB -1.306 31.214 32.500 0.033 0.000 0.716 534 K HN 0.214 nan 8.250 nan 0.000 0.439 535 T N 1.518 116.097 114.554 0.043 0.000 2.665 535 T HA -0.145 4.204 4.350 -0.001 0.000 0.268 535 T C 1.674 176.359 174.700 -0.024 0.000 1.035 535 T CA 1.850 63.974 62.100 0.039 0.000 1.151 535 T CB -0.229 68.716 68.868 0.128 0.000 0.862 535 T HN 0.164 nan 8.240 nan 0.000 0.438 536 L N -0.103 121.062 121.223 -0.098 0.000 2.341 536 L HA 0.206 4.545 4.340 -0.001 0.000 0.214 536 L C 2.010 178.838 176.870 -0.070 0.000 1.115 536 L CA 0.619 55.356 54.840 -0.171 0.000 0.820 536 L CB -0.555 41.289 42.059 -0.358 0.000 0.944 536 L HN 0.536 nan 8.230 nan 0.000 0.452 537 G N 0.334 109.116 108.800 -0.030 0.000 2.160 537 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.244 537 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.244 537 G C 0.251 175.167 174.900 0.026 0.000 1.022 537 G CA 0.162 45.262 45.100 0.000 0.000 0.741 537 G HN 0.479 nan 8.290 nan 0.000 0.508 538 C N -1.383 117.943 119.300 0.042 0.000 2.547 538 C HA 0.862 5.322 4.460 -0.001 0.000 0.411 538 C C 0.792 175.789 174.990 0.012 0.000 1.424 538 C CA -1.644 57.409 59.018 0.058 0.000 1.848 538 C CB 0.951 28.783 27.740 0.153 0.000 2.062 538 C HN 0.403 nan 8.230 nan 0.000 0.504 539 N N 1.364 120.054 118.700 -0.016 0.000 2.482 539 N HA 0.212 4.951 4.740 -0.001 0.000 0.260 539 N C -0.292 175.202 175.510 -0.026 0.000 1.236 539 N CA 0.143 53.176 53.050 -0.028 0.000 0.938 539 N CB 0.444 38.900 38.487 -0.052 0.000 1.128 539 N HN 0.713 nan 8.380 nan 0.000 0.448 540 E N 0.273 120.463 120.200 -0.017 0.000 2.366 540 E HA 0.122 4.471 4.350 -0.001 0.000 0.266 540 E C -0.216 176.351 176.600 -0.054 0.000 1.051 540 E CA -0.242 56.157 56.400 -0.002 0.000 0.884 540 E CB 0.701 30.420 29.700 0.031 0.000 1.006 540 E HN 0.372 nan 8.360 nan 0.000 0.417 541 S N 2.184 117.828 115.700 -0.093 0.000 2.544 541 S HA -0.065 4.404 4.470 -0.001 0.000 0.290 541 S C 1.193 175.576 174.600 -0.361 0.000 1.276 541 S CA -0.144 57.904 58.200 -0.253 0.000 1.075 541 S CB 0.226 63.208 63.200 -0.362 0.000 0.849 541 S HN 0.514 nan 8.310 nan 0.000 0.494 542 I N 1.843 122.261 120.570 -0.253 0.000 2.286 542 I HA -0.117 4.052 4.170 -0.001 0.000 0.248 542 I C 0.393 176.368 176.117 -0.237 0.000 1.115 542 I CA 1.439 62.626 61.300 -0.188 0.000 1.392 542 I CB 0.118 38.038 38.000 -0.132 0.000 1.065 542 I HN 0.389 nan 8.210 nan 0.000 0.418 543 K N -0.846 119.338 120.400 -0.360 0.000 2.480 543 K HA 0.374 4.694 4.320 -0.001 0.000 0.258 543 K C -0.656 175.655 176.600 -0.481 0.000 0.990 543 K CA -0.567 55.558 56.287 -0.269 0.000 0.857 543 K CB 1.621 34.052 32.500 -0.115 0.000 1.384 543 K HN 0.011 nan 8.250 nan 0.000 0.446 544 H N -1.809 117.249 119.070 -0.019 0.000 3.207 544 H HA 0.105 4.661 4.556 -0.001 0.000 0.237 544 H C 0.075 175.366 175.328 -0.061 0.000 0.959 544 H CA 0.188 56.221 56.048 -0.024 0.000 1.091 544 H CB 0.742 30.485 29.762 -0.031 0.000 1.447 544 H HN 0.644 nan 8.280 nan 0.000 0.477 545 T N -1.729 112.817 114.554 -0.013 0.000 2.930 545 T HA 0.684 5.034 4.350 -0.001 0.000 0.290 545 T C 0.010 174.583 174.700 -0.211 0.000 1.052 545 T CA -0.487 61.462 62.100 -0.250 0.000 1.017 545 T CB 2.973 71.303 68.868 -0.898 0.000 1.137 545 T HN 0.199 nan 8.240 nan 0.000 0.511 546 T N -0.672 113.837 114.554 -0.075 0.000 2.658 546 T HA 0.556 4.906 4.350 -0.001 0.000 0.305 546 T C -2.115 172.748 174.700 0.270 0.000 1.551 546 T CA -0.539 61.589 62.100 0.046 0.000 0.985 546 T CB 1.347 70.236 68.868 0.035 0.000 1.731 546 T HN 0.796 nan 8.240 nan 0.000 0.486 547 V N 2.396 122.419 119.914 0.181 0.000 2.569 547 V HA 0.653 4.772 4.120 -0.001 0.000 0.301 547 V C -0.596 175.530 176.094 0.053 0.000 1.044 547 V CA -0.771 61.627 62.300 0.163 0.000 0.874 547 V CB 1.735 33.652 31.823 0.156 0.000 1.002 547 V HN 0.841 nan 8.190 nan 0.000 0.424 548 K N 6.620 127.029 120.400 0.015 0.000 2.345 548 K HA 0.584 4.903 4.320 -0.001 0.000 0.255 548 K C -2.565 173.983 176.600 -0.086 0.000 0.934 548 K CA -2.012 54.258 56.287 -0.027 0.000 0.801 548 K CB 2.884 35.377 32.500 -0.012 0.000 1.137 548 K HN 0.374 nan 8.250 nan 0.000 0.424 549 P HA 0.093 nan 4.420 nan 0.000 0.214 549 P C -0.937 176.297 177.300 -0.111 0.000 1.807 549 P CA -0.350 62.595 63.100 -0.258 0.000 0.921 549 P CB -0.018 31.352 31.700 -0.549 0.000 1.835 550 S N 0.857 116.529 115.700 -0.047 0.000 2.711 550 S HA 0.110 4.580 4.470 -0.001 0.000 0.335 550 S C 1.962 176.576 174.600 0.024 0.000 1.175 550 S CA 0.157 58.358 58.200 0.002 0.000 1.372 550 S CB -0.216 62.990 63.200 0.009 0.000 1.337 550 S HN 0.400 nan 8.310 nan 0.000 0.572 551 G N 3.500 112.310 108.800 0.016 0.000 2.511 551 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.216 551 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.216 551 G C 1.483 176.400 174.900 0.029 0.000 1.218 551 G CA 1.392 46.503 45.100 0.019 0.000 0.788 551 G HN 0.604 nan 8.290 nan 0.000 0.560 552 T N 0.694 115.272 114.554 0.039 0.000 2.635 552 T HA -0.161 4.188 4.350 -0.001 0.000 0.267 552 T C 2.447 177.227 174.700 0.134 0.000 1.040 552 T CA 1.489 63.626 62.100 0.062 0.000 1.156 552 T CB -0.531 68.385 68.868 0.080 0.000 0.863 552 T HN 0.020 nan 8.240 nan 0.000 0.430 553 V N 1.474 121.489 119.914 0.168 0.000 2.407 553 V HA -0.144 3.975 4.120 -0.001 0.000 0.248 553 V C 2.805 178.999 176.094 0.168 0.000 1.055 553 V CA 1.583 63.989 62.300 0.176 0.000 1.049 553 V CB -1.076 30.809 31.823 0.102 0.000 0.662 553 V HN 0.565 nan 8.190 nan 0.000 0.455 554 A N -0.575 122.325 122.820 0.133 0.000 2.019 554 A HA -0.213 4.106 4.320 -0.001 0.000 0.219 554 A C 2.228 179.756 177.584 -0.093 0.000 1.164 554 A CA 1.654 53.692 52.037 0.002 0.000 0.644 554 A CB -0.359 18.661 19.000 0.034 0.000 0.805 554 A HN 0.571 nan 8.150 nan 0.000 0.449 555 K N -0.300 120.092 120.400 -0.013 0.000 2.155 555 K HA 0.083 4.402 4.320 -0.001 0.000 0.203 555 K C 1.678 178.282 176.600 0.006 0.000 1.052 555 K CA 0.820 57.094 56.287 -0.022 0.000 0.948 555 K CB -0.292 32.185 32.500 -0.038 0.000 0.728 555 K HN 0.454 nan 8.250 nan 0.000 0.448 556 L N 0.373 121.629 121.223 0.055 0.000 2.042 556 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 556 L C 2.237 179.180 176.870 0.121 0.000 1.076 556 L CA 1.431 56.362 54.840 0.152 0.000 0.749 556 L CB -0.414 41.732 42.059 0.145 0.000 0.893 556 L HN 0.208 nan 8.230 nan 0.000 0.432 557 A N -1.054 121.710 122.820 -0.093 0.000 2.348 557 A HA 0.367 4.687 4.320 -0.001 0.000 0.224 557 A C 1.570 179.105 177.584 -0.082 0.000 1.227 557 A CA 0.541 52.486 52.037 -0.154 0.000 0.885 557 A CB -0.031 18.642 19.000 -0.545 0.000 0.933 557 A HN 0.486 nan 8.150 nan 0.000 0.506 558 G N -0.973 107.786 108.800 -0.068 0.000 2.225 558 G HA2 0.060 4.020 3.960 -0.001 0.000 0.267 558 G HA3 0.060 4.020 3.960 -0.001 0.000 0.267 558 G C 0.399 175.280 174.900 -0.030 0.000 1.024 558 G CA 0.587 45.685 45.100 -0.003 0.000 0.784 558 G HN 1.532 nan 8.290 nan 0.000 0.507 559 A N -0.165 122.532 122.820 -0.204 0.000 2.279 559 A HA 0.867 5.186 4.320 -0.001 0.000 0.303 559 A C 0.967 178.523 177.584 -0.046 0.000 1.108 559 A CA 0.611 52.535 52.037 -0.189 0.000 0.830 559 A CB 0.659 19.324 19.000 -0.558 0.000 1.106 559 A HN 1.879 nan 8.150 nan 0.000 0.493 560 S N 0.919 116.609 115.700 -0.017 0.000 2.572 560 S HA 0.209 4.679 4.470 -0.001 0.000 0.279 560 S C -0.259 174.282 174.600 -0.099 0.000 1.341 560 S CA -0.428 57.663 58.200 -0.181 0.000 1.043 560 S CB 0.198 63.168 63.200 -0.383 0.000 0.887 560 S HN 0.611 nan 8.310 nan 0.000 0.516 561 E N 1.995 122.140 120.200 -0.092 0.000 2.180 561 E HA 0.431 4.781 4.350 -0.001 0.000 0.283 561 E C 1.321 177.800 176.600 -0.202 0.000 1.061 561 E CA -0.076 56.270 56.400 -0.091 0.000 0.861 561 E CB 0.337 29.996 29.700 -0.067 0.000 1.056 561 E HN 0.953 nan 8.360 nan 0.000 0.407 562 G N 4.390 113.108 108.800 -0.138 0.000 2.651 562 G HA2 -0.413 3.546 3.960 -0.001 0.000 0.315 562 G HA3 -0.413 3.546 3.960 -0.001 0.000 0.315 562 G C 0.768 175.576 174.900 -0.153 0.000 1.258 562 G CA 0.963 45.965 45.100 -0.163 0.000 1.002 562 G HN 0.729 nan 8.290 nan 0.000 0.551 563 M N -0.061 119.443 119.600 -0.160 0.000 2.428 563 M HA 0.445 4.924 4.480 -0.001 0.000 0.239 563 M C 0.619 176.816 176.300 -0.171 0.000 1.121 563 M CA 0.018 55.237 55.300 -0.136 0.000 1.019 563 M CB 0.202 32.771 32.600 -0.052 0.000 1.485 563 M HN 0.404 nan 8.290 nan 0.000 0.484 564 H N 1.227 120.164 119.070 -0.221 0.000 2.836 564 H HA 0.288 4.844 4.556 -0.001 0.000 0.368 564 H C -0.696 174.405 175.328 -0.378 0.000 1.164 564 H CA -0.197 55.731 56.048 -0.200 0.000 1.425 564 H CB 0.117 29.836 29.762 -0.071 0.000 1.414 564 H HN 0.183 nan 8.280 nan 0.000 0.614 565 F N 0.211 120.158 119.950 -0.006 0.000 2.411 565 F HA 0.186 4.712 4.527 -0.001 0.000 0.324 565 F C 1.310 177.046 175.800 -0.107 0.000 1.086 565 F CA -0.484 57.446 58.000 -0.117 0.000 1.028 565 F CB 0.613 39.538 39.000 -0.125 0.000 1.284 565 F HN 0.410 nan 8.300 nan 0.000 0.501 566 H N 0.343 119.540 119.070 0.212 0.000 2.629 566 H HA -0.032 4.523 4.556 -0.001 0.000 0.357 566 H C 0.519 175.993 175.328 0.244 0.000 1.121 566 H CA 0.179 56.369 56.048 0.237 0.000 1.406 566 H CB 0.666 30.624 29.762 0.326 0.000 1.456 566 H HN 0.761 nan 8.280 nan 0.000 0.579 567 Y N 1.684 122.160 120.300 0.294 0.000 2.274 567 Y HA -0.039 4.510 4.550 -0.001 0.000 0.290 567 Y C 0.834 176.877 175.900 0.238 0.000 1.145 567 Y CA 1.277 59.511 58.100 0.224 0.000 1.203 567 Y CB 0.467 39.029 38.460 0.169 0.000 0.984 567 Y HN 0.723 nan 8.280 nan 0.000 0.533 568 G N -2.383 106.634 108.800 0.361 0.000 2.632 568 G HA2 0.444 4.403 3.960 -0.001 0.000 0.292 568 G HA3 0.444 4.403 3.960 -0.001 0.000 0.292 568 G C -0.048 174.986 174.900 0.223 0.000 1.465 568 G CA -0.355 44.909 45.100 0.273 0.000 0.824 568 G HN 0.260 nan 8.290 nan 0.000 0.509 569 A N -0.141 122.694 122.820 0.026 0.000 1.858 569 A HA 0.300 4.619 4.320 -0.001 0.000 0.216 569 A C 0.451 177.569 177.584 -0.776 0.000 1.190 569 A CA 1.305 52.928 52.037 -0.691 0.000 0.617 569 A CB -0.363 18.112 19.000 -0.874 0.000 0.827 569 A HN 0.723 nan 8.150 nan 0.000 0.443 570 Y N -1.262 118.953 120.300 -0.142 0.000 2.361 570 Y HA 0.691 5.241 4.550 -0.001 0.000 0.337 570 Y C -0.376 175.549 175.900 0.042 0.000 0.965 570 Y CA -0.679 57.348 58.100 -0.122 0.000 1.091 570 Y CB 1.534 39.934 38.460 -0.100 0.000 1.182 570 Y HN 0.114 nan 8.280 nan 0.000 0.450 571 L N 3.699 125.055 121.223 0.221 0.000 2.409 571 L HA 0.582 4.921 4.340 -0.001 0.000 0.255 571 L C -1.281 175.736 176.870 0.246 0.000 1.027 571 L CA -1.089 53.892 54.840 0.235 0.000 0.834 571 L CB 2.413 44.609 42.059 0.228 0.000 1.426 571 L HN 0.386 nan 8.230 nan 0.000 0.411 572 I N 1.982 122.679 120.570 0.210 0.000 2.328 572 I HA 0.306 4.476 4.170 -0.001 0.000 0.287 572 I C -0.365 175.860 176.117 0.179 0.000 1.012 572 I CA -0.203 61.218 61.300 0.202 0.000 1.195 572 I CB 1.363 39.459 38.000 0.159 0.000 1.350 572 I HN 0.606 nan 8.210 nan 0.000 0.464 573 Q N 6.350 126.279 119.800 0.215 0.000 2.278 573 Q HA 0.438 4.778 4.340 -0.001 0.000 0.257 573 Q C -0.428 175.709 176.000 0.228 0.000 0.928 573 Q CA -0.663 55.237 55.803 0.162 0.000 0.932 573 Q CB 2.281 31.090 28.738 0.118 0.000 1.221 573 Q HN 0.441 nan 8.270 nan 0.000 0.434 574 R N 2.305 122.893 120.500 0.147 0.000 2.265 574 R HA 0.458 4.798 4.340 -0.001 0.000 0.319 574 R C -0.438 175.930 176.300 0.112 0.000 1.006 574 R CA -0.614 55.592 56.100 0.177 0.000 0.880 574 R CB 0.955 31.328 30.300 0.122 0.000 1.077 574 R HN 0.424 nan 8.270 nan 0.000 0.454 575 I N 3.739 124.423 120.570 0.191 0.000 2.378 575 I HA 0.344 4.513 4.170 -0.001 0.000 0.291 575 I C 0.404 176.507 176.117 -0.023 0.000 0.992 575 I CA -0.776 60.516 61.300 -0.012 0.000 1.154 575 I CB 1.492 39.452 38.000 -0.067 0.000 1.315 575 I HN 0.453 nan 8.210 nan 0.000 0.448 576 R N 5.693 126.065 120.500 -0.212 0.000 2.297 576 R HA 0.643 4.983 4.340 -0.001 0.000 0.308 576 R C -1.317 174.750 176.300 -0.389 0.000 1.029 576 R CA -0.390 55.625 56.100 -0.141 0.000 0.929 576 R CB 1.104 31.355 30.300 -0.082 0.000 1.046 576 R HN 0.277 nan 8.270 nan 0.000 0.461 577 F N 0.351 120.291 119.950 -0.017 0.000 2.563 577 F HA 0.267 4.794 4.527 -0.001 0.000 0.316 577 F C 0.587 176.372 175.800 -0.025 0.000 1.076 577 F CA -0.997 56.984 58.000 -0.031 0.000 0.921 577 F CB 1.769 40.755 39.000 -0.022 0.000 1.209 577 F HN 0.277 nan 8.300 nan 0.000 0.462 578 Q N 1.317 121.205 119.800 0.148 0.000 2.364 578 Q HA 0.020 4.359 4.340 -0.001 0.000 0.267 578 Q C 0.279 176.339 176.000 0.100 0.000 0.999 578 Q CA -0.059 55.793 55.803 0.081 0.000 0.886 578 Q CB 0.721 29.485 28.738 0.043 0.000 1.243 578 Q HN 0.549 nan 8.270 nan 0.000 0.415 579 D N 0.380 120.818 120.400 0.063 0.000 2.311 579 D HA -0.102 4.538 4.640 -0.001 0.000 0.212 579 D C 0.851 177.173 176.300 0.038 0.000 0.972 579 D CA 1.154 55.183 54.000 0.047 0.000 0.887 579 D CB 0.227 41.044 40.800 0.029 0.000 0.915 579 D HN 0.293 nan 8.370 nan 0.000 0.497 580 S N -0.194 115.530 115.700 0.040 0.000 2.548 580 S HA -0.042 4.427 4.470 -0.001 0.000 0.215 580 S C 0.455 175.083 174.600 0.047 0.000 0.976 580 S CA -0.425 57.796 58.200 0.034 0.000 0.908 580 S CB 0.355 63.569 63.200 0.024 0.000 0.781 580 S HN 0.228 nan 8.310 nan 0.000 0.519 581 D N 2.535 122.975 120.400 0.066 0.000 2.531 581 D HA 0.003 4.643 4.640 -0.001 0.000 0.239 581 D C -1.792 174.552 176.300 0.074 0.000 1.144 581 D CA -1.173 52.878 54.000 0.084 0.000 0.869 581 D CB 1.091 41.991 40.800 0.167 0.000 1.160 581 D HN 0.027 nan 8.370 nan 0.000 0.484 582 P HA -0.112 nan 4.420 nan 0.000 0.218 582 P C 1.494 178.967 177.300 0.288 0.000 1.146 582 P CA 0.862 64.094 63.100 0.220 0.000 0.813 582 P CB 0.199 32.092 31.700 0.322 0.000 0.778 583 L N -1.897 119.392 121.223 0.110 0.000 2.291 583 L HA -0.101 4.239 4.340 -0.001 0.000 0.214 583 L C 2.308 179.116 176.870 -0.104 0.000 1.120 583 L CA 0.746 55.577 54.840 -0.015 0.000 0.799 583 L CB -0.755 41.175 42.059 -0.214 0.000 0.925 583 L HN 0.003 nan 8.230 nan 0.000 0.446 584 L N 0.344 121.463 121.223 -0.174 0.000 2.012 584 L HA -0.155 4.185 4.340 -0.001 0.000 0.210 584 L C -0.014 176.810 176.870 -0.076 0.000 1.073 584 L CA 1.505 56.219 54.840 -0.211 0.000 0.748 584 L CB -1.888 40.075 42.059 -0.158 0.000 0.891 584 L HN 0.261 nan 8.230 nan 0.000 0.431 585 P HA -0.178 nan 4.420 nan 0.000 0.217 585 P C 1.358 178.686 177.300 0.047 0.000 1.150 585 P CA 1.938 65.053 63.100 0.024 0.000 0.832 585 P CB 0.037 31.761 31.700 0.040 0.000 0.787 586 A N -0.047 122.836 122.820 0.106 0.000 1.898 586 A HA -0.104 4.216 4.320 -0.001 0.000 0.216 586 A C 2.423 180.064 177.584 0.095 0.000 1.181 586 A CA 1.216 53.337 52.037 0.139 0.000 0.620 586 A CB -1.559 17.625 19.000 0.307 0.000 0.819 586 A HN 0.113 nan 8.150 nan 0.000 0.442 587 L N -0.622 120.617 121.223 0.027 0.000 2.056 587 L HA -0.181 4.158 4.340 -0.001 0.000 0.207 587 L C 2.571 179.506 176.870 0.109 0.000 1.078 587 L CA 1.567 56.422 54.840 0.024 0.000 0.749 587 L CB -0.380 41.518 42.059 -0.269 0.000 0.901 587 L HN 0.334 nan 8.230 nan 0.000 0.433 588 K N 0.073 120.482 120.400 0.016 0.000 2.057 588 K HA -0.135 4.185 4.320 -0.001 0.000 0.207 588 K C 2.165 178.775 176.600 0.017 0.000 1.049 588 K CA 1.373 57.667 56.287 0.012 0.000 0.931 588 K CB -0.281 32.212 32.500 -0.012 0.000 0.714 588 K HN 0.277 nan 8.250 nan 0.000 0.440 589 A N 0.702 123.536 122.820 0.024 0.000 2.067 589 A HA -0.140 4.179 4.320 -0.001 0.000 0.219 589 A C 2.069 179.653 177.584 0.000 0.000 1.158 589 A CA 1.126 53.169 52.037 0.011 0.000 0.661 589 A CB -0.593 18.418 19.000 0.019 0.000 0.801 589 A HN 0.402 nan 8.150 nan 0.000 0.452 590 C N -1.688 117.628 119.300 0.027 0.000 2.626 590 C HA 0.464 4.923 4.460 -0.001 0.000 0.266 590 C C 2.039 176.921 174.990 -0.180 0.000 1.317 590 C CA 0.319 59.317 59.018 -0.034 0.000 1.716 590 C CB -0.843 26.935 27.740 0.064 0.000 1.819 590 C HN 0.990 nan 8.230 nan 0.000 0.578 591 G N -0.960 107.755 108.800 -0.141 0.000 2.201 591 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.212 591 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.212 591 G C -0.086 174.667 174.900 -0.244 0.000 0.994 591 G CA -0.431 44.546 45.100 -0.205 0.000 0.644 591 G HN 0.458 nan 8.290 nan 0.000 0.508 592 Y N 1.973 122.174 120.300 -0.165 0.000 2.610 592 Y HA 0.401 4.950 4.550 -0.001 0.000 0.332 592 Y C 1.607 177.401 175.900 -0.175 0.000 1.201 592 Y CA 0.123 58.082 58.100 -0.235 0.000 1.465 592 Y CB 0.436 38.674 38.460 -0.370 0.000 1.283 592 Y HN 0.119 nan 8.280 nan 0.000 0.563 593 R N 1.781 122.278 120.500 -0.005 0.000 2.390 593 R HA 0.343 4.682 4.340 -0.001 0.000 0.291 593 R C -0.028 176.271 176.300 -0.002 0.000 1.070 593 R CA -0.210 55.883 56.100 -0.012 0.000 1.014 593 R CB 0.716 31.008 30.300 -0.014 0.000 1.007 593 R HN 0.788 nan 8.270 nan 0.000 0.466 594 T N -0.779 113.774 114.554 -0.002 0.000 2.901 594 T HA 0.575 4.925 4.350 -0.001 0.000 0.293 594 T C -0.848 173.857 174.700 0.009 0.000 1.084 594 T CA -1.014 61.090 62.100 0.006 0.000 1.008 594 T CB 2.414 71.277 68.868 -0.008 0.000 1.170 594 T HN 0.734 nan 8.240 nan 0.000 0.509 595 E N 0.265 120.476 120.200 0.018 0.000 2.388 595 E HA 0.568 4.917 4.350 -0.001 0.000 0.280 595 E C -1.077 175.527 176.600 0.008 0.000 1.019 595 E CA -1.534 54.870 56.400 0.007 0.000 0.806 595 E CB 1.321 31.023 29.700 0.003 0.000 1.246 595 E HN 0.946 nan 8.360 nan 0.000 0.443 596 A N 1.770 124.586 122.820 -0.007 0.000 2.477 596 A HA 0.201 4.520 4.320 -0.001 0.000 0.246 596 A C -0.142 177.424 177.584 -0.031 0.000 1.078 596 A CA 0.202 52.232 52.037 -0.012 0.000 0.770 596 A CB 0.227 19.214 19.000 -0.022 0.000 1.011 596 A HN 0.642 nan 8.150 nan 0.000 0.494 597 D N 1.666 122.053 120.400 -0.022 0.000 2.351 597 D HA 0.199 4.838 4.640 -0.001 0.000 0.251 597 D C 1.181 177.406 176.300 -0.124 0.000 1.137 597 D CA -0.074 53.897 54.000 -0.049 0.000 0.879 597 D CB 0.421 41.228 40.800 0.011 0.000 1.181 597 D HN 0.426 nan 8.370 nan 0.000 0.448 598 I N 0.823 121.218 120.570 -0.290 0.000 3.419 598 I HA -0.008 4.162 4.170 -0.001 0.000 0.286 598 I C 0.326 176.218 176.117 -0.376 0.000 1.268 598 I CA 0.217 61.296 61.300 -0.370 0.000 1.414 598 I CB -0.233 37.471 38.000 -0.493 0.000 1.074 598 I HN 0.275 nan 8.210 nan 0.000 0.457 599 Y N 2.103 122.392 120.300 -0.018 0.000 2.500 599 Y HA 0.304 4.853 4.550 -0.001 0.000 0.270 599 Y C 0.468 176.349 175.900 -0.032 0.000 1.134 599 Y CA -0.209 57.875 58.100 -0.028 0.000 1.293 599 Y CB -0.018 38.421 38.460 -0.035 0.000 1.063 599 Y HN 0.089 nan 8.280 nan 0.000 0.534 600 T N -0.149 114.449 114.554 0.073 0.000 2.952 600 T HA 0.194 4.543 4.350 -0.001 0.000 0.305 600 T C -0.854 173.851 174.700 0.008 0.000 1.064 600 T CA -1.019 61.103 62.100 0.037 0.000 1.008 600 T CB 2.540 71.427 68.868 0.032 0.000 1.078 600 T HN 0.016 nan 8.240 nan 0.000 0.459 601 E N 2.219 122.420 120.200 0.002 0.000 2.398 601 E HA 0.071 4.421 4.350 -0.001 0.000 0.263 601 E C 0.090 176.691 176.600 0.001 0.000 1.046 601 E CA -0.239 56.159 56.400 -0.003 0.000 0.908 601 E CB 0.265 29.962 29.700 -0.005 0.000 0.963 601 E HN 0.598 nan 8.360 nan 0.000 0.431 602 N N 2.030 120.731 118.700 0.001 0.000 2.714 602 N HA -0.171 4.569 4.740 -0.001 0.000 0.252 602 N C -1.256 174.264 175.510 0.018 0.000 1.014 602 N CA 1.351 54.406 53.050 0.008 0.000 0.735 602 N CB -1.273 37.218 38.487 0.007 0.000 0.924 602 N HN 0.369 nan 8.380 nan 0.000 0.540 603 T N -0.015 114.552 114.554 0.021 0.000 2.900 603 T HA 0.513 4.862 4.350 -0.001 0.000 0.295 603 T C 0.088 174.819 174.700 0.051 0.000 1.044 603 T CA -0.336 61.788 62.100 0.039 0.000 0.995 603 T CB 2.477 71.361 68.868 0.028 0.000 1.072 603 T HN -0.030 nan 8.240 nan 0.000 0.473 604 T N 1.508 116.119 114.554 0.095 0.000 2.841 604 T HA 0.465 4.814 4.350 -0.001 0.000 0.283 604 T C -0.363 174.436 174.700 0.165 0.000 1.000 604 T CA -0.405 61.756 62.100 0.102 0.000 0.977 604 T CB 0.729 69.649 68.868 0.088 0.000 0.979 604 T HN 0.671 nan 8.240 nan 0.000 0.446 605 C N 3.010 122.384 119.300 0.124 0.000 2.365 605 C HA 0.739 5.199 4.460 -0.001 0.000 0.351 605 C C 0.150 175.241 174.990 0.168 0.000 1.240 605 C CA -0.560 58.551 59.018 0.156 0.000 2.062 605 C CB 0.271 28.072 27.740 0.101 0.000 2.387 605 C HN 0.667 nan 8.230 nan 0.000 0.537 606 V N 3.747 123.815 119.914 0.257 0.000 2.487 606 V HA 0.321 4.441 4.120 -0.001 0.000 0.298 606 V C -0.260 175.930 176.094 0.160 0.000 1.028 606 V CA -0.503 61.884 62.300 0.145 0.000 0.860 606 V CB 1.619 33.514 31.823 0.119 0.000 0.991 606 V HN 0.852 nan 8.190 nan 0.000 0.427 607 E N 4.498 124.714 120.200 0.028 0.000 2.194 607 E HA 0.420 4.769 4.350 -0.001 0.000 0.284 607 E C -1.486 175.127 176.600 0.022 0.000 1.035 607 E CA -0.184 56.276 56.400 0.099 0.000 0.836 607 E CB 1.001 30.748 29.700 0.078 0.000 1.070 607 E HN 0.488 nan 8.360 nan 0.000 0.401 608 F N 4.032 124.092 119.950 0.182 0.000 2.375 608 F HA 0.303 4.830 4.527 -0.001 0.000 0.361 608 F C -2.159 173.766 175.800 0.208 0.000 1.117 608 F CA -2.839 55.301 58.000 0.233 0.000 1.037 608 F CB 1.252 40.354 39.000 0.170 0.000 1.192 608 F HN 0.220 nan 8.300 nan 0.000 0.452 609 P HA 0.277 nan 4.420 nan 0.000 0.271 609 P C -0.550 177.040 177.300 0.484 0.000 1.220 609 P CA 0.215 63.519 63.100 0.339 0.000 0.768 609 P CB 0.802 32.578 31.700 0.128 0.000 0.848 610 I N 2.455 123.306 120.570 0.468 0.000 2.569 610 I HA 0.353 4.523 4.170 -0.001 0.000 0.290 610 I C -0.016 176.081 176.117 -0.033 0.000 1.088 610 I CA -0.884 60.588 61.300 0.287 0.000 1.047 610 I CB 2.548 40.654 38.000 0.177 0.000 1.237 610 I HN 0.139 nan 8.210 nan 0.000 0.421 611 K N 5.143 125.384 120.400 -0.265 0.000 2.235 611 K HA 0.769 5.088 4.320 -0.001 0.000 0.266 611 K C -0.577 175.764 176.600 -0.432 0.000 0.980 611 K CA -0.372 55.555 56.287 -0.600 0.000 0.849 611 K CB 1.701 33.745 32.500 -0.761 0.000 1.098 611 K HN 0.735 nan 8.250 nan 0.000 0.445 612 A N 3.332 125.799 122.820 -0.588 0.000 2.340 612 A HA 0.304 4.623 4.320 -0.001 0.000 0.268 612 A C -0.214 177.123 177.584 -0.411 0.000 1.100 612 A CA -0.646 51.040 52.037 -0.584 0.000 0.803 612 A CB 0.682 19.211 19.000 -0.786 0.000 1.043 612 A HN 0.570 nan 8.150 nan 0.000 0.488 613 V N 1.569 121.372 119.914 -0.185 0.000 2.788 613 V HA 0.335 4.455 4.120 -0.001 0.000 0.307 613 V C 1.686 177.789 176.094 0.016 0.000 1.069 613 V CA 1.673 63.958 62.300 -0.026 0.000 1.173 613 V CB 0.253 32.141 31.823 0.107 0.000 0.925 613 V HN 1.973 nan 8.190 nan 0.000 0.492 614 G N 3.566 112.361 108.800 -0.007 0.000 2.168 614 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.257 614 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.257 614 G C 1.018 175.831 174.900 -0.145 0.000 0.997 614 G CA 0.608 45.731 45.100 0.039 0.000 0.708 614 G HN 1.498 nan 8.290 nan 0.000 0.520 615 A N -0.064 122.455 122.820 -0.501 0.000 1.948 615 A HA -0.045 4.274 4.320 -0.001 0.000 0.220 615 A C 1.813 179.058 177.584 -0.565 0.000 1.177 615 A CA 2.186 53.617 52.037 -1.011 0.000 0.636 615 A CB -0.188 18.106 19.000 -1.177 0.000 0.815 615 A HN 0.434 nan 8.150 nan 0.000 0.449 616 D N -0.467 119.800 120.400 -0.222 0.000 2.358 616 D HA 0.034 4.674 4.640 -0.001 0.000 0.224 616 D C -0.041 176.260 176.300 0.002 0.000 1.123 616 D CA -0.102 53.867 54.000 -0.052 0.000 0.833 616 D CB -0.175 40.635 40.800 0.017 0.000 0.946 616 D HN 0.335 nan 8.370 nan 0.000 0.505 617 N N 2.118 120.834 118.700 0.026 0.000 2.472 617 N HA 0.065 4.805 4.740 -0.001 0.000 0.277 617 N C -1.594 173.986 175.510 0.118 0.000 1.081 617 N CA -1.564 51.535 53.050 0.081 0.000 0.973 617 N CB 2.255 40.810 38.487 0.115 0.000 1.105 617 N HN -0.145 nan 8.380 nan 0.000 0.470 618 P HA -0.055 nan 4.420 nan 0.000 0.228 618 P C 0.184 177.534 177.300 0.084 0.000 1.151 618 P CA 0.869 64.015 63.100 0.078 0.000 0.770 618 P CB 0.502 32.230 31.700 0.048 0.000 0.786 619 N N -0.818 117.937 118.700 0.091 0.000 2.336 619 N HA 0.026 4.766 4.740 -0.001 0.000 0.189 619 N C 0.195 175.759 175.510 0.089 0.000 1.113 619 N CA -0.203 52.887 53.050 0.067 0.000 0.858 619 N CB -0.345 38.170 38.487 0.048 0.000 0.970 619 N HN 0.182 nan 8.380 nan 0.000 0.471 620 F N 2.193 122.152 119.950 0.016 0.000 2.538 620 F HA 0.301 4.828 4.527 -0.001 0.000 0.371 620 F C 0.140 175.947 175.800 0.010 0.000 1.087 620 F CA -0.857 57.162 58.000 0.032 0.000 1.250 620 F CB 0.521 39.522 39.000 0.002 0.000 1.110 620 F HN -0.092 nan 8.300 nan 0.000 0.570 621 A N 4.853 127.205 122.820 -0.780 0.000 2.343 621 A HA 0.599 4.918 4.320 -0.001 0.000 0.308 621 A C -0.721 176.428 177.584 -0.725 0.000 1.092 621 A CA -0.340 51.343 52.037 -0.592 0.000 0.751 621 A CB 0.776 19.450 19.000 -0.544 0.000 1.203 621 A HN 0.872 nan 8.150 nan 0.000 0.452 622 S N 1.667 117.136 115.700 -0.386 0.000 2.585 622 S HA 0.561 5.031 4.470 -0.001 0.000 0.277 622 S C 1.278 175.755 174.600 -0.206 0.000 1.241 622 S CA -0.056 58.035 58.200 -0.180 0.000 1.041 622 S CB 1.565 64.758 63.200 -0.011 0.000 0.987 622 S HN 1.776 nan 8.310 nan 0.000 0.512 623 A N 2.912 125.693 122.820 -0.064 0.000 1.958 623 A HA -0.024 4.296 4.320 -0.001 0.000 0.221 623 A C 2.123 179.616 177.584 -0.153 0.000 1.178 623 A CA 2.045 54.070 52.037 -0.020 0.000 0.642 623 A CB -1.725 17.370 19.000 0.159 0.000 0.816 623 A HN 1.217 nan 8.150 nan 0.000 0.453 624 G N -1.397 107.247 108.800 -0.260 0.000 2.484 624 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.218 624 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.218 624 G C 1.495 176.080 174.900 -0.525 0.000 1.130 624 G CA 1.807 46.479 45.100 -0.712 0.000 0.784 624 G HN 0.787 nan 8.290 nan 0.000 0.543 625 T N -2.132 112.219 114.554 -0.339 0.000 3.022 625 T HA 0.285 4.635 4.350 -0.001 0.000 0.250 625 T C 0.699 175.237 174.700 -0.270 0.000 1.060 625 T CA -0.235 61.704 62.100 -0.269 0.000 1.013 625 T CB 0.268 69.017 68.868 -0.197 0.000 0.982 625 T HN -0.105 nan 8.240 nan 0.000 0.508 626 V N 4.387 124.100 119.914 -0.335 0.000 2.470 626 V HA 0.349 4.468 4.120 -0.001 0.000 0.276 626 V C 0.992 176.970 176.094 -0.193 0.000 1.040 626 V CA -0.645 61.443 62.300 -0.352 0.000 1.008 626 V CB 0.292 31.748 31.823 -0.611 0.000 0.990 626 V HN 0.730 nan 8.190 nan 0.000 0.477 627 S N 5.246 120.869 115.700 -0.127 0.000 2.573 627 S HA 0.143 4.613 4.470 -0.001 0.000 0.277 627 S C 1.260 175.873 174.600 0.021 0.000 1.346 627 S CA -0.127 58.038 58.200 -0.058 0.000 1.034 627 S CB 0.533 63.691 63.200 -0.070 0.000 0.879 627 S HN 0.710 nan 8.310 nan 0.000 0.528 628 I N 1.887 122.498 120.570 0.068 0.000 2.286 628 I HA -0.145 4.024 4.170 -0.001 0.000 0.248 628 I C 2.435 178.701 176.117 0.248 0.000 1.115 628 I CA 1.713 63.119 61.300 0.176 0.000 1.392 628 I CB -0.849 37.259 38.000 0.179 0.000 1.065 628 I HN 0.902 nan 8.210 nan 0.000 0.418 629 A N 0.166 123.058 122.820 0.119 0.000 1.908 629 A HA -0.304 4.015 4.320 -0.001 0.000 0.218 629 A C 2.301 180.092 177.584 0.345 0.000 1.181 629 A CA 2.081 54.201 52.037 0.139 0.000 0.627 629 A CB -0.745 18.163 19.000 -0.154 0.000 0.818 629 A HN 0.637 nan 8.150 nan 0.000 0.445 630 E N -0.528 119.854 120.200 0.304 0.000 2.150 630 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 630 E C 2.158 178.930 176.600 0.288 0.000 0.985 630 E CA 1.032 57.659 56.400 0.379 0.000 0.814 630 E CB -0.114 29.727 29.700 0.235 0.000 0.752 630 E HN 0.772 nan 8.360 nan 0.000 0.466 631 Q N -0.536 119.399 119.800 0.226 0.000 2.079 631 Q HA -0.154 4.185 4.340 -0.001 0.000 0.200 631 Q C 1.950 178.011 176.000 0.101 0.000 0.974 631 Q CA 1.360 57.274 55.803 0.185 0.000 0.840 631 Q CB -0.137 28.668 28.738 0.112 0.000 0.898 631 Q HN 0.297 nan 8.270 nan 0.000 0.430 632 F N 0.743 120.686 119.950 -0.012 0.000 2.095 632 F HA -0.247 4.279 4.527 -0.000 0.000 0.298 632 F C 2.445 178.065 175.800 -0.301 0.000 1.104 632 F CA 1.302 59.146 58.000 -0.259 0.000 1.232 632 F CB -0.476 38.285 39.000 -0.397 0.000 0.987 632 F HN 0.073 nan 8.300 nan 0.000 0.475 633 A N -0.709 122.232 122.820 0.201 0.000 1.940 633 A HA -0.205 4.115 4.320 -0.001 0.000 0.219 633 A C 2.190 180.021 177.584 0.413 0.000 1.176 633 A CA 2.355 54.611 52.037 0.365 0.000 0.631 633 A CB -1.316 17.904 19.000 0.367 0.000 0.814 633 A HN 0.383 nan 8.150 nan 0.000 0.446 634 T N -0.521 114.212 114.554 0.298 0.000 2.777 634 T HA -0.181 4.169 4.350 -0.001 0.000 0.266 634 T C 2.086 176.906 174.700 0.200 0.000 1.040 634 T CA 1.554 63.806 62.100 0.254 0.000 1.141 634 T CB -0.256 68.747 68.868 0.226 0.000 0.868 634 T HN 0.702 nan 8.240 nan 0.000 0.444 635 Q N 0.856 120.719 119.800 0.106 0.000 2.084 635 Q HA -0.093 4.246 4.340 -0.001 0.000 0.202 635 Q C 2.458 178.505 176.000 0.078 0.000 0.978 635 Q CA 1.497 57.331 55.803 0.052 0.000 0.844 635 Q CB -0.325 28.375 28.738 -0.063 0.000 0.898 635 Q HN 0.521 nan 8.270 nan 0.000 0.426 636 A N 0.362 123.238 122.820 0.093 0.000 1.933 636 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 636 A C 1.839 179.514 177.584 0.152 0.000 1.175 636 A CA 1.249 53.380 52.037 0.156 0.000 0.628 636 A CB -0.971 18.218 19.000 0.314 0.000 0.814 636 A HN 0.636 nan 8.150 nan 0.000 0.444 637 F N 0.703 120.663 119.950 0.016 0.000 2.069 637 F HA -0.176 4.351 4.527 -0.001 0.000 0.298 637 F C 1.915 177.715 175.800 0.001 0.000 1.113 637 F CA 1.999 59.878 58.000 -0.202 0.000 1.214 637 F CB -0.323 38.378 39.000 -0.498 0.000 0.978 637 F HN 0.144 nan 8.300 nan 0.000 0.474 638 L N -0.128 121.190 121.223 0.158 0.000 2.131 638 L HA -0.206 4.134 4.340 -0.001 0.000 0.210 638 L C 2.408 179.304 176.870 0.044 0.000 1.092 638 L CA 1.449 56.377 54.840 0.147 0.000 0.759 638 L CB -0.781 41.419 42.059 0.236 0.000 0.903 638 L HN 0.251 nan 8.230 nan 0.000 0.435 639 Q N -0.329 119.462 119.800 -0.015 0.000 2.230 639 Q HA -0.118 4.222 4.340 -0.001 0.000 0.202 639 Q C 1.983 177.869 176.000 -0.189 0.000 0.963 639 Q CA 1.825 57.581 55.803 -0.077 0.000 0.866 639 Q CB -0.064 28.646 28.738 -0.045 0.000 0.931 639 Q HN 0.340 nan 8.270 nan 0.000 0.452 640 T N -0.889 113.492 114.554 -0.289 0.000 2.852 640 T HA -0.019 4.330 4.350 -0.001 0.000 0.256 640 T C 0.612 174.890 174.700 -0.702 0.000 1.038 640 T CA 1.300 63.077 62.100 -0.538 0.000 1.141 640 T CB -0.175 68.239 68.868 -0.756 0.000 0.869 640 T HN 0.366 nan 8.240 nan 0.000 0.439 641 Y N -1.345 118.717 120.300 -0.397 0.000 2.444 641 Y HA 0.327 4.876 4.550 -0.001 0.000 0.249 641 Y C 1.839 177.612 175.900 -0.213 0.000 1.134 641 Y CA -0.984 56.899 58.100 -0.360 0.000 1.261 641 Y CB 0.483 38.610 38.460 -0.555 0.000 1.143 641 Y HN 0.310 nan 8.280 nan 0.000 0.523 642 W N -0.560 120.577 121.300 -0.272 0.000 3.614 642 W HA 0.267 4.926 4.660 -0.001 0.000 0.229 642 W C 0.074 176.400 176.519 -0.321 0.000 0.916 642 W CA 0.346 57.546 57.345 -0.242 0.000 2.162 642 W CB -0.047 29.358 29.460 -0.093 0.000 1.061 642 W HN -0.212 nan 8.180 nan 0.000 0.704 643 S N 2.447 117.837 115.700 -0.516 0.000 2.489 643 S HA 0.047 4.517 4.470 -0.001 0.000 0.277 643 S C 0.426 174.777 174.600 -0.416 0.000 1.230 643 S CA 0.067 57.929 58.200 -0.562 0.000 1.053 643 S CB 0.919 64.004 63.200 -0.192 0.000 0.955 643 S HN 0.315 nan 8.310 nan 0.000 0.488 644 D N 3.846 124.019 120.400 -0.377 0.000 2.349 644 D HA 0.099 4.739 4.640 -0.001 0.000 0.214 644 D C 0.613 176.846 176.300 -0.111 0.000 1.063 644 D CA 0.187 54.062 54.000 -0.208 0.000 0.847 644 D CB -0.054 40.695 40.800 -0.085 0.000 0.933 644 D HN 0.330 nan 8.370 nan 0.000 0.513 645 N N 0.328 118.954 118.700 -0.123 0.000 2.835 645 N HA 0.567 5.306 4.740 -0.001 0.000 0.293 645 N C -0.012 175.452 175.510 -0.077 0.000 1.345 645 N CA -0.265 52.735 53.050 -0.084 0.000 0.760 645 N CB 0.433 38.878 38.487 -0.071 0.000 1.130 645 N HN 0.145 nan 8.380 nan 0.000 0.441 646 A N 0.108 122.895 122.820 -0.055 0.000 2.373 646 A HA 0.688 5.007 4.320 -0.001 0.000 0.291 646 A C -0.985 176.592 177.584 -0.012 0.000 1.171 646 A CA -0.389 51.625 52.037 -0.039 0.000 0.922 646 A CB 0.828 19.807 19.000 -0.034 0.000 1.400 646 A HN 0.207 nan 8.150 nan 0.000 0.474 647 V N 1.006 120.921 119.914 0.001 0.000 2.380 647 V HA 0.412 4.531 4.120 -0.001 0.000 0.286 647 V C 0.159 176.263 176.094 0.017 0.000 1.015 647 V CA -0.434 61.882 62.300 0.028 0.000 0.834 647 V CB 1.022 32.868 31.823 0.039 0.000 1.009 647 V HN 0.830 nan 8.190 nan 0.000 0.428 648 S N 4.631 120.342 115.700 0.019 0.000 2.499 648 S HA 0.642 5.112 4.470 -0.001 0.000 0.275 648 S C -0.272 174.347 174.600 0.032 0.000 1.257 648 S CA -0.170 58.040 58.200 0.017 0.000 1.050 648 S CB 0.168 63.372 63.200 0.008 0.000 0.937 648 S HN 1.320 nan 8.310 nan 0.000 0.490 649 C N 2.716 122.069 119.300 0.089 0.000 3.279 649 C HA 0.560 5.019 4.460 -0.001 0.000 0.386 649 C C -0.553 174.541 174.990 0.174 0.000 1.081 649 C CA -0.901 58.279 59.018 0.270 0.000 1.192 649 C CB 0.496 28.362 27.740 0.211 0.000 1.552 649 C HN 0.633 nan 8.230 nan 0.000 0.559 650 T N 3.778 118.447 114.554 0.191 0.000 2.738 650 T HA 0.465 4.815 4.350 -0.001 0.000 0.298 650 T C 0.167 174.826 174.700 -0.070 0.000 0.962 650 T CA 0.084 62.192 62.100 0.014 0.000 0.972 650 T CB 0.198 69.069 68.868 0.004 0.000 0.928 650 T HN 0.610 nan 8.240 nan 0.000 0.474 651 I N 4.654 125.197 120.570 -0.045 0.000 2.337 651 I HA 0.201 4.370 4.170 -0.001 0.000 0.291 651 I C 1.084 177.275 176.117 0.124 0.000 1.046 651 I CA -0.445 60.839 61.300 -0.027 0.000 1.324 651 I CB 0.644 38.530 38.000 -0.189 0.000 1.409 651 I HN 0.604 nan 8.210 nan 0.000 0.494 652 T N 4.160 118.790 114.554 0.127 0.000 2.867 652 T HA 0.729 5.078 4.350 -0.001 0.000 0.282 652 T C -0.549 174.300 174.700 0.248 0.000 1.000 652 T CA -0.631 61.559 62.100 0.149 0.000 1.042 652 T CB 1.330 70.299 68.868 0.168 0.000 0.973 652 T HN 0.379 nan 8.240 nan 0.000 0.465 653 F N -0.536 119.487 119.950 0.122 0.000 2.626 653 F HA 0.706 5.233 4.527 -0.001 0.000 0.311 653 F C -0.457 175.400 175.800 0.096 0.000 1.088 653 F CA -1.457 56.588 58.000 0.074 0.000 0.949 653 F CB 1.324 40.365 39.000 0.070 0.000 1.322 653 F HN 0.342 nan 8.300 nan 0.000 0.461 654 Q N 1.208 121.095 119.800 0.145 0.000 2.312 654 Q HA 0.163 4.502 4.340 -0.001 0.000 0.236 654 Q C 0.289 176.397 176.000 0.180 0.000 0.965 654 Q CA -0.021 55.824 55.803 0.070 0.000 0.894 654 Q CB 1.274 30.016 28.738 0.008 0.000 1.225 654 Q HN 0.868 nan 8.270 nan 0.000 0.478 655 D N -0.239 120.227 120.400 0.111 0.000 2.218 655 D HA -0.177 4.462 4.640 -0.001 0.000 0.204 655 D C 1.324 177.707 176.300 0.139 0.000 0.976 655 D CA 1.489 55.579 54.000 0.149 0.000 0.853 655 D CB -0.215 40.635 40.800 0.083 0.000 0.939 655 D HN 0.471 nan 8.370 nan 0.000 0.481 656 S N -0.639 115.117 115.700 0.092 0.000 2.603 656 S HA -0.050 4.420 4.470 -0.001 0.000 0.229 656 S C 1.381 176.016 174.600 0.058 0.000 0.972 656 S CA 0.272 58.505 58.200 0.056 0.000 0.935 656 S CB -0.274 62.941 63.200 0.024 0.000 0.769 656 S HN 0.349 nan 8.310 nan 0.000 0.536 657 E N 0.320 120.592 120.200 0.121 0.000 2.511 657 E HA 0.195 4.545 4.350 -0.001 0.000 0.209 657 E C 1.916 178.537 176.600 0.034 0.000 0.986 657 E CA 0.201 56.653 56.400 0.087 0.000 0.974 657 E CB -0.058 29.727 29.700 0.142 0.000 1.030 657 E HN 0.618 nan 8.360 nan 0.000 0.490 658 G N 1.846 110.720 108.800 0.123 0.000 2.485 658 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.221 658 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.221 658 G C 1.127 175.981 174.900 -0.076 0.000 1.115 658 G CA 0.834 45.938 45.100 0.007 0.000 0.751 658 G HN 0.185 nan 8.290 nan 0.000 0.567 659 D N 0.004 120.380 120.400 -0.040 0.000 2.371 659 D HA -0.037 4.603 4.640 -0.001 0.000 0.221 659 D C 2.138 178.383 176.300 -0.091 0.000 0.986 659 D CA 0.639 54.608 54.000 -0.052 0.000 0.899 659 D CB 0.157 40.937 40.800 -0.034 0.000 0.902 659 D HN 0.473 nan 8.370 nan 0.000 0.530 660 Q N -0.210 119.513 119.800 -0.129 0.000 2.317 660 Q HA 0.055 4.395 4.340 -0.001 0.000 0.220 660 Q C 2.234 178.102 176.000 -0.219 0.000 0.873 660 Q CA -0.085 55.622 55.803 -0.161 0.000 0.936 660 Q CB 0.927 29.578 28.738 -0.145 0.000 1.105 660 Q HN 0.051 nan 8.270 nan 0.000 0.520 661 V N 1.595 121.355 119.914 -0.258 0.000 2.255 661 V HA -0.308 3.812 4.120 -0.001 0.000 0.247 661 V C 2.210 178.185 176.094 -0.198 0.000 1.051 661 V CA 2.238 64.378 62.300 -0.266 0.000 1.018 661 V CB -0.444 31.174 31.823 -0.342 0.000 0.641 661 V HN 0.420 nan 8.190 nan 0.000 0.445 662 E N 0.103 120.218 120.200 -0.142 0.000 2.077 662 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 662 E C 2.362 178.849 176.600 -0.188 0.000 0.989 662 E CA 1.601 57.938 56.400 -0.106 0.000 0.800 662 E CB -0.041 29.639 29.700 -0.033 0.000 0.746 662 E HN 0.654 nan 8.360 nan 0.000 0.452 663 S N 0.895 116.482 115.700 -0.189 0.000 2.356 663 S HA -0.145 4.324 4.470 -0.001 0.000 0.223 663 S C 2.050 176.474 174.600 -0.293 0.000 1.032 663 S CA 0.952 59.030 58.200 -0.204 0.000 1.005 663 S CB -0.240 62.856 63.200 -0.173 0.000 0.867 663 S HN 0.246 nan 8.310 nan 0.000 0.449 664 L N 0.880 121.858 121.223 -0.409 0.000 2.109 664 L HA -0.015 4.325 4.340 -0.001 0.000 0.207 664 L C 2.245 178.734 176.870 -0.634 0.000 1.086 664 L CA 0.768 55.218 54.840 -0.650 0.000 0.760 664 L CB -0.516 40.807 42.059 -1.226 0.000 0.910 664 L HN 0.261 nan 8.230 nan 0.000 0.437 665 L N -0.676 120.225 121.223 -0.537 0.000 2.046 665 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 665 L C 2.868 179.341 176.870 -0.663 0.000 1.077 665 L CA 1.320 55.853 54.840 -0.511 0.000 0.747 665 L CB -0.461 41.181 42.059 -0.695 0.000 0.896 665 L HN 0.213 nan 8.230 nan 0.000 0.432 666 R N -0.532 119.611 120.500 -0.594 0.000 2.066 666 R HA -0.194 4.145 4.340 -0.001 0.000 0.232 666 R C 2.255 178.398 176.300 -0.263 0.000 1.131 666 R CA 1.346 57.225 56.100 -0.368 0.000 0.955 666 R CB -0.407 29.781 30.300 -0.187 0.000 0.851 666 R HN 0.434 nan 8.270 nan 0.000 0.432 667 Q N 0.146 119.791 119.800 -0.259 0.000 2.112 667 Q HA -0.189 4.150 4.340 -0.001 0.000 0.206 667 Q C 0.567 176.361 176.000 -0.343 0.000 0.987 667 Q CA 1.669 57.297 55.803 -0.291 0.000 0.858 667 Q CB 0.058 28.572 28.738 -0.373 0.000 0.905 667 Q HN 0.418 nan 8.270 nan 0.000 0.420 668 Y N 0.021 120.242 120.300 -0.130 0.000 2.583 668 Y HA 0.138 4.688 4.550 -0.001 0.000 0.294 668 Y C 1.522 177.382 175.900 -0.065 0.000 1.170 668 Y CA -0.114 57.976 58.100 -0.016 0.000 1.265 668 Y CB 0.167 38.688 38.460 0.103 0.000 1.119 668 Y HN 0.175 nan 8.280 nan 0.000 0.522 669 R N -0.789 119.627 120.500 -0.139 0.000 2.293 669 R HA -0.128 4.212 4.340 -0.001 0.000 0.219 669 R C 0.356 176.455 176.300 -0.334 0.000 1.091 669 R CA 1.552 57.503 56.100 -0.249 0.000 1.004 669 R CB -0.803 29.269 30.300 -0.380 0.000 0.865 669 R HN 0.320 nan 8.270 nan 0.000 0.469 670 F N -0.146 119.828 119.950 0.040 0.000 2.695 670 F HA 0.371 4.897 4.527 -0.001 0.000 0.303 670 F C 1.591 177.345 175.800 -0.077 0.000 1.091 670 F CA -0.218 57.776 58.000 -0.011 0.000 1.300 670 F CB 0.467 39.459 39.000 -0.012 0.000 1.071 670 F HN -0.089 nan 8.300 nan 0.000 0.578 671 I N -1.799 118.845 120.570 0.123 0.000 3.873 671 I HA 0.048 4.218 4.170 -0.001 0.000 0.284 671 I C 0.407 176.544 176.117 0.033 0.000 1.186 671 I CA 0.368 61.707 61.300 0.066 0.000 1.362 671 I CB 0.214 38.344 38.000 0.218 0.000 1.432 671 I HN -0.292 nan 8.210 nan 0.000 0.454 672 T N 2.886 117.500 114.554 0.101 0.000 2.779 672 T HA 0.120 4.470 4.350 -0.001 0.000 0.296 672 T C 0.930 175.644 174.700 0.022 0.000 0.938 672 T CA 0.016 62.153 62.100 0.061 0.000 1.119 672 T CB 1.282 70.212 68.868 0.104 0.000 0.891 672 T HN 0.142 nan 8.240 nan 0.000 0.526 673 K N 1.686 122.081 120.400 -0.009 0.000 2.186 673 K HA 0.064 4.383 4.320 -0.001 0.000 0.202 673 K C 0.873 177.468 176.600 -0.008 0.000 1.052 673 K CA 0.395 56.671 56.287 -0.019 0.000 0.965 673 K CB 0.263 32.740 32.500 -0.038 0.000 0.746 673 K HN 0.698 nan 8.250 nan 0.000 0.457 674 S N -0.044 115.655 115.700 -0.001 0.000 2.537 674 S HA 0.334 4.804 4.470 -0.001 0.000 0.271 674 S C -0.679 173.924 174.600 0.004 0.000 1.148 674 S CA -1.010 57.192 58.200 0.004 0.000 0.868 674 S CB 1.954 65.148 63.200 -0.010 0.000 1.115 674 S HN 0.110 nan 8.310 nan 0.000 0.461 675 T N -1.365 113.201 114.554 0.019 0.000 2.893 675 T HA 0.809 5.159 4.350 -0.001 0.000 0.293 675 T C -0.773 173.934 174.700 0.011 0.000 1.027 675 T CA -0.666 61.431 62.100 -0.005 0.000 0.988 675 T CB 1.737 70.626 68.868 0.035 0.000 1.043 675 T HN 1.030 nan 8.240 nan 0.000 0.461 676 S N 1.968 117.659 115.700 -0.015 0.000 2.776 676 S HA 0.644 5.113 4.470 -0.001 0.000 0.284 676 S C -1.459 173.157 174.600 0.025 0.000 1.160 676 S CA -0.680 57.534 58.200 0.023 0.000 1.051 676 S CB 0.102 63.320 63.200 0.030 0.000 1.037 676 S HN 0.644 nan 8.310 nan 0.000 0.485 677 L N 3.964 125.241 121.223 0.089 0.000 2.333 677 L HA 0.838 5.177 4.340 -0.001 0.000 0.269 677 L C -0.907 176.097 176.870 0.224 0.000 1.010 677 L CA -0.631 54.322 54.840 0.187 0.000 0.818 677 L CB 1.839 44.057 42.059 0.265 0.000 1.306 677 L HN 0.659 nan 8.230 nan 0.000 0.430 678 L N 3.203 124.560 121.223 0.223 0.000 2.543 678 L HA 0.614 4.953 4.340 -0.001 0.000 0.265 678 L C -2.611 174.052 176.870 -0.345 0.000 0.945 678 L CA -1.403 53.446 54.840 0.015 0.000 0.869 678 L CB 2.342 44.385 42.059 -0.027 0.000 1.294 678 L HN 0.289 nan 8.230 nan 0.000 0.405 679 P HA -0.011 nan 4.420 nan 0.000 0.262 679 P C -1.277 175.744 177.300 -0.465 0.000 1.199 679 P CA 0.288 62.840 63.100 -0.912 0.000 0.763 679 P CB -0.074 31.365 31.700 -0.435 0.000 0.790 680 Y N 4.682 124.667 120.300 -0.524 0.000 2.781 680 Y HA 0.155 4.705 4.550 -0.001 0.000 0.365 680 Y C 0.930 176.730 175.900 -0.167 0.000 1.291 680 Y CA 0.277 58.230 58.100 -0.245 0.000 1.772 680 Y CB -1.007 37.349 38.460 -0.173 0.000 1.361 680 Y HN 0.268 nan 8.280 nan 0.000 0.484 681 F N 2.101 121.845 119.950 -0.344 0.000 2.098 681 F HA 0.549 5.076 4.527 -0.001 0.000 0.215 681 F C 1.603 177.242 175.800 -0.268 0.000 0.812 681 F CA -0.071 57.790 58.000 -0.231 0.000 1.147 681 F CB -0.861 38.024 39.000 -0.190 0.000 2.069 681 F HN 0.731 nan 8.300 nan 0.000 0.613 682 G N -2.302 106.396 108.800 -0.169 0.000 2.981 682 G HA2 0.290 4.250 3.960 -0.001 0.000 0.198 682 G HA3 0.290 4.250 3.960 -0.001 0.000 0.198 682 G C 2.143 177.026 174.900 -0.028 0.000 1.806 682 G CA 1.780 46.821 45.100 -0.098 0.000 1.374 682 G HN 2.788 nan 8.290 nan 0.000 0.555 683 G N -0.257 108.545 108.800 0.003 0.000 5.359 683 G HA2 0.036 3.996 3.960 -0.001 0.000 0.333 683 G HA3 0.036 3.996 3.960 -0.001 0.000 0.333 683 G C 1.032 175.954 174.900 0.036 0.000 1.365 683 G CA 2.431 47.541 45.100 0.017 0.000 1.008 683 G HN 2.624 nan 8.290 nan 0.000 0.816 684 S N -1.153 114.567 115.700 0.032 0.000 2.462 684 S HA 0.354 4.823 4.470 -0.001 0.000 0.334 684 S C -0.917 173.713 174.600 0.049 0.000 0.733 684 S CA -0.073 58.158 58.200 0.051 0.000 0.766 684 S CB -0.647 62.583 63.200 0.050 0.000 1.105 684 S HN 1.009 nan 8.310 nan 0.000 0.505 685 L N 5.114 126.372 121.223 0.058 0.000 2.289 685 L HA 0.470 4.810 4.340 -0.001 0.000 0.285 685 L C 1.669 178.613 176.870 0.123 0.000 1.049 685 L CA -0.452 54.439 54.840 0.084 0.000 0.804 685 L CB 1.558 43.643 42.059 0.044 0.000 1.195 685 L HN 0.848 nan 8.230 nan 0.000 0.428 686 Q N 2.080 121.974 119.800 0.158 0.000 2.124 686 Q HA -0.167 4.172 4.340 -0.001 0.000 0.202 686 Q C 0.820 176.880 176.000 0.100 0.000 0.977 686 Q CA 1.538 57.406 55.803 0.107 0.000 0.850 686 Q CB 0.277 29.060 28.738 0.074 0.000 0.901 686 Q HN 0.607 nan 8.270 nan 0.000 0.429 687 Q N 0.172 120.074 119.800 0.170 0.000 2.851 687 Q HA 0.439 4.778 4.340 -0.001 0.000 0.331 687 Q C -1.490 174.634 176.000 0.208 0.000 0.979 687 Q CA -0.513 55.371 55.803 0.135 0.000 0.955 687 Q CB 0.966 29.713 28.738 0.016 0.000 1.298 687 Q HN 0.395 nan 8.270 nan 0.000 0.432 688 A N 2.699 125.596 122.820 0.128 0.000 2.546 688 A HA 0.164 4.484 4.320 -0.001 0.000 0.243 688 A C -1.472 176.133 177.584 0.035 0.000 1.063 688 A CA -0.822 51.255 52.037 0.068 0.000 0.757 688 A CB 0.123 19.153 19.000 0.051 0.000 0.991 688 A HN 0.585 nan 8.150 nan 0.000 0.503 689 P HA -0.059 nan 4.420 nan 0.000 0.223 689 P C -0.061 177.194 177.300 -0.075 0.000 1.151 689 P CA 1.290 64.364 63.100 -0.044 0.000 0.787 689 P CB 0.193 31.835 31.700 -0.098 0.000 0.788 690 K N 0.429 120.733 120.400 -0.160 0.000 2.656 690 K HA 0.290 4.610 4.320 -0.001 0.000 0.241 690 K C -0.669 175.899 176.600 -0.054 0.000 0.967 690 K CA -0.314 55.857 56.287 -0.193 0.000 0.946 690 K CB 2.029 34.181 32.500 -0.581 0.000 1.164 690 K HN -0.073 nan 8.250 nan 0.000 0.459 691 E N 4.967 125.222 120.200 0.092 0.000 2.113 691 E HA 0.272 4.622 4.350 -0.001 0.000 0.273 691 E C -2.400 174.330 176.600 0.216 0.000 0.924 691 E CA -2.320 54.176 56.400 0.161 0.000 0.764 691 E CB 1.213 30.988 29.700 0.124 0.000 1.104 691 E HN 0.180 nan 8.360 nan 0.000 0.406 692 P HA 0.165 nan 4.420 nan 0.000 0.275 692 P C -0.421 176.987 177.300 0.180 0.000 1.227 692 P CA 0.011 63.253 63.100 0.236 0.000 0.781 692 P CB 0.764 32.597 31.700 0.221 0.000 0.906 693 I N -1.015 119.670 120.570 0.191 0.000 3.074 693 I HA 0.533 4.702 4.170 -0.001 0.000 0.310 693 I C -0.533 175.668 176.117 0.140 0.000 1.153 693 I CA -1.574 59.815 61.300 0.149 0.000 0.993 693 I CB 2.203 40.293 38.000 0.149 0.000 1.237 693 I HN 0.150 nan 8.210 nan 0.000 0.443 694 D N 1.659 122.088 120.400 0.049 0.000 2.383 694 D HA 0.168 4.807 4.640 -0.001 0.000 0.248 694 D C 0.755 176.880 176.300 -0.290 0.000 1.170 694 D CA -0.638 53.337 54.000 -0.042 0.000 0.977 694 D CB 1.215 41.992 40.800 -0.038 0.000 1.120 694 D HN 0.750 nan 8.370 nan 0.000 0.481 695 K N -0.494 119.551 120.400 -0.591 0.000 2.063 695 K HA -0.221 4.099 4.320 -0.001 0.000 0.208 695 K C 1.667 178.046 176.600 -0.368 0.000 1.048 695 K CA 1.204 56.893 56.287 -0.996 0.000 0.928 695 K CB 0.012 32.068 32.500 -0.739 0.000 0.713 695 K HN 0.437 nan 8.250 nan 0.000 0.442 696 E N -0.100 119.978 120.200 -0.204 0.000 2.085 696 E HA -0.169 4.180 4.350 -0.001 0.000 0.194 696 E C 1.962 178.513 176.600 -0.081 0.000 0.994 696 E CA 1.785 58.120 56.400 -0.108 0.000 0.801 696 E CB -0.144 29.512 29.700 -0.074 0.000 0.743 696 E HN 0.415 nan 8.360 nan 0.000 0.453 697 T N 0.393 114.909 114.554 -0.064 0.000 2.777 697 T HA -0.170 4.179 4.350 -0.001 0.000 0.266 697 T C 1.656 176.344 174.700 -0.019 0.000 1.040 697 T CA 1.275 63.358 62.100 -0.029 0.000 1.141 697 T CB -0.480 68.393 68.868 0.008 0.000 0.868 697 T HN 0.316 nan 8.240 nan 0.000 0.444 698 Y N 2.283 122.514 120.300 -0.115 0.000 2.128 698 Y HA -0.191 4.359 4.550 -0.001 0.000 0.284 698 Y C 2.307 178.178 175.900 -0.049 0.000 1.154 698 Y CA 1.638 59.704 58.100 -0.056 0.000 1.149 698 Y CB -0.243 38.182 38.460 -0.058 0.000 0.976 698 Y HN 0.278 nan 8.280 nan 0.000 0.505 699 E N 0.395 120.467 120.200 -0.213 0.000 2.077 699 E HA -0.215 4.134 4.350 -0.001 0.000 0.193 699 E C 2.105 178.559 176.600 -0.242 0.000 0.989 699 E CA 1.510 57.756 56.400 -0.257 0.000 0.800 699 E CB -0.190 29.465 29.700 -0.075 0.000 0.746 699 E HN 0.543 nan 8.360 nan 0.000 0.452 700 K N 0.581 120.882 120.400 -0.165 0.000 2.002 700 K HA -0.097 4.222 4.320 -0.001 0.000 0.209 700 K C 2.272 178.777 176.600 -0.159 0.000 1.048 700 K CA 0.893 57.101 56.287 -0.131 0.000 0.930 700 K CB -0.067 32.380 32.500 -0.088 0.000 0.714 700 K HN -0.033 nan 8.250 nan 0.000 0.438 701 R N 0.851 121.248 120.500 -0.172 0.000 2.073 701 R HA -0.088 4.251 4.340 -0.001 0.000 0.234 701 R C 2.497 178.658 176.300 -0.232 0.000 1.134 701 R CA 1.874 57.875 56.100 -0.166 0.000 0.952 701 R CB -0.998 29.238 30.300 -0.107 0.000 0.850 701 R HN 0.341 nan 8.270 nan 0.000 0.433 702 S N 0.850 116.331 115.700 -0.364 0.000 2.442 702 S HA -0.142 4.328 4.470 -0.001 0.000 0.236 702 S C 1.815 176.263 174.600 -0.252 0.000 1.007 702 S CA 0.808 58.797 58.200 -0.353 0.000 0.965 702 S CB -0.196 62.667 63.200 -0.561 0.000 0.773 702 S HN 0.371 nan 8.310 nan 0.000 0.504 703 Q N 0.788 120.455 119.800 -0.221 0.000 2.369 703 Q HA 0.028 4.367 4.340 -0.001 0.000 0.206 703 Q C 1.857 177.763 176.000 -0.157 0.000 0.963 703 Q CA 0.962 56.668 55.803 -0.161 0.000 0.894 703 Q CB -0.142 28.517 28.738 -0.130 0.000 0.965 703 Q HN 0.716 nan 8.270 nan 0.000 0.475 704 E N 0.358 120.452 120.200 -0.177 0.000 2.274 704 E HA -0.043 4.307 4.350 -0.001 0.000 0.194 704 E C -0.043 176.418 176.600 -0.232 0.000 0.996 704 E CA 0.360 56.655 56.400 -0.174 0.000 0.840 704 E CB 0.266 29.868 29.700 -0.163 0.000 0.772 704 E HN 0.308 nan 8.360 nan 0.000 0.491 705 I N 1.741 122.136 120.570 -0.292 0.000 2.282 705 I HA 0.043 4.212 4.170 -0.001 0.000 0.290 705 I C 0.587 176.549 176.117 -0.258 0.000 1.090 705 I CA -0.066 60.993 61.300 -0.402 0.000 1.231 705 I CB 0.985 38.618 38.000 -0.613 0.000 1.434 705 I HN -0.041 nan 8.210 nan 0.000 0.487 706 T N 0.169 114.603 114.554 -0.200 0.000 3.084 706 T HA 0.282 4.632 4.350 -0.001 0.000 0.270 706 T C 0.606 175.244 174.700 -0.103 0.000 1.008 706 T CA -0.439 61.584 62.100 -0.128 0.000 0.900 706 T CB 0.410 69.218 68.868 -0.099 0.000 1.084 706 T HN 0.505 nan 8.240 nan 0.000 0.538 707 G N 0.978 109.704 108.800 -0.123 0.000 2.400 707 G HA2 0.467 4.427 3.960 -0.001 0.000 0.333 707 G HA3 0.467 4.427 3.960 -0.001 0.000 0.333 707 G C -0.924 173.949 174.900 -0.046 0.000 1.143 707 G CA -0.756 44.301 45.100 -0.072 0.000 0.914 707 G HN 0.210 nan 8.290 nan 0.000 0.480 708 N N 2.527 121.205 118.700 -0.038 0.000 2.521 708 N HA 0.010 4.750 4.740 -0.001 0.000 0.236 708 N C 1.426 176.885 175.510 -0.086 0.000 1.067 708 N CA -0.411 52.606 53.050 -0.054 0.000 0.939 708 N CB 1.601 40.049 38.487 -0.066 0.000 1.201 708 N HN 0.189 nan 8.380 nan 0.000 0.511 709 V N 4.023 123.907 119.914 -0.050 0.000 2.317 709 V HA -0.245 3.875 4.120 -0.001 0.000 0.251 709 V C 2.194 178.047 176.094 -0.402 0.000 1.065 709 V CA 2.485 64.735 62.300 -0.083 0.000 1.049 709 V CB -0.338 31.519 31.823 0.057 0.000 0.651 709 V HN 0.789 nan 8.190 nan 0.000 0.450 710 E N -0.564 119.127 120.200 -0.849 0.000 2.058 710 E HA -0.292 4.058 4.350 -0.001 0.000 0.194 710 E C 2.130 178.471 176.600 -0.432 0.000 0.997 710 E CA 2.022 57.625 56.400 -1.329 0.000 0.801 710 E CB -0.221 28.664 29.700 -1.357 0.000 0.746 710 E HN 0.806 nan 8.360 nan 0.000 0.450 711 E N -0.258 119.799 120.200 -0.239 0.000 2.072 711 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 711 E C 2.213 178.799 176.600 -0.023 0.000 0.985 711 E CA 1.166 57.519 56.400 -0.077 0.000 0.801 711 E CB 0.158 29.825 29.700 -0.055 0.000 0.750 711 E HN 0.147 nan 8.360 nan 0.000 0.452 712 V N 1.053 120.954 119.914 -0.022 0.000 2.407 712 V HA -0.236 3.884 4.120 -0.001 0.000 0.248 712 V C 1.977 178.113 176.094 0.070 0.000 1.055 712 V CA 1.579 63.891 62.300 0.021 0.000 1.049 712 V CB -0.468 31.374 31.823 0.031 0.000 0.662 712 V HN 0.239 nan 8.190 nan 0.000 0.455 713 F N 0.984 120.921 119.950 -0.023 0.000 2.134 713 F HA -0.195 4.331 4.527 -0.001 0.000 0.299 713 F C 2.740 178.595 175.800 0.093 0.000 1.097 713 F CA 1.874 59.919 58.000 0.076 0.000 1.264 713 F CB -0.478 38.652 39.000 0.216 0.000 1.001 713 F HN 0.115 nan 8.300 nan 0.000 0.479 714 S N -0.300 115.453 115.700 0.088 0.000 2.368 714 S HA -0.236 4.233 4.470 -0.001 0.000 0.225 714 S C 2.197 176.761 174.600 -0.061 0.000 1.030 714 S CA 1.386 59.596 58.200 0.017 0.000 0.999 714 S CB -0.687 62.583 63.200 0.117 0.000 0.844 714 S HN 0.650 nan 8.310 nan 0.000 0.459 715 Q N 0.705 120.483 119.800 -0.036 0.000 2.050 715 Q HA -0.105 4.235 4.340 -0.001 0.000 0.202 715 Q C 2.242 178.201 176.000 -0.069 0.000 0.980 715 Q CA 1.666 57.446 55.803 -0.037 0.000 0.840 715 Q CB -0.596 28.131 28.738 -0.019 0.000 0.898 715 Q HN 0.627 nan 8.270 nan 0.000 0.424 716 L N 0.889 122.053 121.223 -0.099 0.000 2.017 716 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 716 L C 2.578 179.351 176.870 -0.160 0.000 1.073 716 L CA 1.553 56.327 54.840 -0.111 0.000 0.745 716 L CB -0.652 41.344 42.059 -0.103 0.000 0.894 716 L HN 0.400 nan 8.230 nan 0.000 0.432 717 N N -0.820 117.700 118.700 -0.299 0.000 2.137 717 N HA -0.211 4.528 4.740 -0.001 0.000 0.190 717 N C 1.834 177.269 175.510 -0.124 0.000 1.017 717 N CA 1.546 54.423 53.050 -0.288 0.000 0.859 717 N CB 0.138 38.362 38.487 -0.438 0.000 1.002 717 N HN 0.262 nan 8.380 nan 0.000 0.428 718 S N 0.513 116.157 115.700 -0.093 0.000 2.355 718 S HA -0.086 4.383 4.470 -0.001 0.000 0.222 718 S C 1.129 175.710 174.600 -0.031 0.000 1.031 718 S CA 1.014 59.188 58.200 -0.043 0.000 0.993 718 S CB -0.201 62.983 63.200 -0.027 0.000 0.859 718 S HN 0.389 nan 8.310 nan 0.000 0.453 719 D N 0.873 121.251 120.400 -0.037 0.000 2.224 719 D HA 0.044 4.683 4.640 -0.001 0.000 0.205 719 D C 0.255 176.543 176.300 -0.020 0.000 0.965 719 D CA 0.548 54.533 54.000 -0.024 0.000 0.852 719 D CB -0.023 40.763 40.800 -0.023 0.000 0.947 719 D HN 0.190 nan 8.370 nan 0.000 0.494 720 V N 0.875 120.770 119.914 -0.031 0.000 2.384 720 V HA 0.469 4.589 4.120 -0.001 0.000 0.287 720 V C 0.525 176.614 176.094 -0.010 0.000 1.020 720 V CA -0.975 61.314 62.300 -0.019 0.000 0.850 720 V CB 1.155 32.963 31.823 -0.025 0.000 0.987 720 V HN 0.042 nan 8.190 nan 0.000 0.436 721 K N 1.821 122.225 120.400 0.007 0.000 2.276 721 K HA 0.464 4.784 4.320 -0.001 0.000 0.283 721 K C 0.381 177.004 176.600 0.038 0.000 1.044 721 K CA -0.174 56.128 56.287 0.024 0.000 0.944 721 K CB -0.095 32.420 32.500 0.026 0.000 1.012 721 K HN 0.869 nan 8.250 nan 0.000 0.472 722 D N 0.207 120.646 120.400 0.065 0.000 2.907 722 D HA -0.162 4.477 4.640 -0.001 0.000 0.226 722 D C 0.810 177.155 176.300 0.076 0.000 1.141 722 D CA 0.951 55.003 54.000 0.086 0.000 0.779 722 D CB -1.448 39.391 40.800 0.065 0.000 1.095 722 D HN 0.538 nan 8.370 nan 0.000 0.430 723 L N 0.165 121.427 121.223 0.066 0.000 2.093 723 L HA 0.004 4.344 4.340 -0.001 0.000 0.208 723 L C 1.144 178.086 176.870 0.119 0.000 1.085 723 L CA 1.800 56.673 54.840 0.056 0.000 0.755 723 L CB 0.053 42.101 42.059 -0.019 0.000 0.904 723 L HN 0.146 nan 8.230 nan 0.000 0.435 724 E N 0.000 120.310 120.200 0.184 0.000 2.725 724 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 724 E CA 0.000 56.548 56.400 0.246 0.000 0.976 724 E CB 0.000 29.986 29.700 0.477 0.000 0.812 724 E HN 0.000 nan 8.360 nan 0.000 0.440