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 2av6_1_A DATA FIRST_RESID 1 DATA SEQUENCE SQPIFNDKQF QEALSRQWQR YGLNSAAEMT PRQWWLAVSE ALAEMLRAQP DATA SEQUENCE FAKPVANQRH VNYISMEFLI GRLTGNNLLN LGWYQDVQDS LKAYDINLTD DATA SEQUENCE LLEEEIDPAL GNGGLGRLAA CFLDSMATVG QSATGYGLNY QYGLFRQSFV DATA SEQUENCE DGKQVEAPDD WHRSNYPWFR HNEALDVQVG IGGKVTKDGR WEPEFTITGQ DATA SEQUENCE AWDLPVVGYR NGVAQPLRLW QATHAHPFDL TKFNDGDFLR AEQQGINAEK DATA SEQUENCE LTKVLYPNDN AFEGKKLRLM QQYFQCACSV ADILRRHHLA GRKLHELADY DATA SEQUENCE EVIQLNDTHP TIAIPELLRV LIDEHQMSWD DAWAITSKTF AYTNHTLMPE DATA SEQUENCE ALERWDVKLV KGLLPRHMQI INEINTRFKT LVEKTWPGDE KVWAKLAVVH DATA SEQUENCE DKQVHMANLC VVGGFAVNGV AALHSDLVVK DLFPEYHQLW PNKFHNVTNG DATA SEQUENCE ITPRRWIKQC NPALAALLDK SLQKEWANDL DQLINLEKFA DDAKFRQQYR DATA SEQUENCE EIKQANKVRL AEFVKVRTGI EINPQAIFDI QIKRLHEYKR QHLNLLHILA DATA SEQUENCE LYKEIRENPQ ADRVPRVFLF GAKAAPGYYL AKNIIFAINK VADVINNDPL DATA SEQUENCE VGDKLKVVFL PDYCVSAAEK LIPAADISEQ ISTAGKEASG TGNMKLALNG DATA SEQUENCE ALTVGTLDGA NVEIAEKVGE ENIFIFGHTV EQVKAILAKG YDPVKWRKKD DATA SEQUENCE KVLDAVLKEL ESGKYSDGDK HAFDQMLHSI GKQGGDPYLV MADFAAYVEA DATA SEQUENCE QKQVDVLYRD QEAWTRAAIL NTARCGMFSS DRSIRDYQAR IWQAKR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.572 174.600 -0.047 0.000 1.055 1 S CA 0.000 58.171 58.200 -0.049 0.000 1.107 1 S CB 0.000 63.186 63.200 -0.024 0.000 0.593 2 Q N 1.695 121.462 119.800 -0.055 0.000 3.113 2 Q HA 0.009 4.350 4.340 0.001 0.000 0.355 2 Q C -2.051 173.973 176.000 0.040 0.000 1.078 2 Q CA 0.059 55.835 55.803 -0.045 0.000 1.197 2 Q CB -0.541 28.171 28.738 -0.042 0.000 0.954 2 Q HN 0.390 nan 8.270 nan 0.000 0.415 3 P HA 0.057 nan 4.420 nan 0.000 0.269 3 P C -0.575 177.002 177.300 0.462 0.000 1.215 3 P CA -0.028 63.200 63.100 0.213 0.000 0.780 3 P CB 0.581 32.381 31.700 0.167 0.000 0.898 4 I N 2.545 123.345 120.570 0.383 0.000 2.321 4 I HA 0.239 4.409 4.170 0.001 0.000 0.291 4 I C 0.151 176.303 176.117 0.059 0.000 0.998 4 I CA -0.662 60.789 61.300 0.252 0.000 1.227 4 I CB 0.046 38.104 38.000 0.097 0.000 1.368 4 I HN 0.318 nan 8.210 nan 0.000 0.466 5 F N 7.564 127.269 119.950 -0.408 0.000 2.443 5 F HA 0.266 4.794 4.527 0.001 0.000 0.353 5 F C 0.409 175.924 175.800 -0.475 0.000 1.101 5 F CA 0.186 57.570 58.000 -1.027 0.000 1.226 5 F CB 0.500 38.651 39.000 -1.415 0.000 1.140 5 F HN 0.512 nan 8.300 nan 0.000 0.557 6 N N 4.889 122.853 118.700 -1.227 0.000 2.461 6 N HA 0.075 4.816 4.740 0.001 0.000 0.284 6 N C 0.002 174.970 175.510 -0.904 0.000 1.049 6 N CA -0.328 52.291 53.050 -0.718 0.000 0.889 6 N CB 1.448 39.696 38.487 -0.399 0.000 1.365 6 N HN 0.862 nan 8.380 nan 0.000 0.499 7 D N 3.091 123.241 120.400 -0.417 0.000 2.104 7 D HA -0.169 4.471 4.640 0.001 0.000 0.194 7 D C 1.664 177.940 176.300 -0.041 0.000 0.994 7 D CA 1.548 55.495 54.000 -0.089 0.000 0.830 7 D CB 0.382 41.254 40.800 0.120 0.000 0.959 7 D HN 0.573 nan 8.370 nan 0.000 0.452 8 K N -0.018 120.336 120.400 -0.077 0.000 2.097 8 K HA -0.211 4.110 4.320 0.001 0.000 0.205 8 K C 2.210 178.761 176.600 -0.082 0.000 1.050 8 K CA 1.139 57.399 56.287 -0.044 0.000 0.938 8 K CB -0.143 32.328 32.500 -0.048 0.000 0.718 8 K HN 0.263 nan 8.250 nan 0.000 0.442 9 Q N -0.267 119.437 119.800 -0.160 0.000 2.084 9 Q HA -0.210 4.131 4.340 0.001 0.000 0.202 9 Q C 1.966 177.893 176.000 -0.122 0.000 0.978 9 Q CA 1.625 57.330 55.803 -0.162 0.000 0.844 9 Q CB -0.218 28.389 28.738 -0.220 0.000 0.898 9 Q HN 0.338 nan 8.270 nan 0.000 0.426 10 F N 1.309 121.071 119.950 -0.314 0.000 2.126 10 F HA -0.247 4.280 4.527 0.001 0.000 0.299 10 F C 2.267 178.041 175.800 -0.042 0.000 1.096 10 F CA 1.655 59.555 58.000 -0.167 0.000 1.255 10 F CB -0.159 38.786 39.000 -0.092 0.000 0.997 10 F HN 0.148 nan 8.300 nan 0.000 0.479 11 Q N 0.377 120.181 119.800 0.007 0.000 2.079 11 Q HA -0.189 4.151 4.340 0.001 0.000 0.200 11 Q C 2.183 178.119 176.000 -0.106 0.000 0.974 11 Q CA 1.856 57.658 55.803 -0.001 0.000 0.840 11 Q CB -0.607 28.215 28.738 0.140 0.000 0.898 11 Q HN 0.590 nan 8.270 nan 0.000 0.430 12 E N 0.876 121.007 120.200 -0.115 0.000 2.077 12 E HA -0.136 4.215 4.350 0.001 0.000 0.193 12 E C 2.003 178.455 176.600 -0.247 0.000 0.989 12 E CA 0.956 57.260 56.400 -0.160 0.000 0.800 12 E CB -0.122 29.501 29.700 -0.128 0.000 0.746 12 E HN 0.333 nan 8.360 nan 0.000 0.452 13 A N 1.241 123.907 122.820 -0.256 0.000 1.883 13 A HA -0.203 4.117 4.320 0.001 0.000 0.217 13 A C 2.185 179.529 177.584 -0.399 0.000 1.186 13 A CA 1.263 53.125 52.037 -0.291 0.000 0.624 13 A CB -0.619 18.238 19.000 -0.238 0.000 0.822 13 A HN 0.234 nan 8.150 nan 0.000 0.444 14 L N 0.732 121.659 121.223 -0.494 0.000 2.046 14 L HA -0.141 4.199 4.340 0.001 0.000 0.208 14 L C 2.804 179.367 176.870 -0.512 0.000 1.077 14 L CA 2.755 57.292 54.840 -0.504 0.000 0.747 14 L CB -0.592 41.120 42.059 -0.579 0.000 0.896 14 L HN 0.523 nan 8.230 nan 0.000 0.432 15 S N -1.054 114.335 115.700 -0.518 0.000 2.402 15 S HA -0.195 4.276 4.470 0.001 0.000 0.229 15 S C 2.146 176.041 174.600 -1.174 0.000 1.021 15 S CA 0.777 58.353 58.200 -1.039 0.000 0.974 15 S CB -0.604 62.248 63.200 -0.579 0.000 0.800 15 S HN 0.505 nan 8.310 nan 0.000 0.484 16 R N 0.821 120.899 120.500 -0.704 0.000 2.105 16 R HA -0.064 4.277 4.340 0.001 0.000 0.239 16 R C 2.704 178.633 176.300 -0.618 0.000 1.135 16 R CA 1.657 57.411 56.100 -0.576 0.000 0.967 16 R CB -0.290 29.772 30.300 -0.397 0.000 0.861 16 R HN 0.541 nan 8.270 nan 0.000 0.442 17 Q N 0.072 119.483 119.800 -0.649 0.000 1.993 17 Q HA -0.202 4.139 4.340 0.001 0.000 0.202 17 Q C 2.116 177.571 176.000 -0.907 0.000 0.984 17 Q CA 1.744 57.111 55.803 -0.727 0.000 0.837 17 Q CB -0.735 27.658 28.738 -0.575 0.000 0.902 17 Q HN 0.636 nan 8.270 nan 0.000 0.423 18 W N 1.163 122.099 121.300 -0.605 0.000 2.425 18 W HA -0.070 4.591 4.660 0.001 0.000 0.277 18 W C 1.347 177.665 176.519 -0.336 0.000 1.231 18 W CA 0.652 57.718 57.345 -0.465 0.000 1.248 18 W CB -0.671 28.596 29.460 -0.322 0.000 1.117 18 W HN 0.228 nan 8.180 nan 0.000 0.568 19 Q N 0.989 120.451 119.800 -0.563 0.000 2.167 19 Q HA -0.163 4.178 4.340 0.001 0.000 0.202 19 Q C 2.413 178.250 176.000 -0.271 0.000 0.970 19 Q CA 1.785 57.367 55.803 -0.369 0.000 0.855 19 Q CB -0.352 28.065 28.738 -0.534 0.000 0.911 19 Q HN 0.298 nan 8.270 nan 0.000 0.438 20 R N -0.198 120.064 120.500 -0.397 0.000 2.189 20 R HA -0.123 4.218 4.340 0.001 0.000 0.218 20 R C 0.859 177.064 176.300 -0.159 0.000 1.074 20 R CA 0.951 56.870 56.100 -0.302 0.000 0.991 20 R CB 0.158 30.238 30.300 -0.366 0.000 0.883 20 R HN 0.229 nan 8.270 nan 0.000 0.457 21 Y N -0.367 119.895 120.300 -0.063 0.000 2.490 21 Y HA 0.339 4.889 4.550 0.001 0.000 0.281 21 Y C 1.380 177.273 175.900 -0.011 0.000 1.174 21 Y CA -0.065 58.013 58.100 -0.037 0.000 1.295 21 Y CB -0.044 38.395 38.460 -0.035 0.000 1.062 21 Y HN 0.270 nan 8.280 nan 0.000 0.522 22 G N 0.803 109.660 108.800 0.096 0.000 2.225 22 G HA2 -0.261 3.699 3.960 0.001 0.000 0.264 22 G HA3 -0.261 3.699 3.960 0.001 0.000 0.264 22 G C -0.233 174.735 174.900 0.114 0.000 1.060 22 G CA 0.075 45.221 45.100 0.077 0.000 0.833 22 G HN 0.291 nan 8.290 nan 0.000 0.498 23 L N -0.866 120.468 121.223 0.185 0.000 2.387 23 L HA 0.475 4.816 4.340 0.001 0.000 0.266 23 L C 1.342 178.347 176.870 0.225 0.000 1.059 23 L CA -1.305 53.634 54.840 0.165 0.000 0.801 23 L CB 0.758 42.901 42.059 0.140 0.000 1.223 23 L HN -0.025 nan 8.230 nan 0.000 0.456 24 N N -0.140 118.602 118.700 0.070 0.000 2.416 24 N HA -0.011 4.729 4.740 0.001 0.000 0.177 24 N C 0.027 175.424 175.510 -0.188 0.000 1.036 24 N CA 0.456 53.536 53.050 0.049 0.000 0.901 24 N CB 0.332 38.813 38.487 -0.009 0.000 0.976 24 N HN 0.716 nan 8.380 nan 0.000 0.444 25 S N -2.358 112.957 115.700 -0.641 0.000 2.615 25 S HA 0.618 5.089 4.470 0.001 0.000 0.268 25 S C 0.481 174.158 174.600 -1.538 0.000 1.146 25 S CA -0.311 57.052 58.200 -1.396 0.000 0.818 25 S CB 1.174 64.018 63.200 -0.593 0.000 1.111 25 S HN -0.008 nan 8.310 nan 0.000 0.465 26 A N 1.038 122.842 122.820 -1.694 0.000 1.933 26 A HA 0.299 4.620 4.320 0.001 0.000 0.218 26 A C 2.298 179.649 177.584 -0.388 0.000 1.175 26 A CA 2.009 53.401 52.037 -1.074 0.000 0.628 26 A CB -1.581 17.102 19.000 -0.529 0.000 0.814 26 A HN 1.717 nan 8.150 nan 0.000 0.444 27 A N -0.255 122.507 122.820 -0.097 0.000 2.024 27 A HA -0.189 4.131 4.320 0.001 0.000 0.220 27 A C 1.825 179.449 177.584 0.067 0.000 1.164 27 A CA 1.669 53.787 52.037 0.135 0.000 0.643 27 A CB -0.478 18.561 19.000 0.065 0.000 0.806 27 A HN 0.646 nan 8.150 nan 0.000 0.451 28 E N -0.788 119.354 120.200 -0.097 0.000 2.418 28 E HA 0.004 4.355 4.350 0.001 0.000 0.197 28 E C 0.289 176.861 176.600 -0.047 0.000 1.026 28 E CA -0.142 56.219 56.400 -0.064 0.000 0.862 28 E CB -0.148 29.491 29.700 -0.101 0.000 0.799 28 E HN 0.645 nan 8.360 nan 0.000 0.518 29 M N 1.400 120.920 119.600 -0.133 0.000 2.245 29 M HA 0.000 4.481 4.480 0.001 0.000 0.344 29 M C 0.727 177.058 176.300 0.052 0.000 1.170 29 M CA 0.077 55.274 55.300 -0.172 0.000 1.135 29 M CB 0.652 32.864 32.600 -0.647 0.000 1.574 29 M HN 0.003 nan 8.290 nan 0.000 0.452 30 T N 0.179 114.757 114.554 0.041 0.000 2.802 30 T HA 0.139 4.489 4.350 0.001 0.000 0.305 30 T C -2.062 172.793 174.700 0.259 0.000 1.053 30 T CA -1.401 60.771 62.100 0.119 0.000 1.058 30 T CB 0.255 69.150 68.868 0.045 0.000 0.988 30 T HN 0.416 nan 8.240 nan 0.000 0.539 31 P HA -0.114 nan 4.420 nan 0.000 0.216 31 P C 1.722 179.203 177.300 0.301 0.000 1.153 31 P CA 1.103 64.372 63.100 0.282 0.000 0.858 31 P CB 0.044 31.845 31.700 0.169 0.000 0.789 32 R N -0.326 120.297 120.500 0.206 0.000 2.092 32 R HA -0.127 4.213 4.340 0.001 0.000 0.231 32 R C 2.313 178.736 176.300 0.204 0.000 1.119 32 R CA 1.372 57.606 56.100 0.223 0.000 0.970 32 R CB -0.338 30.034 30.300 0.120 0.000 0.864 32 R HN 0.243 nan 8.270 nan 0.000 0.440 33 Q N -1.086 118.746 119.800 0.053 0.000 2.124 33 Q HA -0.207 4.134 4.340 0.001 0.000 0.202 33 Q C 1.696 177.734 176.000 0.063 0.000 0.977 33 Q CA 1.787 57.531 55.803 -0.098 0.000 0.850 33 Q CB -0.147 28.427 28.738 -0.273 0.000 0.901 33 Q HN 0.441 nan 8.270 nan 0.000 0.429 34 W N -0.305 121.063 121.300 0.113 0.000 2.335 34 W HA -0.245 4.416 4.660 0.001 0.000 0.311 34 W C 2.067 178.645 176.519 0.098 0.000 1.213 34 W CA 0.904 58.311 57.345 0.104 0.000 1.274 34 W CB -0.482 29.040 29.460 0.102 0.000 1.148 34 W HN 0.333 nan 8.180 nan 0.000 0.498 35 W N 0.540 122.020 121.300 0.299 0.000 2.355 35 W HA -0.207 4.454 4.660 0.001 0.000 0.309 35 W C 2.015 178.608 176.519 0.124 0.000 1.206 35 W CA 2.085 59.550 57.345 0.199 0.000 1.284 35 W CB -0.844 28.718 29.460 0.169 0.000 1.145 35 W HN -0.203 nan 8.180 nan 0.000 0.502 36 L N 0.552 121.651 121.223 -0.206 0.000 1.994 36 L HA -0.213 4.127 4.340 0.001 0.000 0.208 36 L C 2.794 179.473 176.870 -0.320 0.000 1.071 36 L CA 1.709 56.301 54.840 -0.413 0.000 0.745 36 L CB -1.572 40.446 42.059 -0.069 0.000 0.892 36 L HN 0.109 nan 8.230 nan 0.000 0.431 37 A N -0.280 122.488 122.820 -0.088 0.000 1.865 37 A HA -0.176 4.144 4.320 0.001 0.000 0.217 37 A C 2.338 179.794 177.584 -0.215 0.000 1.191 37 A CA 2.032 53.983 52.037 -0.144 0.000 0.623 37 A CB -1.003 17.922 19.000 -0.124 0.000 0.826 37 A HN 0.190 nan 8.150 nan 0.000 0.444 38 V N 0.169 120.022 119.914 -0.101 0.000 2.332 38 V HA -0.246 3.875 4.120 0.001 0.000 0.248 38 V C 2.800 178.804 176.094 -0.150 0.000 1.055 38 V CA 2.425 64.727 62.300 0.004 0.000 1.038 38 V CB -0.811 31.135 31.823 0.206 0.000 0.651 38 V HN 0.587 nan 8.190 nan 0.000 0.450 39 S N -0.756 114.681 115.700 -0.439 0.000 2.368 39 S HA -0.151 4.320 4.470 0.001 0.000 0.224 39 S C 1.903 175.974 174.600 -0.882 0.000 1.029 39 S CA 1.097 58.869 58.200 -0.712 0.000 0.988 39 S CB -0.241 62.318 63.200 -1.069 0.000 0.838 39 S HN 0.640 nan 8.310 nan 0.000 0.462 40 E N 1.486 121.296 120.200 -0.650 0.000 2.150 40 E HA -0.034 4.317 4.350 0.001 0.000 0.193 40 E C 2.358 178.729 176.600 -0.383 0.000 0.985 40 E CA 0.932 57.017 56.400 -0.525 0.000 0.814 40 E CB -0.263 29.216 29.700 -0.368 0.000 0.752 40 E HN 0.504 nan 8.360 nan 0.000 0.466 41 A N 1.343 123.977 122.820 -0.309 0.000 1.902 41 A HA -0.132 4.189 4.320 0.001 0.000 0.217 41 A C 2.281 179.833 177.584 -0.053 0.000 1.181 41 A CA 0.972 52.883 52.037 -0.210 0.000 0.623 41 A CB -0.608 18.220 19.000 -0.288 0.000 0.818 41 A HN 0.127 nan 8.150 nan 0.000 0.443 42 L N -0.843 120.373 121.223 -0.013 0.000 2.093 42 L HA -0.131 4.210 4.340 0.001 0.000 0.208 42 L C 3.050 179.959 176.870 0.064 0.000 1.085 42 L CA 0.903 55.857 54.840 0.191 0.000 0.755 42 L CB -0.485 41.768 42.059 0.322 0.000 0.904 42 L HN 0.418 nan 8.230 nan 0.000 0.435 43 A N -0.159 122.458 122.820 -0.337 0.000 1.902 43 A HA -0.223 4.097 4.320 0.001 0.000 0.217 43 A C 2.207 179.776 177.584 -0.025 0.000 1.181 43 A CA 1.612 53.527 52.037 -0.203 0.000 0.623 43 A CB -0.428 18.282 19.000 -0.484 0.000 0.818 43 A HN 0.411 nan 8.150 nan 0.000 0.443 44 E N -0.724 119.429 120.200 -0.077 0.000 2.058 44 E HA -0.217 4.134 4.350 0.001 0.000 0.194 44 E C 2.125 178.746 176.600 0.035 0.000 0.997 44 E CA 1.655 58.031 56.400 -0.040 0.000 0.801 44 E CB -0.255 29.391 29.700 -0.090 0.000 0.746 44 E HN 0.669 nan 8.360 nan 0.000 0.450 45 M N 0.130 119.788 119.600 0.098 0.000 2.117 45 M HA -0.182 4.299 4.480 0.001 0.000 0.262 45 M C 2.441 178.894 176.300 0.255 0.000 1.065 45 M CA 0.979 56.395 55.300 0.193 0.000 1.114 45 M CB -0.240 32.556 32.600 0.326 0.000 1.361 45 M HN 0.145 nan 8.290 nan 0.000 0.408 46 L N 0.525 121.898 121.223 0.250 0.000 2.017 46 L HA -0.185 4.156 4.340 0.001 0.000 0.208 46 L C 2.370 179.316 176.870 0.127 0.000 1.073 46 L CA 1.937 56.881 54.840 0.174 0.000 0.745 46 L CB -0.393 41.777 42.059 0.186 0.000 0.894 46 L HN 0.139 nan 8.230 nan 0.000 0.432 47 R N -0.657 119.908 120.500 0.109 0.000 2.189 47 R HA 0.055 4.396 4.340 0.001 0.000 0.218 47 R C 1.953 178.290 176.300 0.062 0.000 1.074 47 R CA 0.781 56.927 56.100 0.077 0.000 0.991 47 R CB -0.391 29.940 30.300 0.052 0.000 0.883 47 R HN 0.494 nan 8.270 nan 0.000 0.457 48 A N 0.648 123.508 122.820 0.067 0.000 2.238 48 A HA 0.011 4.332 4.320 0.001 0.000 0.208 48 A C 0.462 178.088 177.584 0.070 0.000 1.177 48 A CA 0.238 52.306 52.037 0.051 0.000 0.804 48 A CB 0.154 19.174 19.000 0.034 0.000 0.823 48 A HN 0.078 nan 8.150 nan 0.000 0.482 49 Q N 1.268 121.125 119.800 0.096 0.000 2.293 49 Q HA 0.291 4.632 4.340 0.001 0.000 0.251 49 Q C -2.245 173.811 176.000 0.092 0.000 0.930 49 Q CA -1.894 53.970 55.803 0.102 0.000 0.893 49 Q CB 0.413 29.215 28.738 0.106 0.000 1.215 49 Q HN 0.332 nan 8.270 nan 0.000 0.425 50 P HA -0.022 nan 4.420 nan 0.000 0.267 50 P C -0.367 177.011 177.300 0.131 0.000 1.200 50 P CA -0.185 62.976 63.100 0.101 0.000 0.772 50 P CB 0.327 32.072 31.700 0.074 0.000 0.855 51 F N 2.177 122.128 119.950 0.001 0.000 2.571 51 F HA 0.274 4.802 4.527 0.001 0.000 0.384 51 F C 0.258 176.056 175.800 -0.003 0.000 1.058 51 F CA -0.367 57.631 58.000 -0.003 0.000 1.200 51 F CB 0.093 39.089 39.000 -0.007 0.000 1.077 51 F HN 0.405 nan 8.300 nan 0.000 0.558 52 A N 7.658 130.165 122.820 -0.523 0.000 2.260 52 A HA 0.413 4.734 4.320 0.001 0.000 0.308 52 A C -0.428 176.629 177.584 -0.879 0.000 1.254 52 A CA -0.933 50.807 52.037 -0.496 0.000 0.874 52 A CB 0.069 18.893 19.000 -0.293 0.000 1.153 52 A HN 0.789 nan 8.150 nan 0.000 0.527 53 K N 4.043 124.091 120.400 -0.586 0.000 2.326 53 K HA 0.469 4.790 4.320 0.001 0.000 0.275 53 K C -2.338 174.124 176.600 -0.228 0.000 1.018 53 K CA -1.054 54.985 56.287 -0.413 0.000 0.962 53 K CB 0.402 32.890 32.500 -0.021 0.000 0.953 53 K HN 0.449 nan 8.250 nan 0.000 0.475 54 P HA 0.011 nan 4.420 nan 0.000 0.277 54 P C -0.362 176.932 177.300 -0.010 0.000 1.276 54 P CA -0.675 62.392 63.100 -0.055 0.000 0.788 54 P CB 0.430 32.133 31.700 0.004 0.000 1.114 55 V N 0.224 120.140 119.914 0.003 0.000 2.673 55 V HA 0.194 4.314 4.120 0.001 0.000 0.303 55 V C 1.097 177.215 176.094 0.040 0.000 1.046 55 V CA 0.138 62.448 62.300 0.018 0.000 1.126 55 V CB -0.064 31.771 31.823 0.019 0.000 0.934 55 V HN 0.796 nan 8.190 nan 0.000 0.487 56 A N 3.800 126.644 122.820 0.040 0.000 2.287 56 A HA 0.486 4.806 4.320 0.001 0.000 0.273 56 A C 0.758 178.375 177.584 0.056 0.000 1.091 56 A CA -0.085 51.985 52.037 0.054 0.000 0.817 56 A CB -0.360 18.669 19.000 0.047 0.000 1.069 56 A HN 1.141 nan 8.150 nan 0.000 0.492 57 N N -0.744 117.998 118.700 0.070 0.000 2.727 57 N HA -0.178 4.563 4.740 0.001 0.000 0.249 57 N C -0.713 174.826 175.510 0.048 0.000 1.048 57 N CA 1.203 54.290 53.050 0.061 0.000 0.714 57 N CB -1.216 37.294 38.487 0.039 0.000 0.959 57 N HN 0.766 nan 8.380 nan 0.000 0.544 58 Q N -0.159 119.682 119.800 0.069 0.000 2.413 58 Q HA 0.454 4.794 4.340 0.001 0.000 0.276 58 Q C -0.277 175.775 176.000 0.087 0.000 1.099 58 Q CA -1.053 54.788 55.803 0.063 0.000 0.814 58 Q CB 1.998 30.776 28.738 0.068 0.000 1.379 58 Q HN 0.160 nan 8.270 nan 0.000 0.436 59 R N 0.865 121.404 120.500 0.064 0.000 2.623 59 R HA 0.042 4.383 4.340 0.001 0.000 0.271 59 R C -0.171 176.192 176.300 0.104 0.000 1.043 59 R CA -0.042 56.108 56.100 0.083 0.000 1.083 59 R CB 0.125 30.449 30.300 0.040 0.000 0.974 59 R HN 0.565 nan 8.270 nan 0.000 0.436 60 H N 1.103 120.190 119.070 0.028 0.000 2.683 60 H HA 0.166 4.723 4.556 0.001 0.000 0.339 60 H C -0.720 174.555 175.328 -0.089 0.000 1.081 60 H CA -0.280 55.761 56.048 -0.011 0.000 1.432 60 H CB 0.820 30.601 29.762 0.031 0.000 1.462 60 H HN 0.167 nan 8.280 nan 0.000 0.557 61 V N 6.217 125.806 119.914 -0.543 0.000 2.364 61 V HA 0.131 4.251 4.120 0.001 0.000 0.272 61 V C -0.256 175.603 176.094 -0.392 0.000 1.036 61 V CA -0.833 61.119 62.300 -0.580 0.000 0.880 61 V CB 0.931 32.201 31.823 -0.922 0.000 0.991 61 V HN 0.838 nan 8.190 nan 0.000 0.460 62 N N 4.375 123.007 118.700 -0.113 0.000 2.485 62 N HA 0.222 4.962 4.740 0.001 0.000 0.243 62 N C -1.058 174.563 175.510 0.184 0.000 0.987 62 N CA -0.301 52.850 53.050 0.169 0.000 0.940 62 N CB 1.425 40.095 38.487 0.304 0.000 1.122 62 N HN 0.687 nan 8.380 nan 0.000 0.509 63 Y N 3.196 123.567 120.300 0.120 0.000 2.518 63 Y HA 0.388 4.939 4.550 0.001 0.000 0.344 63 Y C -0.102 176.029 175.900 0.385 0.000 0.982 63 Y CA -0.633 57.584 58.100 0.196 0.000 1.234 63 Y CB 0.332 38.894 38.460 0.169 0.000 1.114 63 Y HN 0.377 nan 8.280 nan 0.000 0.515 64 I N 5.133 125.774 120.570 0.118 0.000 2.304 64 I HA 0.319 4.490 4.170 0.001 0.000 0.291 64 I C -0.042 176.154 176.117 0.131 0.000 1.018 64 I CA -0.296 61.160 61.300 0.260 0.000 1.260 64 I CB 1.005 39.138 38.000 0.222 0.000 1.390 64 I HN 0.475 nan 8.210 nan 0.000 0.475 65 S N 5.998 121.849 115.700 0.251 0.000 2.541 65 S HA 0.447 4.918 4.470 0.001 0.000 0.271 65 S C 0.475 175.186 174.600 0.185 0.000 1.133 65 S CA -0.748 57.498 58.200 0.078 0.000 0.876 65 S CB 1.904 64.936 63.200 -0.281 0.000 1.105 65 S HN 0.662 nan 8.310 nan 0.000 0.470 66 M N 2.004 121.719 119.600 0.192 0.000 2.476 66 M HA 0.068 4.549 4.480 0.001 0.000 0.262 66 M C 0.228 176.638 176.300 0.183 0.000 1.079 66 M CA 0.990 56.409 55.300 0.199 0.000 1.104 66 M CB -0.406 32.239 32.600 0.074 0.000 1.409 66 M HN 0.733 nan 8.290 nan 0.000 0.467 67 E N -0.645 119.571 120.200 0.028 0.000 2.314 67 E HA 0.492 4.843 4.350 0.001 0.000 0.272 67 E C -1.402 175.067 176.600 -0.219 0.000 0.884 67 E CA -0.691 55.714 56.400 0.009 0.000 0.753 67 E CB 1.466 31.123 29.700 -0.071 0.000 1.213 67 E HN -0.045 nan 8.360 nan 0.000 0.432 68 F N 2.142 122.127 119.950 0.058 0.000 2.610 68 F HA 0.257 4.784 4.527 0.001 0.000 0.355 68 F C -0.694 175.081 175.800 -0.042 0.000 1.140 68 F CA -0.887 57.126 58.000 0.022 0.000 1.037 68 F CB 1.607 40.621 39.000 0.024 0.000 1.287 68 F HN 0.420 nan 8.300 nan 0.000 0.457 69 L N 6.038 127.290 121.223 0.048 0.000 2.423 69 L HA 0.313 4.653 4.340 0.001 0.000 0.249 69 L C 1.260 178.130 176.870 -0.000 0.000 1.276 69 L CA 0.330 55.163 54.840 -0.011 0.000 1.199 69 L CB -0.587 41.456 42.059 -0.027 0.000 1.407 69 L HN 0.661 nan 8.230 nan 0.000 0.410 70 I N -0.444 120.111 120.570 -0.024 0.000 2.546 70 I HA 0.288 4.459 4.170 0.001 0.000 0.255 70 I C 1.285 177.347 176.117 -0.092 0.000 1.163 70 I CA 0.514 61.788 61.300 -0.043 0.000 1.457 70 I CB -0.848 37.109 38.000 -0.071 0.000 1.092 70 I HN 0.547 nan 8.210 nan 0.000 0.434 71 G N 1.557 110.285 108.800 -0.121 0.000 2.796 71 G HA2 -0.249 3.712 3.960 0.001 0.000 0.226 71 G HA3 -0.249 3.712 3.960 0.001 0.000 0.226 71 G C -0.356 174.486 174.900 -0.097 0.000 1.381 71 G CA -0.306 44.719 45.100 -0.125 0.000 0.867 71 G HN 0.575 nan 8.290 nan 0.000 0.552 72 R N -0.557 119.908 120.500 -0.059 0.000 2.585 72 R HA 0.274 4.615 4.340 0.001 0.000 0.275 72 R C 1.456 177.775 176.300 0.033 0.000 1.018 72 R CA 0.126 56.250 56.100 0.040 0.000 1.072 72 R CB 0.240 30.566 30.300 0.043 0.000 0.953 72 R HN 0.439 nan 8.270 nan 0.000 0.419 73 L N 1.463 122.756 121.223 0.118 0.000 2.357 73 L HA -0.025 4.316 4.340 0.001 0.000 0.211 73 L C 1.942 178.751 176.870 -0.101 0.000 1.075 73 L CA 0.611 55.390 54.840 -0.103 0.000 0.830 73 L CB -0.083 41.770 42.059 -0.344 0.000 0.996 73 L HN 0.732 nan 8.230 nan 0.000 0.467 74 T N 0.178 114.886 114.554 0.257 0.000 2.674 74 T HA -0.144 4.206 4.350 0.001 0.000 0.265 74 T C 1.837 176.694 174.700 0.261 0.000 1.039 74 T CA 1.672 64.037 62.100 0.441 0.000 1.150 74 T CB -0.462 68.828 68.868 0.703 0.000 0.864 74 T HN 0.518 nan 8.240 nan 0.000 0.427 75 G N 1.174 110.118 108.800 0.241 0.000 2.418 75 G HA2 -0.274 3.686 3.960 0.001 0.000 0.217 75 G HA3 -0.274 3.686 3.960 0.001 0.000 0.217 75 G C 1.503 176.510 174.900 0.177 0.000 1.158 75 G CA 1.194 46.454 45.100 0.267 0.000 0.771 75 G HN 0.559 nan 8.290 nan 0.000 0.545 76 N N 0.928 119.648 118.700 0.034 0.000 2.104 76 N HA -0.132 4.609 4.740 0.001 0.000 0.190 76 N C 2.015 177.480 175.510 -0.075 0.000 1.024 76 N CA 1.759 54.776 53.050 -0.055 0.000 0.853 76 N CB -0.214 38.194 38.487 -0.131 0.000 1.008 76 N HN 0.174 nan 8.380 nan 0.000 0.424 77 N N 0.133 118.750 118.700 -0.139 0.000 2.142 77 N HA -0.043 4.698 4.740 0.001 0.000 0.186 77 N C 1.648 177.094 175.510 -0.105 0.000 1.023 77 N CA 0.738 53.657 53.050 -0.218 0.000 0.852 77 N CB -0.400 37.790 38.487 -0.495 0.000 0.998 77 N HN 0.292 nan 8.380 nan 0.000 0.424 78 L N 0.445 121.696 121.223 0.046 0.000 2.012 78 L HA -0.159 4.182 4.340 0.001 0.000 0.210 78 L C 2.329 179.268 176.870 0.115 0.000 1.073 78 L CA 0.922 55.838 54.840 0.126 0.000 0.748 78 L CB -0.490 41.695 42.059 0.210 0.000 0.891 78 L HN 0.182 nan 8.230 nan 0.000 0.431 79 L N -0.202 121.108 121.223 0.144 0.000 2.046 79 L HA -0.222 4.119 4.340 0.001 0.000 0.208 79 L C 2.288 179.156 176.870 -0.002 0.000 1.077 79 L CA 1.562 56.447 54.840 0.075 0.000 0.747 79 L CB -0.327 41.745 42.059 0.020 0.000 0.896 79 L HN 0.281 nan 8.230 nan 0.000 0.432 80 N N -0.122 118.553 118.700 -0.040 0.000 2.188 80 N HA -0.131 4.610 4.740 0.001 0.000 0.184 80 N C 1.821 177.163 175.510 -0.279 0.000 1.018 80 N CA 1.455 54.452 53.050 -0.088 0.000 0.858 80 N CB -0.343 38.109 38.487 -0.058 0.000 0.989 80 N HN 0.352 nan 8.380 nan 0.000 0.426 81 L N -0.635 120.389 121.223 -0.331 0.000 2.217 81 L HA 0.049 4.389 4.340 0.001 0.000 0.211 81 L C 1.066 177.711 176.870 -0.375 0.000 1.107 81 L CA 0.702 55.218 54.840 -0.540 0.000 0.783 81 L CB -0.470 40.943 42.059 -1.075 0.000 0.919 81 L HN 0.287 nan 8.230 nan 0.000 0.442 82 G N -1.726 106.970 108.800 -0.172 0.000 2.171 82 G HA2 -0.238 3.723 3.960 0.001 0.000 0.238 82 G HA3 -0.238 3.723 3.960 0.001 0.000 0.238 82 G C -0.015 175.048 174.900 0.271 0.000 1.039 82 G CA -0.011 45.099 45.100 0.015 0.000 0.759 82 G HN 0.337 nan 8.290 nan 0.000 0.501 83 W N -1.263 120.012 121.300 -0.042 0.000 3.008 83 W HA 0.388 5.048 4.660 0.001 0.000 0.355 83 W C 1.632 178.026 176.519 -0.208 0.000 1.095 83 W CA -0.817 56.432 57.345 -0.160 0.000 1.738 83 W CB -0.849 28.551 29.460 -0.101 0.000 1.091 83 W HN 0.350 nan 8.180 nan 0.000 0.574 84 Y N 2.097 122.421 120.300 0.040 0.000 2.014 84 Y HA -0.408 4.143 4.550 0.001 0.000 0.272 84 Y C 2.802 178.643 175.900 -0.099 0.000 1.164 84 Y CA 3.152 61.239 58.100 -0.022 0.000 1.114 84 Y CB -0.636 37.822 38.460 -0.002 0.000 0.961 84 Y HN 0.004 nan 8.280 nan 0.000 0.489 85 Q N 0.291 120.194 119.800 0.172 0.000 2.135 85 Q HA -0.199 4.141 4.340 0.001 0.000 0.204 85 Q C 1.732 177.638 176.000 -0.157 0.000 0.981 85 Q CA 2.195 58.028 55.803 0.050 0.000 0.856 85 Q CB -0.341 28.429 28.738 0.053 0.000 0.902 85 Q HN 0.497 nan 8.270 nan 0.000 0.425 86 D N -0.845 119.367 120.400 -0.312 0.000 2.097 86 D HA -0.131 4.510 4.640 0.001 0.000 0.195 86 D C 1.879 177.750 176.300 -0.715 0.000 0.989 86 D CA 1.462 55.120 54.000 -0.570 0.000 0.827 86 D CB -0.102 40.064 40.800 -1.056 0.000 0.966 86 D HN 0.191 nan 8.370 nan 0.000 0.456 87 V N 0.916 120.347 119.914 -0.805 0.000 2.343 87 V HA -0.249 3.872 4.120 0.001 0.000 0.247 87 V C 2.631 178.495 176.094 -0.382 0.000 1.051 87 V CA 1.594 63.471 62.300 -0.706 0.000 1.036 87 V CB -0.539 30.946 31.823 -0.563 0.000 0.654 87 V HN 0.193 nan 8.190 nan 0.000 0.451 88 Q N -0.243 119.366 119.800 -0.319 0.000 2.112 88 Q HA -0.280 4.061 4.340 0.001 0.000 0.206 88 Q C 1.954 177.896 176.000 -0.097 0.000 0.987 88 Q CA 2.280 57.974 55.803 -0.181 0.000 0.858 88 Q CB -0.104 28.560 28.738 -0.123 0.000 0.905 88 Q HN 0.653 nan 8.270 nan 0.000 0.420 89 D N -0.582 119.752 120.400 -0.109 0.000 2.117 89 D HA -0.081 4.560 4.640 0.001 0.000 0.198 89 D C 1.968 178.268 176.300 0.001 0.000 0.982 89 D CA 1.192 55.162 54.000 -0.050 0.000 0.828 89 D CB -0.284 40.480 40.800 -0.059 0.000 0.967 89 D HN 0.109 nan 8.370 nan 0.000 0.464 90 S N 0.036 115.728 115.700 -0.014 0.000 2.442 90 S HA -0.008 4.463 4.470 0.001 0.000 0.236 90 S C 1.924 176.713 174.600 0.316 0.000 1.007 90 S CA 0.381 58.673 58.200 0.152 0.000 0.965 90 S CB 0.022 63.324 63.200 0.169 0.000 0.773 90 S HN 0.253 nan 8.310 nan 0.000 0.504 91 L N 0.276 121.625 121.223 0.211 0.000 2.477 91 L HA 0.164 4.504 4.340 0.001 0.000 0.220 91 L C 2.316 179.296 176.870 0.184 0.000 1.106 91 L CA 0.353 55.359 54.840 0.276 0.000 0.851 91 L CB -0.125 41.991 42.059 0.096 0.000 0.994 91 L HN 0.101 nan 8.230 nan 0.000 0.462 92 K N 0.789 121.247 120.400 0.096 0.000 2.097 92 K HA -0.110 4.210 4.320 0.001 0.000 0.206 92 K C 2.013 178.634 176.600 0.036 0.000 1.049 92 K CA 1.375 57.686 56.287 0.040 0.000 0.933 92 K CB -0.035 32.475 32.500 0.017 0.000 0.717 92 K HN 0.259 nan 8.250 nan 0.000 0.442 93 A N -0.233 122.609 122.820 0.037 0.000 2.125 93 A HA -0.136 4.185 4.320 0.001 0.000 0.219 93 A C 1.164 178.640 177.584 -0.180 0.000 1.156 93 A CA 1.050 53.036 52.037 -0.084 0.000 0.671 93 A CB -0.386 18.522 19.000 -0.153 0.000 0.794 93 A HN 0.314 nan 8.150 nan 0.000 0.459 94 Y N -0.354 119.965 120.300 0.030 0.000 2.507 94 Y HA 0.157 4.708 4.550 0.001 0.000 0.254 94 Y C 0.016 175.866 175.900 -0.084 0.000 1.171 94 Y CA -0.334 57.781 58.100 0.025 0.000 1.238 94 Y CB 0.388 38.892 38.460 0.075 0.000 1.148 94 Y HN 0.323 nan 8.280 nan 0.000 0.525 95 D N 0.461 120.882 120.400 0.035 0.000 2.800 95 D HA -0.168 4.472 4.640 0.001 0.000 0.232 95 D C -0.685 175.540 176.300 -0.124 0.000 1.137 95 D CA 0.657 54.637 54.000 -0.033 0.000 0.718 95 D CB -1.103 39.686 40.800 -0.018 0.000 1.084 95 D HN 0.192 nan 8.370 nan 0.000 0.432 96 I N 0.943 121.416 120.570 -0.161 0.000 2.362 96 I HA 0.180 4.351 4.170 0.001 0.000 0.289 96 I C 0.730 176.765 176.117 -0.138 0.000 0.994 96 I CA -0.663 60.468 61.300 -0.282 0.000 1.158 96 I CB 1.465 39.119 38.000 -0.577 0.000 1.315 96 I HN -0.137 nan 8.210 nan 0.000 0.451 97 N N 4.681 123.316 118.700 -0.108 0.000 2.406 97 N HA 0.115 4.856 4.740 0.001 0.000 0.251 97 N C 0.960 176.451 175.510 -0.032 0.000 1.069 97 N CA -0.390 52.632 53.050 -0.047 0.000 0.947 97 N CB 0.837 39.310 38.487 -0.022 0.000 1.111 97 N HN 0.534 nan 8.380 nan 0.000 0.497 98 L N 3.583 124.787 121.223 -0.031 0.000 2.012 98 L HA -0.133 4.207 4.340 0.001 0.000 0.210 98 L C 1.804 178.696 176.870 0.036 0.000 1.073 98 L CA 1.979 56.797 54.840 -0.036 0.000 0.748 98 L CB -1.066 40.901 42.059 -0.154 0.000 0.891 98 L HN 0.632 nan 8.230 nan 0.000 0.431 99 T N -0.248 114.352 114.554 0.077 0.000 2.699 99 T HA -0.194 4.157 4.350 0.001 0.000 0.268 99 T C 1.457 176.211 174.700 0.090 0.000 1.036 99 T CA 1.733 63.904 62.100 0.117 0.000 1.147 99 T CB -0.385 68.551 68.868 0.114 0.000 0.862 99 T HN 0.430 nan 8.240 nan 0.000 0.446 100 D N 0.768 121.205 120.400 0.062 0.000 2.117 100 D HA 0.001 4.641 4.640 0.001 0.000 0.198 100 D C 2.058 178.404 176.300 0.077 0.000 0.982 100 D CA 0.465 54.500 54.000 0.057 0.000 0.828 100 D CB -0.600 40.220 40.800 0.033 0.000 0.967 100 D HN 0.275 nan 8.370 nan 0.000 0.464 101 L N 0.430 121.706 121.223 0.088 0.000 2.042 101 L HA -0.152 4.188 4.340 0.001 0.000 0.210 101 L C 2.112 179.129 176.870 0.244 0.000 1.076 101 L CA 1.124 56.065 54.840 0.169 0.000 0.749 101 L CB -0.165 41.994 42.059 0.167 0.000 0.893 101 L HN 0.014 nan 8.230 nan 0.000 0.432 102 L N -0.337 121.013 121.223 0.212 0.000 2.191 102 L HA -0.173 4.168 4.340 0.001 0.000 0.212 102 L C 2.440 179.336 176.870 0.044 0.000 1.103 102 L CA 0.863 55.834 54.840 0.218 0.000 0.769 102 L CB -0.662 41.521 42.059 0.207 0.000 0.908 102 L HN 0.357 nan 8.230 nan 0.000 0.438 103 E N -0.035 120.186 120.200 0.035 0.000 2.418 103 E HA -0.148 4.203 4.350 0.001 0.000 0.197 103 E C 1.752 178.304 176.600 -0.079 0.000 1.026 103 E CA 0.438 56.835 56.400 -0.006 0.000 0.862 103 E CB 0.037 29.762 29.700 0.042 0.000 0.799 103 E HN 0.486 nan 8.360 nan 0.000 0.518 104 E N 1.002 121.122 120.200 -0.132 0.000 2.268 104 E HA -0.104 4.246 4.350 0.001 0.000 0.195 104 E C 0.696 176.969 176.600 -0.546 0.000 0.995 104 E CA 0.268 56.541 56.400 -0.211 0.000 0.836 104 E CB -0.102 29.577 29.700 -0.035 0.000 0.763 104 E HN 0.373 nan 8.360 nan 0.000 0.491 105 E N 1.122 120.792 120.200 -0.883 0.000 2.351 105 E HA 0.041 4.391 4.350 0.001 0.000 0.266 105 E C -0.360 176.047 176.600 -0.322 0.000 1.031 105 E CA -0.159 55.665 56.400 -0.961 0.000 0.911 105 E CB 0.298 29.608 29.700 -0.650 0.000 0.986 105 E HN 0.006 nan 8.360 nan 0.000 0.446 106 I N 4.906 125.377 120.570 -0.165 0.000 2.452 106 I HA -0.027 4.144 4.170 0.001 0.000 0.287 106 I C 0.027 176.155 176.117 0.019 0.000 1.079 106 I CA -0.435 60.859 61.300 -0.009 0.000 1.387 106 I CB 0.520 38.571 38.000 0.085 0.000 1.404 106 I HN 0.527 nan 8.210 nan 0.000 0.522 107 D N 9.084 129.456 120.400 -0.046 0.000 2.648 107 D HA -0.012 4.628 4.640 0.001 0.000 0.229 107 D C -2.247 173.887 176.300 -0.277 0.000 1.119 107 D CA -0.394 53.534 54.000 -0.120 0.000 0.850 107 D CB -0.026 40.685 40.800 -0.149 0.000 1.169 107 D HN 0.234 nan 8.370 nan 0.000 0.489 108 P HA 0.063 nan 4.420 nan 0.000 0.260 108 P C -0.746 175.898 177.300 -1.094 0.000 1.185 108 P CA 0.078 62.378 63.100 -1.333 0.000 0.763 108 P CB 0.460 31.410 31.700 -1.252 0.000 0.776 109 A N 4.555 126.531 122.820 -1.406 0.000 3.004 109 A HA 0.228 4.549 4.320 0.001 0.000 0.286 109 A C 0.632 177.988 177.584 -0.381 0.000 1.632 109 A CA -0.004 51.661 52.037 -0.620 0.000 1.339 109 A CB -1.067 17.761 19.000 -0.287 0.000 1.136 109 A HN 0.617 nan 8.150 nan 0.000 0.577 110 L N 0.740 121.780 121.223 -0.305 0.000 2.966 110 L HA 0.366 4.707 4.340 0.001 0.000 0.262 110 L C 0.970 177.841 176.870 0.002 0.000 1.165 110 L CA 0.216 55.038 54.840 -0.030 0.000 0.978 110 L CB 0.741 42.749 42.059 -0.083 0.000 1.337 110 L HN 0.666 nan 8.230 nan 0.000 0.563 111 G N -1.178 107.548 108.800 -0.123 0.000 2.682 111 G HA2 0.238 4.199 3.960 0.001 0.000 0.290 111 G HA3 0.238 4.199 3.960 0.001 0.000 0.290 111 G C -0.504 174.318 174.900 -0.130 0.000 1.425 111 G CA -0.142 44.891 45.100 -0.112 0.000 0.807 111 G HN -0.174 nan 8.290 nan 0.000 0.482 112 N N -1.795 116.875 118.700 -0.049 0.000 2.559 112 N HA 0.325 5.066 4.740 0.001 0.000 0.247 112 N C 0.860 176.400 175.510 0.049 0.000 1.063 112 N CA 1.367 54.426 53.050 0.016 0.000 0.876 112 N CB 1.052 39.652 38.487 0.189 0.000 1.608 112 N HN 0.961 nan 8.380 nan 0.000 0.467 113 G N -1.317 107.523 108.800 0.067 0.000 2.827 113 G HA2 0.360 4.321 3.960 0.001 0.000 0.202 113 G HA3 0.360 4.321 3.960 0.001 0.000 0.202 113 G C 0.616 175.534 174.900 0.030 0.000 1.185 113 G CA 0.160 45.300 45.100 0.067 0.000 0.920 113 G HN 0.186 nan 8.290 nan 0.000 0.550 114 G N -0.026 108.791 108.800 0.029 0.000 2.469 114 G HA2 -0.108 3.853 3.960 0.001 0.000 0.220 114 G HA3 -0.108 3.853 3.960 0.001 0.000 0.220 114 G C 1.792 176.651 174.900 -0.068 0.000 1.136 114 G CA 1.799 46.892 45.100 -0.013 0.000 0.759 114 G HN 0.691 nan 8.290 nan 0.000 0.562 115 L N 1.505 122.676 121.223 -0.086 0.000 2.027 115 L HA 0.197 4.538 4.340 0.001 0.000 0.206 115 L C 2.775 179.528 176.870 -0.195 0.000 1.074 115 L CA 2.442 57.151 54.840 -0.218 0.000 0.745 115 L CB -1.135 40.785 42.059 -0.231 0.000 0.898 115 L HN 0.142 nan 8.230 nan 0.000 0.433 116 G N -0.784 107.947 108.800 -0.115 0.000 2.446 116 G HA2 -0.360 3.601 3.960 0.001 0.000 0.217 116 G HA3 -0.360 3.601 3.960 0.001 0.000 0.217 116 G C 1.767 176.602 174.900 -0.108 0.000 1.168 116 G CA 0.923 45.945 45.100 -0.130 0.000 0.771 116 G HN 0.360 nan 8.290 nan 0.000 0.551 117 R N 0.014 120.478 120.500 -0.060 0.000 2.090 117 R HA 0.133 4.473 4.340 0.001 0.000 0.228 117 R C 2.419 178.684 176.300 -0.059 0.000 1.110 117 R CA 0.927 57.025 56.100 -0.004 0.000 0.973 117 R CB -0.954 29.366 30.300 0.033 0.000 0.869 117 R HN 0.364 nan 8.270 nan 0.000 0.440 118 L N 0.132 121.249 121.223 -0.176 0.000 2.017 118 L HA -0.052 4.289 4.340 0.001 0.000 0.208 118 L C 2.099 178.660 176.870 -0.514 0.000 1.073 118 L CA 2.215 56.815 54.840 -0.400 0.000 0.745 118 L CB -0.813 40.969 42.059 -0.461 0.000 0.894 118 L HN 0.243 nan 8.230 nan 0.000 0.432 119 A N -0.543 122.074 122.820 -0.337 0.000 1.917 119 A HA -0.205 4.115 4.320 0.001 0.000 0.219 119 A C 2.420 179.988 177.584 -0.026 0.000 1.182 119 A CA 2.056 53.943 52.037 -0.249 0.000 0.633 119 A CB -1.171 17.573 19.000 -0.426 0.000 0.819 119 A HN 0.601 nan 8.150 nan 0.000 0.448 120 A N -1.285 121.559 122.820 0.039 0.000 1.897 120 A HA -0.097 4.223 4.320 0.001 0.000 0.215 120 A C 2.317 179.964 177.584 0.104 0.000 1.181 120 A CA 1.495 53.611 52.037 0.132 0.000 0.620 120 A CB -1.211 17.855 19.000 0.110 0.000 0.821 120 A HN 0.587 nan 8.150 nan 0.000 0.443 121 C N -1.259 118.104 119.300 0.105 0.000 2.413 121 C HA -0.098 4.363 4.460 0.001 0.000 0.276 121 C C 2.433 177.589 174.990 0.277 0.000 1.236 121 C CA 0.811 59.939 59.018 0.182 0.000 1.735 121 C CB -1.614 26.247 27.740 0.201 0.000 2.031 121 C HN 0.617 nan 8.230 nan 0.000 0.474 122 F N 1.103 121.047 119.950 -0.010 0.000 2.120 122 F HA -0.137 4.391 4.527 0.001 0.000 0.300 122 F C 2.262 178.010 175.800 -0.086 0.000 1.095 122 F CA 1.113 59.065 58.000 -0.080 0.000 1.249 122 F CB -1.514 37.310 39.000 -0.294 0.000 0.995 122 F HN 0.223 nan 8.300 nan 0.000 0.480 123 L N -0.469 120.825 121.223 0.118 0.000 2.046 123 L HA -0.226 4.114 4.340 0.001 0.000 0.208 123 L C 2.438 179.324 176.870 0.027 0.000 1.077 123 L CA 1.809 56.675 54.840 0.043 0.000 0.747 123 L CB -0.700 41.392 42.059 0.054 0.000 0.896 123 L HN 0.175 nan 8.230 nan 0.000 0.432 124 D N -0.260 120.169 120.400 0.049 0.000 2.097 124 D HA -0.173 4.467 4.640 0.001 0.000 0.195 124 D C 2.051 178.371 176.300 0.034 0.000 0.989 124 D CA 1.719 55.734 54.000 0.025 0.000 0.827 124 D CB 0.317 41.132 40.800 0.026 0.000 0.966 124 D HN 0.218 nan 8.370 nan 0.000 0.456 125 S N 0.185 115.927 115.700 0.070 0.000 2.356 125 S HA -0.148 4.323 4.470 0.001 0.000 0.223 125 S C 2.193 176.810 174.600 0.028 0.000 1.032 125 S CA 1.172 59.406 58.200 0.057 0.000 1.005 125 S CB -0.227 63.025 63.200 0.087 0.000 0.867 125 S HN 0.364 nan 8.310 nan 0.000 0.449 126 M N 1.131 120.740 119.600 0.016 0.000 2.149 126 M HA -0.131 4.350 4.480 0.001 0.000 0.261 126 M C 2.505 178.790 176.300 -0.024 0.000 1.064 126 M CA 1.492 56.786 55.300 -0.010 0.000 1.102 126 M CB -0.661 31.905 32.600 -0.057 0.000 1.369 126 M HN 0.402 nan 8.290 nan 0.000 0.408 127 A N -0.164 122.639 122.820 -0.028 0.000 1.902 127 A HA -0.138 4.183 4.320 0.001 0.000 0.217 127 A C 2.213 179.781 177.584 -0.026 0.000 1.181 127 A CA 2.182 54.196 52.037 -0.038 0.000 0.623 127 A CB -1.072 17.900 19.000 -0.047 0.000 0.818 127 A HN 0.438 nan 8.150 nan 0.000 0.443 128 T N -0.310 114.243 114.554 -0.001 0.000 2.867 128 T HA -0.056 4.295 4.350 0.001 0.000 0.268 128 T C 1.657 176.366 174.700 0.015 0.000 1.057 128 T CA 1.679 63.792 62.100 0.022 0.000 1.136 128 T CB -0.346 68.550 68.868 0.047 0.000 0.874 128 T HN 0.622 nan 8.240 nan 0.000 0.466 129 V N -0.879 119.041 119.914 0.010 0.000 3.633 129 V HA 0.546 4.667 4.120 0.001 0.000 0.283 129 V C 1.337 177.432 176.094 0.001 0.000 1.305 129 V CA 0.108 62.414 62.300 0.011 0.000 1.153 129 V CB -1.047 30.788 31.823 0.020 0.000 0.950 129 V HN 0.468 nan 8.190 nan 0.000 0.432 130 G N 1.012 109.802 108.800 -0.015 0.000 2.273 130 G HA2 -0.335 3.625 3.960 0.001 0.000 0.280 130 G HA3 -0.335 3.625 3.960 0.001 0.000 0.280 130 G C 0.040 174.934 174.900 -0.010 0.000 1.047 130 G CA 0.694 45.778 45.100 -0.026 0.000 0.869 130 G HN 0.991 nan 8.290 nan 0.000 0.502 131 Q N 0.803 120.597 119.800 -0.011 0.000 2.361 131 Q HA 0.574 4.914 4.340 0.001 0.000 0.250 131 Q C 0.639 176.598 176.000 -0.069 0.000 1.023 131 Q CA 0.076 55.868 55.803 -0.017 0.000 0.915 131 Q CB 0.742 29.484 28.738 0.007 0.000 1.238 131 Q HN 0.412 nan 8.270 nan 0.000 0.451 132 S N 3.119 118.797 115.700 -0.038 0.000 2.575 132 S HA 0.461 4.931 4.470 0.001 0.000 0.295 132 S C -0.817 173.569 174.600 -0.357 0.000 1.267 132 S CA 0.549 58.733 58.200 -0.027 0.000 1.074 132 S CB -0.456 62.856 63.200 0.187 0.000 0.829 132 S HN 0.776 nan 8.310 nan 0.000 0.497 133 A N 4.316 126.883 122.820 -0.421 0.000 2.612 133 A HA 0.692 5.013 4.320 0.001 0.000 0.293 133 A C -0.698 176.686 177.584 -0.334 0.000 1.075 133 A CA -0.811 50.815 52.037 -0.685 0.000 0.680 133 A CB 1.641 20.402 19.000 -0.398 0.000 1.279 133 A HN 0.637 nan 8.150 nan 0.000 0.411 134 T N 0.920 115.324 114.554 -0.249 0.000 2.812 134 T HA 0.635 4.985 4.350 0.001 0.000 0.282 134 T C 0.306 174.851 174.700 -0.258 0.000 0.990 134 T CA 0.113 62.083 62.100 -0.217 0.000 0.960 134 T CB 1.662 70.376 68.868 -0.257 0.000 0.948 134 T HN 1.275 nan 8.240 nan 0.000 0.438 135 G N 1.477 110.112 108.800 -0.275 0.000 2.415 135 G HA2 0.524 4.485 3.960 0.001 0.000 0.269 135 G HA3 0.524 4.485 3.960 0.001 0.000 0.269 135 G C -1.438 173.230 174.900 -0.386 0.000 1.209 135 G CA -0.231 44.770 45.100 -0.165 0.000 0.835 135 G HN 0.631 nan 8.290 nan 0.000 0.534 136 Y N 1.000 121.391 120.300 0.150 0.000 2.332 136 Y HA 0.569 5.120 4.550 0.001 0.000 0.326 136 Y C 0.762 176.873 175.900 0.350 0.000 0.978 136 Y CA -0.248 57.952 58.100 0.167 0.000 1.205 136 Y CB 2.153 40.783 38.460 0.283 0.000 1.131 136 Y HN 0.818 nan 8.280 nan 0.000 0.462 137 G N 2.213 111.195 108.800 0.304 0.000 3.243 137 G HA2 0.760 4.720 3.960 0.001 0.000 0.248 137 G HA3 0.760 4.720 3.960 0.001 0.000 0.248 137 G C -1.661 173.384 174.900 0.242 0.000 1.267 137 G CA -0.961 44.386 45.100 0.411 0.000 0.906 137 G HN 0.381 nan 8.290 nan 0.000 0.592 138 L N 0.269 121.530 121.223 0.064 0.000 2.362 138 L HA 0.418 4.758 4.340 0.001 0.000 0.271 138 L C -0.169 176.479 176.870 -0.371 0.000 1.002 138 L CA -0.651 54.081 54.840 -0.179 0.000 0.818 138 L CB 2.349 44.130 42.059 -0.463 0.000 1.298 138 L HN 0.575 nan 8.230 nan 0.000 0.420 139 N N 2.137 120.742 118.700 -0.158 0.000 3.034 139 N HA 0.161 4.901 4.740 0.001 0.000 0.265 139 N C -1.141 174.360 175.510 -0.014 0.000 1.166 139 N CA -0.494 52.547 53.050 -0.015 0.000 1.081 139 N CB 0.216 38.697 38.487 -0.010 0.000 1.378 139 N HN 0.351 nan 8.380 nan 0.000 0.520 140 Y N 0.997 121.419 120.300 0.204 0.000 2.526 140 Y HA -0.062 4.489 4.550 0.001 0.000 0.330 140 Y C 1.781 177.808 175.900 0.212 0.000 1.156 140 Y CA 0.059 58.253 58.100 0.158 0.000 1.419 140 Y CB 0.712 39.246 38.460 0.124 0.000 1.250 140 Y HN 0.447 nan 8.280 nan 0.000 0.540 141 Q N 1.810 121.685 119.800 0.124 0.000 2.119 141 Q HA -0.160 4.181 4.340 0.001 0.000 0.201 141 Q C 0.046 175.890 176.000 -0.261 0.000 0.972 141 Q CA 1.638 57.271 55.803 -0.284 0.000 0.847 141 Q CB 0.085 28.417 28.738 -0.678 0.000 0.903 141 Q HN 0.875 nan 8.270 nan 0.000 0.433 142 Y N -1.341 119.125 120.300 0.277 0.000 2.675 142 Y HA 0.352 4.903 4.550 0.001 0.000 0.248 142 Y C 0.900 176.894 175.900 0.157 0.000 1.161 142 Y CA -0.016 58.212 58.100 0.214 0.000 1.203 142 Y CB 0.760 39.296 38.460 0.127 0.000 1.262 142 Y HN 0.247 nan 8.280 nan 0.000 0.544 143 G N 1.122 110.067 108.800 0.242 0.000 2.574 143 G HA2 -0.397 3.564 3.960 0.001 0.000 0.282 143 G HA3 -0.397 3.564 3.960 0.001 0.000 0.282 143 G C 0.781 175.616 174.900 -0.108 0.000 1.257 143 G CA 0.638 45.732 45.100 -0.010 0.000 0.956 143 G HN 0.313 nan 8.290 nan 0.000 0.560 144 L N -0.021 121.111 121.223 -0.152 0.000 2.013 144 L HA 0.572 4.913 4.340 0.001 0.000 0.204 144 L C 0.979 177.933 176.870 0.140 0.000 1.081 144 L CA 2.924 57.712 54.840 -0.087 0.000 0.751 144 L CB -0.250 41.686 42.059 -0.205 0.000 0.901 144 L HN 1.354 nan 8.230 nan 0.000 0.440 145 F N -3.102 116.847 119.950 -0.000 0.000 2.804 145 F HA 0.333 4.861 4.527 0.001 0.000 0.320 145 F C -0.646 175.154 175.800 -0.000 0.000 1.135 145 F CA -1.517 56.488 58.000 0.007 0.000 0.947 145 F CB 0.383 39.383 39.000 -0.001 0.000 1.260 145 F HN -0.128 nan 8.300 nan 0.000 0.447 146 R N 2.575 123.200 120.500 0.209 0.000 2.234 146 R HA 0.327 4.667 4.340 0.001 0.000 0.324 146 R C -0.720 175.726 176.300 0.243 0.000 1.054 146 R CA -0.362 55.807 56.100 0.115 0.000 0.912 146 R CB 1.095 31.439 30.300 0.074 0.000 1.030 146 R HN 0.893 nan 8.270 nan 0.000 0.455 147 Q N 3.000 122.879 119.800 0.133 0.000 2.256 147 Q HA 0.250 4.591 4.340 0.001 0.000 0.254 147 Q C -1.171 174.720 176.000 -0.181 0.000 0.916 147 Q CA -0.353 55.518 55.803 0.113 0.000 0.932 147 Q CB 1.287 30.076 28.738 0.085 0.000 1.207 147 Q HN 0.835 nan 8.270 nan 0.000 0.426 148 S N 2.430 117.982 115.700 -0.247 0.000 2.661 148 S HA 0.746 5.216 4.470 0.001 0.000 0.285 148 S C -1.151 173.222 174.600 -0.377 0.000 1.138 148 S CA -0.746 57.234 58.200 -0.367 0.000 0.855 148 S CB 1.052 64.167 63.200 -0.141 0.000 1.136 148 S HN 0.393 nan 8.310 nan 0.000 0.484 149 F N 0.141 120.060 119.950 -0.052 0.000 2.507 149 F HA 0.739 5.267 4.527 0.001 0.000 0.325 149 F C -0.558 175.215 175.800 -0.045 0.000 1.116 149 F CA -1.356 56.599 58.000 -0.075 0.000 0.930 149 F CB 2.170 41.104 39.000 -0.110 0.000 1.146 149 F HN 0.462 nan 8.300 nan 0.000 0.447 150 V N 2.995 123.006 119.914 0.162 0.000 2.488 150 V HA 0.286 4.406 4.120 0.001 0.000 0.293 150 V C -0.876 175.252 176.094 0.056 0.000 1.027 150 V CA -1.164 61.182 62.300 0.076 0.000 0.862 150 V CB 1.571 33.413 31.823 0.031 0.000 1.008 150 V HN 0.786 nan 8.190 nan 0.000 0.428 151 D N 4.232 124.670 120.400 0.064 0.000 2.772 151 D HA -0.201 4.440 4.640 0.001 0.000 0.233 151 D C 1.326 177.708 176.300 0.137 0.000 1.143 151 D CA 1.876 55.922 54.000 0.078 0.000 0.700 151 D CB -1.100 39.727 40.800 0.045 0.000 1.076 151 D HN 1.460 nan 8.370 nan 0.000 0.430 152 G N -0.936 107.925 108.800 0.102 0.000 2.225 152 G HA2 -0.351 3.610 3.960 0.001 0.000 0.254 152 G HA3 -0.351 3.610 3.960 0.001 0.000 0.254 152 G C 0.293 175.219 174.900 0.043 0.000 0.988 152 G CA 0.652 45.804 45.100 0.086 0.000 0.625 152 G HN 0.497 nan 8.290 nan 0.000 0.527 153 K N 0.804 121.220 120.400 0.028 0.000 2.110 153 K HA 0.483 4.804 4.320 0.001 0.000 0.263 153 K C 0.430 177.101 176.600 0.117 0.000 0.975 153 K CA -0.632 55.636 56.287 -0.033 0.000 0.895 153 K CB 1.424 33.805 32.500 -0.197 0.000 1.060 153 K HN 0.346 nan 8.250 nan 0.000 0.448 154 Q N 2.009 121.890 119.800 0.134 0.000 2.286 154 Q HA 0.056 4.397 4.340 0.001 0.000 0.290 154 Q C -1.030 174.982 176.000 0.021 0.000 1.049 154 Q CA -0.038 55.877 55.803 0.187 0.000 0.923 154 Q CB 0.588 29.402 28.738 0.128 0.000 1.183 154 Q HN 0.314 nan 8.270 nan 0.000 0.383 155 V N 4.274 124.181 119.914 -0.011 0.000 2.628 155 V HA 0.304 4.424 4.120 0.001 0.000 0.306 155 V C -0.916 175.091 176.094 -0.145 0.000 1.045 155 V CA -0.725 61.525 62.300 -0.084 0.000 0.905 155 V CB 2.008 33.803 31.823 -0.046 0.000 0.997 155 V HN 0.855 nan 8.190 nan 0.000 0.436 156 E N 2.775 122.830 120.200 -0.242 0.000 2.129 156 E HA 0.709 5.059 4.350 0.001 0.000 0.268 156 E C -0.334 176.216 176.600 -0.084 0.000 0.900 156 E CA -0.117 56.090 56.400 -0.322 0.000 0.755 156 E CB 1.804 31.078 29.700 -0.709 0.000 1.117 156 E HN 0.874 nan 8.360 nan 0.000 0.410 157 A N 3.954 126.803 122.820 0.049 0.000 2.350 157 A HA 0.768 5.089 4.320 0.001 0.000 0.318 157 A C -2.509 175.114 177.584 0.064 0.000 1.132 157 A CA -2.043 50.010 52.037 0.026 0.000 0.811 157 A CB 0.671 19.681 19.000 0.017 0.000 1.313 157 A HN 0.385 nan 8.150 nan 0.000 0.454 158 P HA 0.121 nan 4.420 nan 0.000 0.271 158 P C -0.964 176.406 177.300 0.117 0.000 1.220 158 P CA 0.184 63.267 63.100 -0.027 0.000 0.768 158 P CB 0.413 31.887 31.700 -0.376 0.000 0.848 159 D N 2.547 123.076 120.400 0.214 0.000 2.558 159 D HA 0.012 4.653 4.640 0.001 0.000 0.221 159 D C -0.445 176.050 176.300 0.326 0.000 1.143 159 D CA -0.018 54.100 54.000 0.197 0.000 1.010 159 D CB -0.604 40.263 40.800 0.112 0.000 1.068 159 D HN 0.167 nan 8.370 nan 0.000 0.511 160 D N 2.502 123.071 120.400 0.282 0.000 2.339 160 D HA -0.044 4.597 4.640 0.001 0.000 0.256 160 D C 0.731 177.040 176.300 0.014 0.000 1.214 160 D CA -0.413 53.715 54.000 0.213 0.000 0.877 160 D CB 0.330 41.222 40.800 0.154 0.000 1.111 160 D HN 0.492 nan 8.370 nan 0.000 0.478 161 W N 4.633 125.813 121.300 -0.200 0.000 2.846 161 W HA 0.168 4.829 4.660 0.001 0.000 0.391 161 W C -0.500 175.967 176.519 -0.087 0.000 1.011 161 W CA -0.368 56.866 57.345 -0.186 0.000 1.832 161 W CB -0.928 28.485 29.460 -0.079 0.000 1.151 161 W HN 0.433 nan 8.180 nan 0.000 0.582 162 H N 0.979 119.933 119.070 -0.194 0.000 2.819 162 H HA -0.218 4.339 4.556 0.001 0.000 0.315 162 H C 1.777 176.827 175.328 -0.464 0.000 1.242 162 H CA 1.295 57.218 56.048 -0.208 0.000 1.157 162 H CB -1.944 27.834 29.762 0.027 0.000 1.451 162 H HN 0.378 nan 8.280 nan 0.000 0.430 163 R N 1.113 121.003 120.500 -1.017 0.000 2.136 163 R HA -0.218 4.122 4.340 0.001 0.000 0.242 163 R C 2.126 178.122 176.300 -0.506 0.000 1.131 163 R CA 2.745 58.049 56.100 -1.328 0.000 0.937 163 R CB -0.158 29.422 30.300 -1.200 0.000 0.863 163 R HN 0.453 nan 8.270 nan 0.000 0.435 164 S N -0.502 114.944 115.700 -0.424 0.000 2.515 164 S HA 0.009 4.479 4.470 0.001 0.000 0.231 164 S C 1.143 175.727 174.600 -0.026 0.000 0.987 164 S CA 0.774 58.777 58.200 -0.328 0.000 0.936 164 S CB 0.021 63.051 63.200 -0.283 0.000 0.766 164 S HN 0.399 nan 8.310 nan 0.000 0.528 165 N N 0.100 118.829 118.700 0.048 0.000 2.214 165 N HA 0.150 4.890 4.740 0.001 0.000 0.214 165 N C -0.886 174.773 175.510 0.249 0.000 1.132 165 N CA -0.168 52.965 53.050 0.139 0.000 0.856 165 N CB 0.223 38.761 38.487 0.085 0.000 1.020 165 N HN 0.474 nan 8.380 nan 0.000 0.509 166 Y N 4.284 124.725 120.300 0.234 0.000 2.605 166 Y HA 0.109 4.659 4.550 0.001 0.000 0.336 166 Y C -1.232 174.828 175.900 0.266 0.000 1.111 166 Y CA -1.479 56.817 58.100 0.326 0.000 1.422 166 Y CB 0.974 39.643 38.460 0.348 0.000 1.193 166 Y HN 0.077 nan 8.280 nan 0.000 0.526 167 P HA -0.137 nan 4.420 nan 0.000 0.226 167 P C 0.534 177.536 177.300 -0.497 0.000 1.153 167 P CA 1.326 64.156 63.100 -0.449 0.000 0.777 167 P CB -0.000 31.239 31.700 -0.767 0.000 0.794 168 W N -1.441 119.668 121.300 -0.318 0.000 2.905 168 W HA 0.155 4.816 4.660 0.001 0.000 0.251 168 W C 0.760 177.343 176.519 0.106 0.000 1.305 168 W CA -0.545 56.747 57.345 -0.088 0.000 1.465 168 W CB -0.562 28.863 29.460 -0.059 0.000 1.122 168 W HN -0.250 nan 8.180 nan 0.000 0.659 169 F N 1.693 121.890 119.950 0.413 0.000 2.506 169 F HA 0.184 4.712 4.527 0.001 0.000 0.351 169 F C 1.063 176.995 175.800 0.221 0.000 1.136 169 F CA -0.328 57.916 58.000 0.408 0.000 1.298 169 F CB 0.374 39.726 39.000 0.587 0.000 1.145 169 F HN -0.309 nan 8.300 nan 0.000 0.593 170 R N 1.282 122.016 120.500 0.390 0.000 2.637 170 R HA 0.355 4.696 4.340 0.001 0.000 0.291 170 R C -1.473 174.753 176.300 -0.122 0.000 0.963 170 R CA -1.039 55.121 56.100 0.100 0.000 0.901 170 R CB 1.855 32.175 30.300 0.034 0.000 1.160 170 R HN 0.561 nan 8.270 nan 0.000 0.457 171 H N 1.584 120.375 119.070 -0.465 0.000 2.708 171 H HA 0.227 4.784 4.556 0.001 0.000 0.320 171 H C -1.192 173.882 175.328 -0.422 0.000 0.991 171 H CA -0.863 54.732 56.048 -0.756 0.000 1.243 171 H CB 0.754 29.556 29.762 -1.600 0.000 1.446 171 H HN 0.387 nan 8.280 nan 0.000 0.502 172 N N 3.685 122.035 118.700 -0.584 0.000 2.462 172 N HA 0.020 4.761 4.740 0.001 0.000 0.242 172 N C 0.846 176.023 175.510 -0.555 0.000 1.010 172 N CA -0.194 52.552 53.050 -0.506 0.000 0.939 172 N CB 0.676 39.015 38.487 -0.246 0.000 1.127 172 N HN 0.917 nan 8.380 nan 0.000 0.509 173 E N 2.711 122.522 120.200 -0.649 0.000 2.265 173 E HA -0.150 4.201 4.350 0.001 0.000 0.196 173 E C 1.207 177.737 176.600 -0.117 0.000 0.996 173 E CA 1.032 57.233 56.400 -0.332 0.000 0.832 173 E CB -0.094 29.476 29.700 -0.216 0.000 0.756 173 E HN 0.517 nan 8.360 nan 0.000 0.491 174 A N 1.508 124.253 122.820 -0.126 0.000 2.125 174 A HA -0.039 4.281 4.320 0.001 0.000 0.219 174 A C 2.052 179.628 177.584 -0.014 0.000 1.156 174 A CA 0.753 52.753 52.037 -0.062 0.000 0.671 174 A CB -0.467 18.492 19.000 -0.067 0.000 0.794 174 A HN 0.316 nan 8.150 nan 0.000 0.459 175 L N -0.100 121.125 121.223 0.003 0.000 2.611 175 L HA 0.090 4.430 4.340 0.001 0.000 0.229 175 L C -0.379 176.610 176.870 0.197 0.000 1.137 175 L CA -0.553 54.347 54.840 0.099 0.000 0.901 175 L CB -0.457 41.659 42.059 0.095 0.000 1.098 175 L HN 0.134 nan 8.230 nan 0.000 0.456 176 D N 0.773 121.264 120.400 0.151 0.000 2.419 176 D HA 0.149 4.789 4.640 0.001 0.000 0.236 176 D C -0.110 176.241 176.300 0.085 0.000 1.165 176 D CA 0.554 54.655 54.000 0.168 0.000 0.882 176 D CB 1.635 42.504 40.800 0.114 0.000 1.201 176 D HN -0.243 nan 8.370 nan 0.000 0.443 177 V N 2.514 122.444 119.914 0.026 0.000 2.577 177 V HA 0.145 4.266 4.120 0.001 0.000 0.303 177 V C -0.200 175.846 176.094 -0.080 0.000 1.042 177 V CA -0.970 61.276 62.300 -0.089 0.000 0.872 177 V CB 1.903 33.555 31.823 -0.285 0.000 0.998 177 V HN 0.315 nan 8.190 nan 0.000 0.423 178 Q N 3.057 122.811 119.800 -0.078 0.000 2.288 178 Q HA 0.493 4.834 4.340 0.001 0.000 0.258 178 Q C -0.718 175.241 176.000 -0.069 0.000 0.957 178 Q CA -0.153 55.602 55.803 -0.080 0.000 0.919 178 Q CB 2.079 30.763 28.738 -0.090 0.000 1.185 178 Q HN 0.541 nan 8.270 nan 0.000 0.408 179 V N 2.007 121.902 119.914 -0.031 0.000 2.407 179 V HA 0.510 4.631 4.120 0.001 0.000 0.291 179 V C 0.450 176.598 176.094 0.090 0.000 1.018 179 V CA -0.826 61.500 62.300 0.043 0.000 0.842 179 V CB 1.771 33.640 31.823 0.077 0.000 0.996 179 V HN 0.845 nan 8.190 nan 0.000 0.426 180 G N 3.708 112.554 108.800 0.077 0.000 2.476 180 G HA2 0.733 4.694 3.960 0.001 0.000 0.286 180 G HA3 0.733 4.694 3.960 0.001 0.000 0.286 180 G C -1.002 174.066 174.900 0.281 0.000 1.177 180 G CA -0.316 44.766 45.100 -0.032 0.000 0.870 180 G HN 0.649 nan 8.290 nan 0.000 0.528 181 I N -0.570 120.160 120.570 0.267 0.000 2.913 181 I HA 0.595 4.765 4.170 0.001 0.000 0.302 181 I C 0.622 176.945 176.117 0.344 0.000 1.246 181 I CA 0.584 62.129 61.300 0.408 0.000 1.010 181 I CB 1.936 40.171 38.000 0.390 0.000 1.259 181 I HN 1.266 nan 8.210 nan 0.000 0.434 182 G N 3.586 112.587 108.800 0.335 0.000 2.562 182 G HA2 0.273 4.234 3.960 0.001 0.000 0.250 182 G HA3 0.273 4.234 3.960 0.001 0.000 0.250 182 G C 0.545 175.650 174.900 0.342 0.000 1.269 182 G CA -0.090 45.165 45.100 0.258 0.000 0.919 182 G HN 2.229 nan 8.290 nan 0.000 0.574 183 G N -0.921 108.016 108.800 0.228 0.000 2.512 183 G HA2 0.359 4.320 3.960 0.001 0.000 0.240 183 G HA3 0.359 4.320 3.960 0.001 0.000 0.240 183 G C -0.024 175.014 174.900 0.229 0.000 1.246 183 G CA 1.590 46.815 45.100 0.208 0.000 0.919 183 G HN 2.493 nan 8.290 nan 0.000 0.577 184 K N -1.986 118.569 120.400 0.259 0.000 2.536 184 K HA 0.752 5.073 4.320 0.001 0.000 0.269 184 K C -1.080 175.692 176.600 0.286 0.000 0.965 184 K CA -1.122 55.293 56.287 0.215 0.000 0.860 184 K CB 2.250 34.829 32.500 0.132 0.000 1.423 184 K HN 0.809 nan 8.250 nan 0.000 0.438 185 V N 1.955 121.983 119.914 0.191 0.000 2.427 185 V HA 0.288 4.409 4.120 0.001 0.000 0.286 185 V C 0.492 176.653 176.094 0.112 0.000 1.034 185 V CA -0.531 61.869 62.300 0.167 0.000 0.893 185 V CB 1.160 33.039 31.823 0.094 0.000 0.982 185 V HN 1.026 nan 8.190 nan 0.000 0.452 186 T N 2.102 116.719 114.554 0.105 0.000 2.698 186 T HA 0.193 4.544 4.350 0.001 0.000 0.295 186 T C 1.100 175.835 174.700 0.059 0.000 1.007 186 T CA -0.433 61.712 62.100 0.074 0.000 0.980 186 T CB 0.640 69.547 68.868 0.066 0.000 1.036 186 T HN 0.499 nan 8.240 nan 0.000 0.526 187 K N 0.838 121.266 120.400 0.047 0.000 2.148 187 K HA -0.076 4.245 4.320 0.001 0.000 0.204 187 K C 1.672 178.295 176.600 0.037 0.000 1.050 187 K CA 1.415 57.725 56.287 0.038 0.000 0.942 187 K CB -0.443 32.076 32.500 0.031 0.000 0.724 187 K HN 0.848 nan 8.250 nan 0.000 0.446 188 D N -1.049 119.375 120.400 0.040 0.000 2.339 188 D HA 0.035 4.675 4.640 0.001 0.000 0.217 188 D C 0.910 177.239 176.300 0.048 0.000 1.050 188 D CA 0.675 54.699 54.000 0.040 0.000 0.856 188 D CB 0.148 40.969 40.800 0.036 0.000 0.922 188 D HN 0.215 nan 8.370 nan 0.000 0.518 189 G N 0.629 109.463 108.800 0.057 0.000 2.138 189 G HA2 -0.242 3.719 3.960 0.001 0.000 0.193 189 G HA3 -0.242 3.719 3.960 0.001 0.000 0.193 189 G C -0.080 174.874 174.900 0.089 0.000 0.998 189 G CA -0.551 44.588 45.100 0.065 0.000 0.668 189 G HN 0.369 nan 8.290 nan 0.000 0.516 190 R N -0.814 119.747 120.500 0.100 0.000 2.265 190 R HA 0.399 4.739 4.340 0.001 0.000 0.319 190 R C -0.272 176.153 176.300 0.208 0.000 1.006 190 R CA -0.849 55.328 56.100 0.128 0.000 0.880 190 R CB 0.928 31.280 30.300 0.086 0.000 1.077 190 R HN 0.186 nan 8.270 nan 0.000 0.454 191 W N 4.256 125.567 121.300 0.018 0.000 2.388 191 W HA 0.090 4.751 4.660 0.001 0.000 0.308 191 W C -0.622 175.916 176.519 0.031 0.000 1.263 191 W CA -0.771 56.589 57.345 0.025 0.000 1.286 191 W CB 0.549 30.022 29.460 0.021 0.000 1.294 191 W HN 0.495 nan 8.180 nan 0.000 0.493 192 E N 8.208 128.453 120.200 0.075 0.000 2.121 192 E HA 0.217 4.568 4.350 0.001 0.000 0.255 192 E C -2.167 174.313 176.600 -0.200 0.000 0.906 192 E CA -1.809 54.529 56.400 -0.104 0.000 0.745 192 E CB 1.040 30.746 29.700 0.010 0.000 1.155 192 E HN 0.121 nan 8.360 nan 0.000 0.424 193 P HA -0.052 nan 4.420 nan 0.000 0.272 193 P C 0.381 177.639 177.300 -0.070 0.000 1.230 193 P CA 0.027 62.926 63.100 -0.335 0.000 0.788 193 P CB 0.671 32.048 31.700 -0.538 0.000 0.949 194 E N 0.623 120.865 120.200 0.070 0.000 2.415 194 E HA 0.100 4.450 4.350 0.001 0.000 0.197 194 E C -0.367 176.366 176.600 0.223 0.000 1.007 194 E CA 0.183 56.658 56.400 0.124 0.000 0.890 194 E CB 0.105 29.890 29.700 0.141 0.000 0.891 194 E HN 0.309 nan 8.360 nan 0.000 0.496 195 F N 0.988 120.958 119.950 0.033 0.000 2.591 195 F HA 0.428 4.956 4.527 0.001 0.000 0.309 195 F C -1.427 174.407 175.800 0.057 0.000 1.098 195 F CA -0.614 57.434 58.000 0.080 0.000 0.937 195 F CB 2.611 41.671 39.000 0.100 0.000 1.250 195 F HN -0.291 nan 8.300 nan 0.000 0.447 196 T N 6.815 121.050 114.554 -0.532 0.000 2.847 196 T HA 0.567 4.917 4.350 0.001 0.000 0.291 196 T C -0.471 173.844 174.700 -0.642 0.000 0.998 196 T CA -0.298 61.548 62.100 -0.423 0.000 0.967 196 T CB 0.793 69.481 68.868 -0.301 0.000 0.954 196 T HN 0.362 nan 8.240 nan 0.000 0.441 197 I N 2.689 123.087 120.570 -0.286 0.000 2.396 197 I HA 0.274 4.444 4.170 0.001 0.000 0.292 197 I C 0.640 176.687 176.117 -0.117 0.000 0.999 197 I CA -0.380 60.813 61.300 -0.179 0.000 1.310 197 I CB 1.413 39.444 38.000 0.051 0.000 1.404 197 I HN 0.463 nan 8.210 nan 0.000 0.496 198 T N 5.212 119.686 114.554 -0.134 0.000 2.762 198 T HA 0.341 4.692 4.350 0.001 0.000 0.303 198 T C 0.408 175.201 174.700 0.155 0.000 0.977 198 T CA -0.594 61.495 62.100 -0.018 0.000 0.961 198 T CB 0.587 69.415 68.868 -0.067 0.000 0.944 198 T HN 0.789 nan 8.240 nan 0.000 0.481 199 G N 2.944 111.903 108.800 0.265 0.000 2.370 199 G HA2 0.424 4.384 3.960 0.001 0.000 0.272 199 G HA3 0.424 4.384 3.960 0.001 0.000 0.272 199 G C -0.509 174.630 174.900 0.397 0.000 1.208 199 G CA -0.492 44.877 45.100 0.449 0.000 0.856 199 G HN 0.617 nan 8.290 nan 0.000 0.500 200 Q N 0.280 120.367 119.800 0.479 0.000 2.316 200 Q HA 0.527 4.868 4.340 0.001 0.000 0.264 200 Q C -0.231 175.994 176.000 0.375 0.000 0.987 200 Q CA -0.724 55.280 55.803 0.336 0.000 0.852 200 Q CB 2.369 31.200 28.738 0.154 0.000 1.287 200 Q HN 0.662 nan 8.270 nan 0.000 0.448 201 A N 2.955 125.866 122.820 0.151 0.000 2.310 201 A HA 0.305 4.626 4.320 0.001 0.000 0.300 201 A C -1.431 175.973 177.584 -0.300 0.000 1.269 201 A CA -0.278 51.604 52.037 -0.260 0.000 0.909 201 A CB -0.068 18.716 19.000 -0.359 0.000 1.144 201 A HN 0.670 nan 8.150 nan 0.000 0.540 202 W N 2.380 123.532 121.300 -0.247 0.000 2.278 202 W HA 0.387 5.048 4.660 0.001 0.000 0.317 202 W C -0.785 175.766 176.519 0.053 0.000 1.030 202 W CA -0.255 56.944 57.345 -0.242 0.000 1.334 202 W CB 1.271 30.334 29.460 -0.663 0.000 1.215 202 W HN 0.545 nan 8.180 nan 0.000 0.405 203 D N 3.759 124.324 120.400 0.275 0.000 2.198 203 D HA 0.430 5.071 4.640 0.001 0.000 0.245 203 D C -0.376 176.158 176.300 0.390 0.000 1.079 203 D CA -0.290 53.841 54.000 0.219 0.000 0.854 203 D CB 1.713 42.540 40.800 0.045 0.000 1.148 203 D HN 0.161 nan 8.370 nan 0.000 0.456 204 L N 3.547 124.895 121.223 0.207 0.000 2.334 204 L HA 0.431 4.771 4.340 0.001 0.000 0.276 204 L C -2.288 174.599 176.870 0.028 0.000 1.014 204 L CA -1.928 52.978 54.840 0.111 0.000 0.815 204 L CB 2.316 44.367 42.059 -0.013 0.000 1.268 204 L HN 0.089 nan 8.230 nan 0.000 0.428 205 P HA 0.166 nan 4.420 nan 0.000 0.290 205 P C -0.862 176.377 177.300 -0.102 0.000 1.276 205 P CA -0.366 62.726 63.100 -0.014 0.000 0.808 205 P CB 1.732 33.460 31.700 0.046 0.000 0.966 206 V N 4.764 124.620 119.914 -0.096 0.000 2.304 206 V HA 0.123 4.244 4.120 0.001 0.000 0.269 206 V C 0.483 176.513 176.094 -0.107 0.000 1.036 206 V CA -0.645 61.588 62.300 -0.111 0.000 0.840 206 V CB 1.299 33.068 31.823 -0.090 0.000 1.036 206 V HN 0.277 nan 8.190 nan 0.000 0.466 207 V N 4.586 124.415 119.914 -0.141 0.000 2.461 207 V HA 0.502 4.623 4.120 0.001 0.000 0.275 207 V C 1.134 177.164 176.094 -0.107 0.000 1.047 207 V CA -0.178 62.036 62.300 -0.144 0.000 0.955 207 V CB 1.248 32.949 31.823 -0.204 0.000 0.988 207 V HN 0.872 nan 8.190 nan 0.000 0.471 208 G N 2.687 111.430 108.800 -0.095 0.000 2.503 208 G HA2 0.258 4.218 3.960 0.001 0.000 0.257 208 G HA3 0.258 4.218 3.960 0.001 0.000 0.257 208 G C -0.764 174.112 174.900 -0.041 0.000 1.214 208 G CA -0.323 44.745 45.100 -0.054 0.000 0.839 208 G HN 0.687 nan 8.290 nan 0.000 0.559 209 Y N 2.522 122.755 120.300 -0.113 0.000 2.637 209 Y HA 0.195 4.746 4.550 0.001 0.000 0.350 209 Y C 1.285 177.116 175.900 -0.115 0.000 1.069 209 Y CA -0.294 57.733 58.100 -0.122 0.000 1.397 209 Y CB 0.149 38.536 38.460 -0.120 0.000 1.163 209 Y HN 0.642 nan 8.280 nan 0.000 0.527 210 R N 2.718 122.877 120.500 -0.568 0.000 3.741 210 R HA -0.270 4.071 4.340 0.001 0.000 0.292 210 R C -0.124 176.027 176.300 -0.247 0.000 1.176 210 R CA 1.131 56.929 56.100 -0.503 0.000 0.794 210 R CB -2.475 27.364 30.300 -0.768 0.000 1.213 210 R HN 0.870 nan 8.270 nan 0.000 0.494 211 N N -1.914 116.680 118.700 -0.175 0.000 2.143 211 N HA 0.131 4.871 4.740 0.001 0.000 0.222 211 N C 1.018 176.453 175.510 -0.125 0.000 1.264 211 N CA 0.626 53.603 53.050 -0.121 0.000 0.897 211 N CB 0.490 38.925 38.487 -0.086 0.000 1.092 211 N HN 0.295 nan 8.380 nan 0.000 0.516 212 G N 0.020 108.735 108.800 -0.143 0.000 2.168 212 G HA2 -0.270 3.691 3.960 0.001 0.000 0.263 212 G HA3 -0.270 3.691 3.960 0.001 0.000 0.263 212 G C -0.270 174.537 174.900 -0.155 0.000 0.977 212 G CA 0.504 45.523 45.100 -0.135 0.000 0.659 212 G HN 0.315 nan 8.290 nan 0.000 0.533 213 V N 0.616 120.436 119.914 -0.155 0.000 2.614 213 V HA 0.623 4.743 4.120 0.001 0.000 0.291 213 V C 0.678 176.702 176.094 -0.116 0.000 1.049 213 V CA 0.497 62.701 62.300 -0.160 0.000 1.038 213 V CB 1.448 33.192 31.823 -0.132 0.000 0.980 213 V HN 1.400 nan 8.190 nan 0.000 0.481 214 A N 5.834 128.603 122.820 -0.086 0.000 2.446 214 A HA 0.716 5.037 4.320 0.001 0.000 0.282 214 A C -0.585 176.998 177.584 -0.002 0.000 1.102 214 A CA -0.731 51.279 52.037 -0.045 0.000 0.737 214 A CB 1.143 20.132 19.000 -0.017 0.000 1.212 214 A HN 0.829 nan 8.150 nan 0.000 0.434 215 Q N 2.362 122.150 119.800 -0.019 0.000 2.433 215 Q HA 0.758 5.098 4.340 0.001 0.000 0.279 215 Q C -2.926 173.050 176.000 -0.039 0.000 1.105 215 Q CA -2.438 53.366 55.803 0.001 0.000 0.815 215 Q CB 2.609 31.352 28.738 0.007 0.000 1.403 215 Q HN 0.409 nan 8.270 nan 0.000 0.435 216 P HA 0.141 nan 4.420 nan 0.000 0.279 216 P C -1.122 176.068 177.300 -0.183 0.000 1.239 216 P CA -0.543 62.498 63.100 -0.099 0.000 0.789 216 P CB 0.789 32.428 31.700 -0.101 0.000 0.933 217 L N 3.662 124.765 121.223 -0.199 0.000 2.265 217 L HA 0.438 4.779 4.340 0.001 0.000 0.289 217 L C 0.203 176.896 176.870 -0.295 0.000 1.033 217 L CA -0.522 54.119 54.840 -0.332 0.000 0.814 217 L CB 0.266 42.119 42.059 -0.342 0.000 1.203 217 L HN 0.322 nan 8.230 nan 0.000 0.423 218 R N 5.626 125.876 120.500 -0.417 0.000 2.246 218 R HA 0.548 4.889 4.340 0.001 0.000 0.332 218 R C -1.521 174.514 176.300 -0.441 0.000 0.974 218 R CA -0.452 55.389 56.100 -0.431 0.000 0.837 218 R CB 0.477 30.438 30.300 -0.565 0.000 1.145 218 R HN 0.741 nan 8.270 nan 0.000 0.467 219 L N 5.674 126.737 121.223 -0.266 0.000 2.264 219 L HA 0.390 4.731 4.340 0.001 0.000 0.287 219 L C -0.570 176.241 176.870 -0.099 0.000 1.039 219 L CA -0.787 53.990 54.840 -0.105 0.000 0.829 219 L CB 0.764 42.896 42.059 0.122 0.000 1.211 219 L HN 0.544 nan 8.230 nan 0.000 0.427 220 W N 3.036 124.409 121.300 0.123 0.000 2.210 220 W HA 0.276 4.937 4.660 0.001 0.000 0.330 220 W C 0.474 177.149 176.519 0.260 0.000 1.334 220 W CA -0.070 57.363 57.345 0.146 0.000 1.227 220 W CB 0.406 29.803 29.460 -0.106 0.000 1.178 220 W HN 0.447 nan 8.180 nan 0.000 0.560 221 Q N 2.375 122.509 119.800 0.557 0.000 2.330 221 Q HA 0.623 4.963 4.340 0.001 0.000 0.269 221 Q C -0.754 175.460 176.000 0.358 0.000 1.022 221 Q CA -0.728 55.258 55.803 0.304 0.000 0.796 221 Q CB 1.565 30.306 28.738 0.006 0.000 1.271 221 Q HN 0.596 nan 8.270 nan 0.000 0.450 222 A N 2.734 125.583 122.820 0.048 0.000 2.328 222 A HA 0.640 4.961 4.320 0.001 0.000 0.284 222 A C -0.169 177.379 177.584 -0.060 0.000 1.160 222 A CA -0.029 51.871 52.037 -0.229 0.000 0.818 222 A CB 0.573 19.143 19.000 -0.716 0.000 1.087 222 A HN 0.770 nan 8.150 nan 0.000 0.504 223 T N -0.457 114.096 114.554 -0.001 0.000 2.887 223 T HA 0.611 4.962 4.350 0.001 0.000 0.292 223 T C -0.747 173.973 174.700 0.033 0.000 1.087 223 T CA -0.659 61.461 62.100 0.034 0.000 1.009 223 T CB 1.479 70.375 68.868 0.047 0.000 1.203 223 T HN 0.694 nan 8.240 nan 0.000 0.518 224 H N -0.533 118.539 119.070 0.003 0.000 2.569 224 H HA 0.661 5.218 4.556 0.001 0.000 0.357 224 H C 0.956 176.242 175.328 -0.069 0.000 1.153 224 H CA -0.094 55.932 56.048 -0.037 0.000 1.193 224 H CB 2.179 31.949 29.762 0.013 0.000 1.602 224 H HN 0.866 nan 8.280 nan 0.000 0.523 225 A N 3.339 126.059 122.820 -0.167 0.000 2.015 225 A HA -0.091 4.230 4.320 0.001 0.000 0.219 225 A C 0.382 177.749 177.584 -0.362 0.000 1.163 225 A CA 1.017 52.911 52.037 -0.239 0.000 0.646 225 A CB 0.020 18.807 19.000 -0.355 0.000 0.806 225 A HN 0.654 nan 8.150 nan 0.000 0.448 226 H N -1.059 118.253 119.070 0.404 0.000 2.379 226 H HA 0.205 4.761 4.556 0.001 0.000 0.229 226 H C -2.114 173.278 175.328 0.106 0.000 1.423 226 H CA -1.478 54.693 56.048 0.204 0.000 1.375 226 H CB 0.522 30.364 29.762 0.133 0.000 1.592 226 H HN 0.366 nan 8.280 nan 0.000 0.507 227 P HA -0.090 nan 4.420 nan 0.000 0.226 227 P C 0.164 177.593 177.300 0.214 0.000 1.153 227 P CA 0.642 63.845 63.100 0.171 0.000 0.777 227 P CB 0.387 32.191 31.700 0.174 0.000 0.794 228 F N 0.857 120.848 119.950 0.069 0.000 2.529 228 F HA 0.487 5.015 4.527 0.001 0.000 0.320 228 F C -1.042 174.797 175.800 0.065 0.000 1.118 228 F CA -1.284 56.753 58.000 0.062 0.000 0.915 228 F CB 1.594 40.613 39.000 0.031 0.000 1.161 228 F HN -0.377 nan 8.300 nan 0.000 0.445 229 D N 6.275 126.380 120.400 -0.493 0.000 2.427 229 D HA 0.118 4.759 4.640 0.001 0.000 0.226 229 D C 0.545 176.485 176.300 -0.600 0.000 1.076 229 D CA -0.238 53.544 54.000 -0.363 0.000 0.849 229 D CB 1.551 42.237 40.800 -0.191 0.000 1.052 229 D HN 0.732 nan 8.370 nan 0.000 0.515 230 L N 3.964 124.966 121.223 -0.369 0.000 2.217 230 L HA -0.049 4.292 4.340 0.001 0.000 0.211 230 L C 1.821 178.676 176.870 -0.026 0.000 1.107 230 L CA 1.656 56.391 54.840 -0.175 0.000 0.783 230 L CB -0.385 41.722 42.059 0.080 0.000 0.919 230 L HN 0.360 nan 8.230 nan 0.000 0.442 231 T N -0.280 114.245 114.554 -0.048 0.000 2.708 231 T HA -0.189 4.162 4.350 0.001 0.000 0.266 231 T C 1.837 176.516 174.700 -0.033 0.000 1.037 231 T CA 1.839 63.926 62.100 -0.021 0.000 1.146 231 T CB -0.141 68.707 68.868 -0.033 0.000 0.865 231 T HN 0.365 nan 8.240 nan 0.000 0.435 232 K N 0.300 120.655 120.400 -0.076 0.000 2.097 232 K HA -0.056 4.264 4.320 0.001 0.000 0.206 232 K C 2.006 178.561 176.600 -0.074 0.000 1.049 232 K CA 1.200 57.434 56.287 -0.089 0.000 0.933 232 K CB -0.374 32.067 32.500 -0.098 0.000 0.717 232 K HN 0.254 nan 8.250 nan 0.000 0.442 233 F N 2.484 122.337 119.950 -0.161 0.000 2.134 233 F HA -0.179 4.348 4.527 0.001 0.000 0.299 233 F C 1.804 177.648 175.800 0.073 0.000 1.097 233 F CA 1.404 59.413 58.000 0.015 0.000 1.264 233 F CB -0.045 39.017 39.000 0.105 0.000 1.001 233 F HN 0.020 nan 8.300 nan 0.000 0.479 234 N N 0.151 118.973 118.700 0.203 0.000 2.457 234 N HA -0.096 4.645 4.740 0.001 0.000 0.180 234 N C 0.720 176.228 175.510 -0.004 0.000 1.050 234 N CA 0.883 54.022 53.050 0.148 0.000 0.906 234 N CB -0.351 38.233 38.487 0.161 0.000 0.968 234 N HN 0.322 nan 8.380 nan 0.000 0.445 235 D N -0.466 119.887 120.400 -0.078 0.000 2.328 235 D HA 0.143 4.784 4.640 0.001 0.000 0.226 235 D C 1.138 177.282 176.300 -0.261 0.000 1.066 235 D CA 0.246 54.168 54.000 -0.129 0.000 0.861 235 D CB -0.034 40.700 40.800 -0.110 0.000 0.912 235 D HN 0.281 nan 8.370 nan 0.000 0.521 236 G N 1.079 109.609 108.800 -0.450 0.000 2.159 236 G HA2 -0.242 3.718 3.960 0.001 0.000 0.256 236 G HA3 -0.242 3.718 3.960 0.001 0.000 0.256 236 G C 0.055 174.239 174.900 -1.193 0.000 0.977 236 G CA -0.217 44.322 45.100 -0.936 0.000 0.652 236 G HN 0.289 nan 8.290 nan 0.000 0.531 237 D N 0.319 120.289 120.400 -0.716 0.000 2.563 237 D HA 0.387 5.028 4.640 0.001 0.000 0.222 237 D C 1.177 177.283 176.300 -0.324 0.000 1.145 237 D CA -0.432 53.295 54.000 -0.454 0.000 1.001 237 D CB -0.182 40.479 40.800 -0.231 0.000 1.049 237 D HN 0.161 nan 8.370 nan 0.000 0.515 238 F N 0.557 120.441 119.950 -0.111 0.000 2.259 238 F HA -0.083 4.445 4.527 0.001 0.000 0.298 238 F C 2.014 177.885 175.800 0.118 0.000 1.088 238 F CA 0.053 58.034 58.000 -0.032 0.000 1.358 238 F CB -0.403 38.553 39.000 -0.074 0.000 1.040 238 F HN 0.271 nan 8.300 nan 0.000 0.505 239 L N 0.431 121.780 121.223 0.211 0.000 1.988 239 L HA -0.068 4.272 4.340 0.001 0.000 0.207 239 L C 2.485 179.425 176.870 0.116 0.000 1.071 239 L CA 1.723 56.658 54.840 0.159 0.000 0.744 239 L CB -0.565 41.553 42.059 0.098 0.000 0.893 239 L HN -0.061 nan 8.230 nan 0.000 0.433 240 R N -0.669 119.862 120.500 0.051 0.000 2.193 240 R HA -0.074 4.266 4.340 0.001 0.000 0.229 240 R C 2.072 178.382 176.300 0.017 0.000 1.110 240 R CA 0.927 57.038 56.100 0.018 0.000 0.988 240 R CB -0.506 29.780 30.300 -0.023 0.000 0.871 240 R HN 0.502 nan 8.270 nan 0.000 0.458 241 A N 1.135 123.978 122.820 0.039 0.000 2.070 241 A HA -0.133 4.188 4.320 0.001 0.000 0.220 241 A C 1.468 179.068 177.584 0.027 0.000 1.159 241 A CA 1.197 53.217 52.037 -0.028 0.000 0.656 241 A CB -0.011 19.005 19.000 0.026 0.000 0.800 241 A HN 0.165 nan 8.150 nan 0.000 0.453 242 E N -0.908 119.385 120.200 0.155 0.000 2.474 242 E HA -0.031 4.320 4.350 0.001 0.000 0.195 242 E C 1.708 178.378 176.600 0.117 0.000 1.039 242 E CA 0.385 56.901 56.400 0.193 0.000 0.881 242 E CB 0.048 29.883 29.700 0.225 0.000 0.970 242 E HN 0.768 nan 8.360 nan 0.000 0.486 243 Q N 1.723 121.565 119.800 0.070 0.000 2.077 243 Q HA -0.256 4.084 4.340 0.001 0.000 0.206 243 Q C 2.157 178.188 176.000 0.052 0.000 0.989 243 Q CA 2.169 58.000 55.803 0.046 0.000 0.853 243 Q CB -0.079 28.669 28.738 0.017 0.000 0.907 243 Q HN 0.269 nan 8.270 nan 0.000 0.418 244 Q N -1.272 118.556 119.800 0.048 0.000 2.084 244 Q HA -0.119 4.222 4.340 0.001 0.000 0.202 244 Q C 1.912 177.988 176.000 0.126 0.000 0.978 244 Q CA 1.766 57.602 55.803 0.057 0.000 0.844 244 Q CB -0.633 28.052 28.738 -0.090 0.000 0.898 244 Q HN 0.542 nan 8.270 nan 0.000 0.426 245 G N 0.603 109.475 108.800 0.121 0.000 2.418 245 G HA2 -0.222 3.738 3.960 0.001 0.000 0.217 245 G HA3 -0.222 3.738 3.960 0.001 0.000 0.217 245 G C 1.373 176.365 174.900 0.152 0.000 1.158 245 G CA 0.849 46.050 45.100 0.169 0.000 0.771 245 G HN 0.383 nan 8.290 nan 0.000 0.545 246 I N 1.004 121.645 120.570 0.118 0.000 2.286 246 I HA -0.162 4.009 4.170 0.001 0.000 0.248 246 I C 2.353 178.514 176.117 0.073 0.000 1.115 246 I CA 0.704 62.058 61.300 0.090 0.000 1.392 246 I CB -0.159 37.887 38.000 0.078 0.000 1.065 246 I HN 0.061 nan 8.210 nan 0.000 0.418 247 N N 0.939 119.678 118.700 0.064 0.000 2.289 247 N HA -0.114 4.627 4.740 0.001 0.000 0.184 247 N C 1.765 177.317 175.510 0.069 0.000 1.016 247 N CA 1.470 54.501 53.050 -0.032 0.000 0.872 247 N CB -0.205 38.127 38.487 -0.259 0.000 0.973 247 N HN 0.384 nan 8.380 nan 0.000 0.433 248 A N 0.991 123.981 122.820 0.284 0.000 1.878 248 A HA 0.001 4.321 4.320 0.001 0.000 0.213 248 A C 1.981 179.594 177.584 0.048 0.000 1.192 248 A CA 0.840 53.033 52.037 0.261 0.000 0.619 248 A CB -0.317 18.879 19.000 0.327 0.000 0.837 248 A HN 0.232 nan 8.150 nan 0.000 0.446 249 E N 0.367 120.602 120.200 0.057 0.000 2.274 249 E HA -0.171 4.180 4.350 0.001 0.000 0.194 249 E C 1.826 178.432 176.600 0.010 0.000 0.996 249 E CA 1.116 57.522 56.400 0.009 0.000 0.840 249 E CB -0.136 29.583 29.700 0.033 0.000 0.772 249 E HN 0.805 nan 8.360 nan 0.000 0.491 250 K N 1.112 121.529 120.400 0.029 0.000 2.280 250 K HA -0.139 4.181 4.320 0.001 0.000 0.202 250 K C 1.779 178.404 176.600 0.040 0.000 1.047 250 K CA 1.053 57.368 56.287 0.046 0.000 0.942 250 K CB -0.231 32.291 32.500 0.036 0.000 0.739 250 K HN 0.158 nan 8.250 nan 0.000 0.457 251 L N 1.688 122.896 121.223 -0.025 0.000 2.275 251 L HA -0.054 4.286 4.340 0.001 0.000 0.215 251 L C 1.561 178.459 176.870 0.047 0.000 1.119 251 L CA 1.403 56.226 54.840 -0.029 0.000 0.790 251 L CB -0.532 41.406 42.059 -0.202 0.000 0.919 251 L HN 0.462 nan 8.230 nan 0.000 0.443 252 T N -5.634 108.937 114.554 0.030 0.000 3.296 252 T HA 0.199 4.549 4.350 0.001 0.000 0.285 252 T C 1.217 176.014 174.700 0.162 0.000 1.014 252 T CA -0.594 61.557 62.100 0.086 0.000 0.920 252 T CB 0.354 69.219 68.868 -0.005 0.000 1.143 252 T HN -0.027 nan 8.240 nan 0.000 0.522 253 K N 0.921 121.440 120.400 0.199 0.000 2.067 253 K HA 0.245 4.566 4.320 0.001 0.000 0.203 253 K C 0.504 177.304 176.600 0.334 0.000 1.048 253 K CA 0.631 57.067 56.287 0.249 0.000 0.954 253 K CB 0.224 32.878 32.500 0.256 0.000 0.737 253 K HN 0.324 nan 8.250 nan 0.000 0.444 254 V N 1.922 122.014 119.914 0.296 0.000 2.686 254 V HA 0.181 4.302 4.120 0.001 0.000 0.306 254 V C -0.915 175.116 176.094 -0.104 0.000 1.065 254 V CA -1.163 61.217 62.300 0.134 0.000 0.894 254 V CB 2.132 34.031 31.823 0.126 0.000 1.004 254 V HN 0.066 nan 8.190 nan 0.000 0.424 255 L N 6.060 126.905 121.223 -0.629 0.000 2.367 255 L HA 0.481 4.821 4.340 0.001 0.000 0.275 255 L C -0.338 176.314 176.870 -0.364 0.000 1.129 255 L CA 0.388 54.627 54.840 -1.001 0.000 0.839 255 L CB -0.374 40.923 42.059 -1.270 0.000 1.133 255 L HN 0.703 nan 8.230 nan 0.000 0.453 256 Y N 3.933 124.156 120.300 -0.129 0.000 2.981 256 Y HA -0.187 4.364 4.550 0.001 0.000 0.204 256 Y C -1.915 173.991 175.900 0.011 0.000 1.265 256 Y CA -0.138 57.943 58.100 -0.033 0.000 0.941 256 Y CB -2.488 35.958 38.460 -0.024 0.000 1.254 256 Y HN 0.530 nan 8.280 nan 0.000 0.469 257 P HA -0.035 nan 4.420 nan 0.000 0.269 257 P C 0.574 177.939 177.300 0.109 0.000 1.209 257 P CA -0.115 63.054 63.100 0.116 0.000 0.776 257 P CB 0.775 32.538 31.700 0.104 0.000 0.876 258 N N 2.653 121.400 118.700 0.078 0.000 2.301 258 N HA -0.115 4.626 4.740 0.001 0.000 0.267 258 N C 0.401 175.941 175.510 0.050 0.000 1.304 258 N CA 0.530 53.609 53.050 0.048 0.000 0.851 258 N CB -0.059 38.443 38.487 0.025 0.000 1.070 258 N HN 0.404 nan 8.380 nan 0.000 0.483 259 D N 1.871 122.295 120.400 0.040 0.000 2.501 259 D HA 0.048 4.689 4.640 0.001 0.000 0.226 259 D C 0.366 176.688 176.300 0.038 0.000 1.198 259 D CA -0.155 53.874 54.000 0.049 0.000 0.830 259 D CB -0.874 39.967 40.800 0.068 0.000 1.014 259 D HN 0.495 nan 8.370 nan 0.000 0.496 260 N N 0.055 118.772 118.700 0.029 0.000 2.289 260 N HA -0.038 4.703 4.740 0.001 0.000 0.184 260 N C 0.840 176.400 175.510 0.082 0.000 1.016 260 N CA 0.774 53.850 53.050 0.045 0.000 0.872 260 N CB 0.264 38.782 38.487 0.052 0.000 0.973 260 N HN 0.259 nan 8.380 nan 0.000 0.433 261 A N 0.036 122.912 122.820 0.092 0.000 2.282 261 A HA 0.367 4.687 4.320 0.001 0.000 0.324 261 A C 0.414 178.091 177.584 0.155 0.000 1.119 261 A CA -0.622 51.493 52.037 0.129 0.000 0.880 261 A CB 0.428 19.498 19.000 0.117 0.000 1.294 261 A HN 0.186 nan 8.150 nan 0.000 0.493 262 F N -0.388 119.598 119.950 0.060 0.000 2.234 262 F HA 0.019 4.546 4.527 0.001 0.000 0.296 262 F C 1.821 177.667 175.800 0.078 0.000 1.089 262 F CA 1.817 59.859 58.000 0.071 0.000 1.343 262 F CB 0.187 39.222 39.000 0.059 0.000 1.040 262 F HN 0.577 nan 8.300 nan 0.000 0.498 263 E N 0.635 120.813 120.200 -0.037 0.000 2.153 263 E HA -0.106 4.244 4.350 0.001 0.000 0.194 263 E C 2.419 178.952 176.600 -0.112 0.000 0.988 263 E CA 1.079 57.403 56.400 -0.127 0.000 0.811 263 E CB -0.901 28.814 29.700 0.025 0.000 0.746 263 E HN 0.563 nan 8.360 nan 0.000 0.466 264 G N 0.955 109.734 108.800 -0.034 0.000 2.408 264 G HA2 -0.215 3.745 3.960 0.001 0.000 0.215 264 G HA3 -0.215 3.745 3.960 0.001 0.000 0.215 264 G C 1.636 176.555 174.900 0.031 0.000 1.156 264 G CA 0.418 45.526 45.100 0.013 0.000 0.793 264 G HN 0.213 nan 8.290 nan 0.000 0.535 265 K N 0.273 120.683 120.400 0.015 0.000 2.026 265 K HA -0.068 4.253 4.320 0.001 0.000 0.208 265 K C 2.417 179.057 176.600 0.066 0.000 1.048 265 K CA 1.417 57.780 56.287 0.127 0.000 0.929 265 K CB -0.139 32.441 32.500 0.134 0.000 0.713 265 K HN 0.219 nan 8.250 nan 0.000 0.439 266 K N 0.956 121.225 120.400 -0.218 0.000 2.063 266 K HA -0.178 4.143 4.320 0.001 0.000 0.208 266 K C 2.131 178.648 176.600 -0.139 0.000 1.048 266 K CA 1.090 57.215 56.287 -0.270 0.000 0.928 266 K CB -0.134 32.081 32.500 -0.475 0.000 0.713 266 K HN -0.002 nan 8.250 nan 0.000 0.442 267 L N 1.542 122.720 121.223 -0.076 0.000 2.046 267 L HA -0.150 4.190 4.340 0.001 0.000 0.208 267 L C 2.116 179.012 176.870 0.044 0.000 1.077 267 L CA 1.623 56.459 54.840 -0.008 0.000 0.747 267 L CB -0.369 41.702 42.059 0.019 0.000 0.896 267 L HN 0.120 nan 8.230 nan 0.000 0.432 268 R N -1.108 119.445 120.500 0.089 0.000 2.081 268 R HA -0.168 4.173 4.340 0.001 0.000 0.235 268 R C 2.166 178.515 176.300 0.081 0.000 1.131 268 R CA 1.586 57.784 56.100 0.164 0.000 0.960 268 R CB -0.700 29.778 30.300 0.297 0.000 0.856 268 R HN 0.313 nan 8.270 nan 0.000 0.436 269 L N 0.925 122.054 121.223 -0.158 0.000 2.046 269 L HA -0.137 4.203 4.340 0.001 0.000 0.208 269 L C 2.090 178.872 176.870 -0.146 0.000 1.077 269 L CA 1.719 56.295 54.840 -0.440 0.000 0.747 269 L CB -0.340 41.132 42.059 -0.979 0.000 0.896 269 L HN 0.179 nan 8.230 nan 0.000 0.432 270 M N -1.577 117.986 119.600 -0.062 0.000 2.159 270 M HA -0.249 4.232 4.480 0.001 0.000 0.263 270 M C 2.235 178.634 176.300 0.165 0.000 1.063 270 M CA 1.645 56.992 55.300 0.078 0.000 1.110 270 M CB -0.504 32.130 32.600 0.057 0.000 1.374 270 M HN 0.347 nan 8.290 nan 0.000 0.411 271 Q N 0.251 120.137 119.800 0.143 0.000 2.096 271 Q HA -0.229 4.111 4.340 0.001 0.000 0.204 271 Q C 2.082 178.221 176.000 0.231 0.000 0.982 271 Q CA 1.589 57.520 55.803 0.214 0.000 0.850 271 Q CB -0.202 28.666 28.738 0.217 0.000 0.901 271 Q HN 0.630 nan 8.270 nan 0.000 0.422 272 Q N -0.534 119.370 119.800 0.173 0.000 2.050 272 Q HA -0.209 4.132 4.340 0.001 0.000 0.202 272 Q C 1.895 177.958 176.000 0.106 0.000 0.980 272 Q CA 1.517 57.413 55.803 0.156 0.000 0.840 272 Q CB -0.303 28.531 28.738 0.160 0.000 0.898 272 Q HN 0.399 nan 8.270 nan 0.000 0.424 273 Y N 0.794 121.090 120.300 -0.007 0.000 2.165 273 Y HA -0.303 4.248 4.550 0.001 0.000 0.286 273 Y C 1.971 177.879 175.900 0.013 0.000 1.155 273 Y CA 1.494 59.566 58.100 -0.047 0.000 1.164 273 Y CB -0.510 37.878 38.460 -0.119 0.000 0.978 273 Y HN 0.136 nan 8.280 nan 0.000 0.513 274 F N 1.298 121.085 119.950 -0.273 0.000 2.069 274 F HA -0.272 4.255 4.527 0.001 0.000 0.298 274 F C 2.607 178.209 175.800 -0.330 0.000 1.113 274 F CA 2.486 60.303 58.000 -0.306 0.000 1.214 274 F CB -1.046 37.909 39.000 -0.075 0.000 0.978 274 F HN 0.254 nan 8.300 nan 0.000 0.474 275 Q N -0.411 119.221 119.800 -0.280 0.000 2.061 275 Q HA -0.241 4.099 4.340 0.001 0.000 0.204 275 Q C 2.379 178.150 176.000 -0.381 0.000 0.984 275 Q CA 2.609 58.244 55.803 -0.279 0.000 0.846 275 Q CB -0.574 28.206 28.738 0.070 0.000 0.902 275 Q HN 0.574 nan 8.270 nan 0.000 0.421 276 C N -0.211 118.922 119.300 -0.278 0.000 2.466 276 C HA 0.044 4.505 4.460 0.001 0.000 0.278 276 C C 2.836 177.621 174.990 -0.341 0.000 1.288 276 C CA 0.607 59.494 59.018 -0.219 0.000 1.722 276 C CB -1.179 26.511 27.740 -0.083 0.000 2.017 276 C HN 0.709 nan 8.230 nan 0.000 0.488 277 A N -0.712 121.795 122.820 -0.520 0.000 1.902 277 A HA -0.200 4.121 4.320 0.001 0.000 0.217 277 A C 2.122 179.359 177.584 -0.579 0.000 1.181 277 A CA 2.189 53.927 52.037 -0.497 0.000 0.623 277 A CB -1.033 17.546 19.000 -0.701 0.000 0.818 277 A HN 0.668 nan 8.150 nan 0.000 0.443 278 C N -0.738 118.000 119.300 -0.937 0.000 2.453 278 C HA -0.043 4.418 4.460 0.001 0.000 0.277 278 C C 3.268 177.653 174.990 -1.007 0.000 1.262 278 C CA 1.243 59.430 59.018 -1.386 0.000 1.718 278 C CB -1.208 24.895 27.740 -2.729 0.000 2.031 278 C HN 0.621 nan 8.230 nan 0.000 0.480 279 S N 0.934 116.193 115.700 -0.736 0.000 2.368 279 S HA -0.146 4.324 4.470 0.001 0.000 0.225 279 S C 1.902 176.253 174.600 -0.415 0.000 1.030 279 S CA 1.549 59.444 58.200 -0.509 0.000 0.999 279 S CB -0.444 62.427 63.200 -0.549 0.000 0.844 279 S HN 0.483 nan 8.310 nan 0.000 0.459 280 V N 2.125 121.868 119.914 -0.285 0.000 2.343 280 V HA -0.212 3.909 4.120 0.001 0.000 0.247 280 V C 2.684 178.708 176.094 -0.117 0.000 1.051 280 V CA 1.710 63.921 62.300 -0.149 0.000 1.036 280 V CB -1.263 30.525 31.823 -0.058 0.000 0.654 280 V HN 0.550 nan 8.190 nan 0.000 0.451 281 A N -0.024 122.704 122.820 -0.153 0.000 1.902 281 A HA -0.310 4.011 4.320 0.001 0.000 0.217 281 A C 2.042 179.606 177.584 -0.032 0.000 1.181 281 A CA 2.289 54.270 52.037 -0.095 0.000 0.623 281 A CB -0.679 18.232 19.000 -0.149 0.000 0.818 281 A HN 0.615 nan 8.150 nan 0.000 0.443 282 D N -0.447 119.950 120.400 -0.004 0.000 2.117 282 D HA -0.087 4.553 4.640 0.001 0.000 0.198 282 D C 1.709 178.089 176.300 0.132 0.000 0.982 282 D CA 1.247 55.342 54.000 0.159 0.000 0.828 282 D CB -0.193 40.874 40.800 0.445 0.000 0.967 282 D HN 0.454 nan 8.370 nan 0.000 0.464 283 I N 0.137 120.751 120.570 0.073 0.000 2.163 283 I HA -0.253 3.918 4.170 0.001 0.000 0.243 283 I C 2.335 178.475 176.117 0.039 0.000 1.085 283 I CA 0.830 62.165 61.300 0.060 0.000 1.347 283 I CB -0.192 37.801 38.000 -0.012 0.000 1.044 283 I HN 0.137 nan 8.210 nan 0.000 0.408 284 L N -0.031 121.201 121.223 0.015 0.000 2.093 284 L HA -0.198 4.143 4.340 0.001 0.000 0.208 284 L C 2.741 179.667 176.870 0.093 0.000 1.085 284 L CA 1.154 56.017 54.840 0.038 0.000 0.755 284 L CB -0.550 41.516 42.059 0.011 0.000 0.904 284 L HN 0.240 nan 8.230 nan 0.000 0.435 285 R N 0.479 121.019 120.500 0.068 0.000 2.073 285 R HA -0.206 4.135 4.340 0.001 0.000 0.234 285 R C 2.499 178.856 176.300 0.094 0.000 1.134 285 R CA 1.597 57.741 56.100 0.074 0.000 0.952 285 R CB -0.158 30.174 30.300 0.053 0.000 0.850 285 R HN 0.181 nan 8.270 nan 0.000 0.433 286 R N -0.846 119.695 120.500 0.070 0.000 2.081 286 R HA -0.211 4.130 4.340 0.001 0.000 0.235 286 R C 2.264 178.570 176.300 0.009 0.000 1.131 286 R CA 2.089 58.202 56.100 0.021 0.000 0.960 286 R CB -0.395 29.899 30.300 -0.011 0.000 0.856 286 R HN 0.382 nan 8.270 nan 0.000 0.436 287 H N -0.445 118.589 119.070 -0.060 0.000 2.353 287 H HA -0.174 4.383 4.556 0.001 0.000 0.300 287 H C 2.119 177.397 175.328 -0.083 0.000 1.090 287 H CA 2.256 58.244 56.048 -0.099 0.000 1.327 287 H CB -0.266 29.450 29.762 -0.077 0.000 1.383 287 H HN 0.314 nan 8.280 nan 0.000 0.508 288 H N 0.007 119.038 119.070 -0.066 0.000 2.353 288 H HA -0.098 4.459 4.556 0.001 0.000 0.300 288 H C 2.064 177.317 175.328 -0.125 0.000 1.090 288 H CA 1.363 57.348 56.048 -0.105 0.000 1.327 288 H CB -0.110 29.637 29.762 -0.025 0.000 1.383 288 H HN 0.340 nan 8.280 nan 0.000 0.508 289 L N 0.830 122.032 121.223 -0.035 0.000 2.291 289 L HA -0.025 4.316 4.340 0.001 0.000 0.214 289 L C 2.364 179.124 176.870 -0.184 0.000 1.120 289 L CA 1.208 55.994 54.840 -0.089 0.000 0.799 289 L CB -1.045 41.004 42.059 -0.017 0.000 0.925 289 L HN 0.290 nan 8.230 nan 0.000 0.446 290 A N -1.072 121.611 122.820 -0.228 0.000 2.238 290 A HA 0.288 4.608 4.320 0.001 0.000 0.208 290 A C 1.665 179.060 177.584 -0.315 0.000 1.177 290 A CA 0.737 52.617 52.037 -0.262 0.000 0.804 290 A CB -0.394 18.433 19.000 -0.289 0.000 0.823 290 A HN 0.521 nan 8.150 nan 0.000 0.482 291 G N -0.633 107.956 108.800 -0.351 0.000 2.143 291 G HA2 -0.277 3.683 3.960 0.001 0.000 0.248 291 G HA3 -0.277 3.683 3.960 0.001 0.000 0.248 291 G C 0.314 174.990 174.900 -0.374 0.000 0.991 291 G CA 0.455 45.354 45.100 -0.335 0.000 0.689 291 G HN 0.658 nan 8.290 nan 0.000 0.522 292 R N -0.078 120.099 120.500 -0.539 0.000 2.528 292 R HA 0.572 4.913 4.340 0.001 0.000 0.271 292 R C 0.281 176.265 176.300 -0.527 0.000 1.056 292 R CA -0.515 55.177 56.100 -0.681 0.000 1.117 292 R CB 0.648 30.198 30.300 -1.249 0.000 1.085 292 R HN 0.011 nan 8.270 nan 0.000 0.530 293 K N 1.799 122.010 120.400 -0.315 0.000 2.110 293 K HA 0.111 4.432 4.320 0.001 0.000 0.263 293 K C 0.795 177.395 176.600 -0.000 0.000 0.975 293 K CA -0.524 55.676 56.287 -0.146 0.000 0.895 293 K CB 1.539 33.941 32.500 -0.162 0.000 1.060 293 K HN 0.298 nan 8.250 nan 0.000 0.448 294 L N 3.205 124.445 121.223 0.028 0.000 2.093 294 L HA -0.178 4.163 4.340 0.001 0.000 0.208 294 L C 2.476 179.328 176.870 -0.031 0.000 1.085 294 L CA 1.858 56.710 54.840 0.019 0.000 0.755 294 L CB -0.669 41.344 42.059 -0.076 0.000 0.904 294 L HN 0.760 nan 8.230 nan 0.000 0.435 295 H N -0.335 118.760 119.070 0.041 0.000 2.489 295 H HA -0.138 4.419 4.556 0.001 0.000 0.293 295 H C 1.269 176.619 175.328 0.036 0.000 1.066 295 H CA 1.295 57.357 56.048 0.023 0.000 1.305 295 H CB -0.373 29.405 29.762 0.028 0.000 1.386 295 H HN 0.700 nan 8.280 nan 0.000 0.551 296 E N 1.028 120.973 120.200 -0.425 0.000 2.419 296 E HA 0.020 4.370 4.350 0.001 0.000 0.190 296 E C 1.648 178.262 176.600 0.024 0.000 1.040 296 E CA -0.322 55.992 56.400 -0.143 0.000 0.900 296 E CB -0.030 29.581 29.700 -0.148 0.000 1.054 296 E HN 0.248 nan 8.360 nan 0.000 0.462 297 L N 1.891 123.024 121.223 -0.150 0.000 1.978 297 L HA -0.219 4.122 4.340 0.001 0.000 0.218 297 L C 2.450 179.187 176.870 -0.222 0.000 1.075 297 L CA 2.635 57.225 54.840 -0.416 0.000 0.767 297 L CB -0.794 41.005 42.059 -0.433 0.000 0.890 297 L HN 0.300 nan 8.230 nan 0.000 0.434 298 A N -1.456 121.255 122.820 -0.182 0.000 2.125 298 A HA -0.177 4.144 4.320 0.001 0.000 0.219 298 A C 1.829 179.309 177.584 -0.173 0.000 1.156 298 A CA 1.567 53.497 52.037 -0.179 0.000 0.671 298 A CB -0.733 18.152 19.000 -0.191 0.000 0.794 298 A HN 0.589 nan 8.150 nan 0.000 0.459 299 D N -1.945 118.347 120.400 -0.180 0.000 2.312 299 D HA -0.058 4.582 4.640 0.001 0.000 0.211 299 D C 0.743 176.763 176.300 -0.467 0.000 0.964 299 D CA 1.184 54.978 54.000 -0.343 0.000 0.877 299 D CB -0.056 40.472 40.800 -0.453 0.000 0.924 299 D HN 0.661 nan 8.370 nan 0.000 0.515 300 Y N -0.239 120.044 120.300 -0.029 0.000 2.452 300 Y HA 0.231 4.782 4.550 0.001 0.000 0.262 300 Y C 0.468 176.376 175.900 0.013 0.000 1.089 300 Y CA -0.123 57.989 58.100 0.021 0.000 1.262 300 Y CB 1.107 39.629 38.460 0.103 0.000 1.236 300 Y HN -0.281 nan 8.280 nan 0.000 0.512 301 E N 0.532 120.777 120.200 0.074 0.000 2.272 301 E HA 0.503 4.854 4.350 0.001 0.000 0.269 301 E C -1.401 175.177 176.600 -0.036 0.000 0.877 301 E CA -0.625 55.793 56.400 0.031 0.000 0.755 301 E CB 3.258 32.935 29.700 -0.038 0.000 1.192 301 E HN -0.133 nan 8.360 nan 0.000 0.422 302 V N 3.476 123.377 119.914 -0.021 0.000 2.823 302 V HA 0.574 4.695 4.120 0.001 0.000 0.312 302 V C -1.143 174.921 176.094 -0.050 0.000 1.072 302 V CA -0.690 61.602 62.300 -0.013 0.000 0.937 302 V CB 1.654 33.532 31.823 0.092 0.000 1.013 302 V HN 0.596 nan 8.190 nan 0.000 0.430 303 I N 5.085 125.629 120.570 -0.043 0.000 2.410 303 I HA 0.428 4.598 4.170 0.001 0.000 0.286 303 I C -0.642 175.554 176.117 0.131 0.000 1.009 303 I CA -0.558 60.747 61.300 0.008 0.000 1.111 303 I CB 1.797 39.742 38.000 -0.092 0.000 1.262 303 I HN 0.598 nan 8.210 nan 0.000 0.443 304 Q N 6.897 126.764 119.800 0.111 0.000 2.322 304 Q HA 0.454 4.795 4.340 0.001 0.000 0.256 304 Q C -1.264 174.773 176.000 0.061 0.000 0.960 304 Q CA -0.111 55.774 55.803 0.137 0.000 0.934 304 Q CB 0.920 29.773 28.738 0.191 0.000 1.200 304 Q HN 0.567 nan 8.270 nan 0.000 0.435 305 L N 4.250 125.560 121.223 0.144 0.000 2.260 305 L HA 0.443 4.783 4.340 0.001 0.000 0.289 305 L C -0.142 176.831 176.870 0.171 0.000 1.057 305 L CA -0.501 54.434 54.840 0.159 0.000 0.811 305 L CB 0.697 42.870 42.059 0.190 0.000 1.184 305 L HN 0.543 nan 8.230 nan 0.000 0.429 306 N N 4.342 123.120 118.700 0.130 0.000 2.469 306 N HA 0.216 4.957 4.740 0.001 0.000 0.253 306 N C -0.568 175.093 175.510 0.252 0.000 0.970 306 N CA -0.350 52.825 53.050 0.208 0.000 0.940 306 N CB 1.359 39.897 38.487 0.085 0.000 1.128 306 N HN 0.615 nan 8.380 nan 0.000 0.503 307 D N -0.238 120.356 120.400 0.323 0.000 4.121 307 D HA -0.196 4.445 4.640 0.001 0.000 0.291 307 D C 1.040 177.484 176.300 0.241 0.000 2.247 307 D CA 1.452 55.602 54.000 0.250 0.000 1.125 307 D CB -0.187 40.581 40.800 -0.054 0.000 1.032 307 D HN 0.572 nan 8.370 nan 0.000 1.224 308 T N -3.384 111.203 114.554 0.056 0.000 3.148 308 T HA 0.037 4.387 4.350 0.001 0.000 0.253 308 T C 1.463 176.252 174.700 0.148 0.000 1.134 308 T CA 1.436 63.580 62.100 0.072 0.000 1.051 308 T CB -0.396 68.510 68.868 0.062 0.000 0.959 308 T HN 0.473 nan 8.240 nan 0.000 0.525 309 H N 2.593 121.803 119.070 0.232 0.000 2.352 309 H HA 0.010 4.567 4.556 0.001 0.000 0.299 309 H C -0.861 174.579 175.328 0.187 0.000 1.097 309 H CA 1.139 57.332 56.048 0.242 0.000 1.311 309 H CB -0.703 29.216 29.762 0.263 0.000 1.377 309 H HN 0.449 nan 8.280 nan 0.000 0.504 310 P HA 0.144 nan 4.420 nan 0.000 0.266 310 P C 0.458 177.783 177.300 0.041 0.000 1.561 310 P CA 0.262 63.451 63.100 0.147 0.000 1.089 310 P CB 0.549 32.341 31.700 0.153 0.000 1.534 311 T N 0.475 115.051 114.554 0.036 0.000 2.721 311 T HA -0.198 4.153 4.350 0.001 0.000 0.268 311 T C 1.522 176.158 174.700 -0.107 0.000 1.038 311 T CA 1.363 63.420 62.100 -0.071 0.000 1.145 311 T CB -0.672 68.186 68.868 -0.017 0.000 0.858 311 T HN 0.104 nan 8.240 nan 0.000 0.459 312 I N 1.143 121.698 120.570 -0.025 0.000 2.756 312 I HA 0.043 4.214 4.170 0.001 0.000 0.262 312 I C 2.344 178.460 176.117 -0.002 0.000 1.225 312 I CA 0.333 61.626 61.300 -0.012 0.000 1.472 312 I CB -0.455 37.541 38.000 -0.006 0.000 1.094 312 I HN 0.179 nan 8.210 nan 0.000 0.454 313 A N 0.609 123.395 122.820 -0.056 0.000 1.948 313 A HA -0.233 4.088 4.320 0.001 0.000 0.220 313 A C 2.270 179.761 177.584 -0.156 0.000 1.177 313 A CA 2.126 54.136 52.037 -0.045 0.000 0.636 313 A CB -0.902 18.101 19.000 0.006 0.000 0.815 313 A HN 0.511 nan 8.150 nan 0.000 0.449 314 I N 0.241 120.514 120.570 -0.494 0.000 2.090 314 I HA -0.153 4.017 4.170 0.001 0.000 0.236 314 I C -0.355 175.695 176.117 -0.112 0.000 1.064 314 I CA 1.613 62.563 61.300 -0.584 0.000 1.324 314 I CB -1.141 36.475 38.000 -0.640 0.000 1.044 314 I HN 0.233 nan 8.210 nan 0.000 0.399 315 P HA -0.196 nan 4.420 nan 0.000 0.222 315 P C 1.234 178.606 177.300 0.120 0.000 1.147 315 P CA 1.570 64.726 63.100 0.092 0.000 0.790 315 P CB -0.031 31.762 31.700 0.155 0.000 0.780 316 E N 0.128 120.450 120.200 0.204 0.000 2.107 316 E HA -0.147 4.204 4.350 0.001 0.000 0.191 316 E C 1.901 178.589 176.600 0.146 0.000 0.982 316 E CA 0.630 57.187 56.400 0.262 0.000 0.809 316 E CB -1.132 28.771 29.700 0.340 0.000 0.756 316 E HN 0.023 nan 8.360 nan 0.000 0.459 317 L N 0.298 121.607 121.223 0.144 0.000 2.056 317 L HA -0.020 4.321 4.340 0.001 0.000 0.207 317 L C 2.110 179.018 176.870 0.064 0.000 1.078 317 L CA 1.557 56.473 54.840 0.126 0.000 0.749 317 L CB -0.670 41.520 42.059 0.218 0.000 0.901 317 L HN 0.293 nan 8.230 nan 0.000 0.433 318 L N -0.522 120.720 121.223 0.032 0.000 1.990 318 L HA -0.298 4.043 4.340 0.001 0.000 0.213 318 L C 2.825 179.688 176.870 -0.012 0.000 1.072 318 L CA 1.942 56.754 54.840 -0.048 0.000 0.755 318 L CB -0.663 41.334 42.059 -0.104 0.000 0.889 318 L HN 0.336 nan 8.230 nan 0.000 0.432 319 R N -0.063 120.431 120.500 -0.011 0.000 2.113 319 R HA -0.196 4.145 4.340 0.001 0.000 0.244 319 R C 2.167 178.498 176.300 0.052 0.000 1.142 319 R CA 2.126 58.214 56.100 -0.019 0.000 0.953 319 R CB -0.309 29.907 30.300 -0.139 0.000 0.860 319 R HN 0.193 nan 8.270 nan 0.000 0.438 320 V N 1.198 121.163 119.914 0.086 0.000 2.358 320 V HA -0.237 3.884 4.120 0.001 0.000 0.246 320 V C 2.367 178.581 176.094 0.198 0.000 1.047 320 V CA 1.676 64.056 62.300 0.134 0.000 1.035 320 V CB -0.356 31.554 31.823 0.146 0.000 0.658 320 V HN 0.329 nan 8.190 nan 0.000 0.452 321 L N -0.857 120.456 121.223 0.150 0.000 2.027 321 L HA -0.126 4.214 4.340 0.001 0.000 0.206 321 L C 2.316 179.275 176.870 0.149 0.000 1.074 321 L CA 1.578 56.515 54.840 0.162 0.000 0.745 321 L CB -0.439 41.645 42.059 0.043 0.000 0.898 321 L HN 0.241 nan 8.230 nan 0.000 0.433 322 I N -0.177 120.449 120.570 0.094 0.000 2.133 322 I HA -0.259 3.912 4.170 0.001 0.000 0.238 322 I C 1.956 178.130 176.117 0.096 0.000 1.074 322 I CA 1.370 62.730 61.300 0.100 0.000 1.342 322 I CB -0.300 37.765 38.000 0.109 0.000 1.053 322 I HN 0.215 nan 8.210 nan 0.000 0.404 323 D N 0.268 120.717 120.400 0.081 0.000 2.194 323 D HA -0.097 4.543 4.640 0.001 0.000 0.204 323 D C 2.002 178.316 176.300 0.023 0.000 0.964 323 D CA 1.025 55.064 54.000 0.065 0.000 0.846 323 D CB -0.004 40.843 40.800 0.079 0.000 0.962 323 D HN 0.410 nan 8.370 nan 0.000 0.490 324 E N -0.831 119.360 120.200 -0.015 0.000 2.340 324 E HA 0.052 4.403 4.350 0.001 0.000 0.198 324 E C 0.911 177.295 176.600 -0.361 0.000 0.961 324 E CA 0.323 56.617 56.400 -0.177 0.000 0.905 324 E CB 0.362 29.937 29.700 -0.208 0.000 0.884 324 E HN 0.393 nan 8.360 nan 0.000 0.491 325 H N 0.330 119.423 119.070 0.040 0.000 2.672 325 H HA 0.192 4.749 4.556 0.001 0.000 0.277 325 H C -0.055 175.302 175.328 0.048 0.000 1.074 325 H CA 0.111 56.184 56.048 0.042 0.000 1.173 325 H CB 0.711 30.500 29.762 0.044 0.000 1.558 325 H HN 0.075 nan 8.280 nan 0.000 0.539 326 Q N 0.174 120.036 119.800 0.103 0.000 2.461 326 Q HA -0.193 4.148 4.340 0.001 0.000 0.273 326 Q C -0.102 175.962 176.000 0.107 0.000 1.163 326 Q CA 0.507 56.365 55.803 0.092 0.000 0.929 326 Q CB -1.402 27.377 28.738 0.069 0.000 1.334 326 Q HN 0.488 nan 8.270 nan 0.000 0.499 327 M N 0.535 120.209 119.600 0.123 0.000 2.240 327 M HA 0.140 4.621 4.480 0.001 0.000 0.333 327 M C 0.914 177.285 176.300 0.118 0.000 1.110 327 M CA 0.306 55.672 55.300 0.110 0.000 1.173 327 M CB 0.725 33.383 32.600 0.096 0.000 1.458 327 M HN 0.318 nan 8.290 nan 0.000 0.458 328 S N 1.932 117.705 115.700 0.122 0.000 2.600 328 S HA 0.013 4.483 4.470 0.001 0.000 0.265 328 S C 0.888 175.611 174.600 0.205 0.000 1.325 328 S CA -0.793 57.505 58.200 0.163 0.000 1.002 328 S CB 0.620 63.910 63.200 0.150 0.000 0.921 328 S HN 0.952 nan 8.310 nan 0.000 0.554 329 W N 1.732 123.086 121.300 0.090 0.000 2.317 329 W HA -0.215 4.446 4.660 0.001 0.000 0.318 329 W C 0.895 177.509 176.519 0.158 0.000 1.227 329 W CA 2.333 59.745 57.345 0.112 0.000 1.269 329 W CB -0.758 28.742 29.460 0.068 0.000 1.155 329 W HN 0.754 nan 8.180 nan 0.000 0.484 330 D N 0.249 120.858 120.400 0.347 0.000 2.144 330 D HA -0.166 4.474 4.640 0.001 0.000 0.199 330 D C 1.571 177.980 176.300 0.182 0.000 0.984 330 D CA 1.684 55.854 54.000 0.283 0.000 0.834 330 D CB -0.632 40.313 40.800 0.242 0.000 0.955 330 D HN 0.173 nan 8.370 nan 0.000 0.465 331 D N 0.271 120.748 120.400 0.129 0.000 2.149 331 D HA -0.016 4.625 4.640 0.001 0.000 0.201 331 D C 2.007 178.337 176.300 0.049 0.000 0.972 331 D CA 0.932 54.986 54.000 0.090 0.000 0.835 331 D CB -0.227 40.621 40.800 0.081 0.000 0.966 331 D HN 0.118 nan 8.370 nan 0.000 0.476 332 A N 0.817 123.641 122.820 0.008 0.000 1.873 332 A HA -0.157 4.164 4.320 0.001 0.000 0.215 332 A C 2.112 179.641 177.584 -0.091 0.000 1.186 332 A CA 0.895 52.895 52.037 -0.063 0.000 0.616 332 A CB -1.159 17.770 19.000 -0.118 0.000 0.823 332 A HN 0.398 nan 8.150 nan 0.000 0.442 333 W N 0.841 121.948 121.300 -0.320 0.000 2.374 333 W HA -0.164 4.497 4.660 0.001 0.000 0.288 333 W C 2.223 178.693 176.519 -0.082 0.000 1.218 333 W CA 1.769 58.968 57.345 -0.245 0.000 1.245 333 W CB -0.180 29.128 29.460 -0.253 0.000 1.126 333 W HN 0.436 nan 8.180 nan 0.000 0.545 334 A N 0.464 123.340 122.820 0.094 0.000 1.972 334 A HA -0.163 4.157 4.320 0.001 0.000 0.219 334 A C 1.970 179.512 177.584 -0.070 0.000 1.169 334 A CA 1.706 53.767 52.037 0.039 0.000 0.635 334 A CB -0.780 18.270 19.000 0.085 0.000 0.810 334 A HN 0.327 nan 8.150 nan 0.000 0.446 335 I N -0.226 120.289 120.570 -0.092 0.000 2.206 335 I HA -0.180 3.990 4.170 0.001 0.000 0.239 335 I C 2.925 178.917 176.117 -0.208 0.000 1.078 335 I CA 1.722 62.944 61.300 -0.131 0.000 1.367 335 I CB -0.676 37.259 38.000 -0.108 0.000 1.078 335 I HN 0.483 nan 8.210 nan 0.000 0.413 336 T N -1.281 113.128 114.554 -0.242 0.000 2.746 336 T HA -0.181 4.170 4.350 0.001 0.000 0.267 336 T C 1.903 176.452 174.700 -0.252 0.000 1.039 336 T CA 1.532 63.498 62.100 -0.223 0.000 1.142 336 T CB -0.844 67.933 68.868 -0.151 0.000 0.866 336 T HN 0.422 nan 8.240 nan 0.000 0.444 337 S N 0.594 115.985 115.700 -0.516 0.000 2.555 337 S HA 0.129 4.600 4.470 0.001 0.000 0.230 337 S C 1.608 176.143 174.600 -0.109 0.000 0.978 337 S CA 0.024 57.937 58.200 -0.478 0.000 0.934 337 S CB -0.200 62.541 63.200 -0.766 0.000 0.766 337 S HN 0.278 nan 8.310 nan 0.000 0.533 338 K N 0.572 120.910 120.400 -0.103 0.000 2.374 338 K HA 0.331 4.651 4.320 0.001 0.000 0.202 338 K C 0.995 177.551 176.600 -0.074 0.000 1.040 338 K CA 0.337 56.567 56.287 -0.095 0.000 1.085 338 K CB 0.169 32.560 32.500 -0.182 0.000 0.873 338 K HN 0.388 nan 8.250 nan 0.000 0.539 339 T N -0.287 114.244 114.554 -0.039 0.000 3.038 339 T HA 0.258 4.608 4.350 0.001 0.000 0.244 339 T C 0.049 174.675 174.700 -0.123 0.000 1.016 339 T CA 0.142 62.129 62.100 -0.188 0.000 1.098 339 T CB 0.133 68.690 68.868 -0.518 0.000 0.954 339 T HN -0.102 nan 8.240 nan 0.000 0.469 340 F N 1.922 121.923 119.950 0.086 0.000 2.394 340 F HA 0.695 5.223 4.527 0.001 0.000 0.340 340 F C 0.449 176.073 175.800 -0.292 0.000 1.105 340 F CA -1.294 56.678 58.000 -0.048 0.000 1.124 340 F CB 0.785 39.709 39.000 -0.127 0.000 1.145 340 F HN 0.013 nan 8.300 nan 0.000 0.505 341 A N 3.255 126.010 122.820 -0.108 0.000 2.380 341 A HA 0.724 5.045 4.320 0.001 0.000 0.315 341 A C -2.139 175.443 177.584 -0.003 0.000 1.101 341 A CA -0.647 51.177 52.037 -0.355 0.000 0.771 341 A CB 1.185 19.971 19.000 -0.356 0.000 1.287 341 A HN 0.700 nan 8.150 nan 0.000 0.436 342 Y N 0.719 120.917 120.300 -0.170 0.000 2.391 342 Y HA 0.635 5.186 4.550 0.001 0.000 0.341 342 Y C -0.559 175.331 175.900 -0.017 0.000 0.965 342 Y CA -0.385 57.670 58.100 -0.076 0.000 1.067 342 Y CB 2.044 40.427 38.460 -0.129 0.000 1.199 342 Y HN 0.556 nan 8.280 nan 0.000 0.450 343 T N 6.753 120.990 114.554 -0.529 0.000 2.771 343 T HA 0.222 4.572 4.350 0.001 0.000 0.281 343 T C -0.689 173.478 174.700 -0.889 0.000 0.982 343 T CA -0.810 60.953 62.100 -0.562 0.000 0.978 343 T CB 0.332 69.052 68.868 -0.246 0.000 0.930 343 T HN 0.685 nan 8.240 nan 0.000 0.447 344 N N 2.181 120.462 118.700 -0.699 0.000 2.422 344 N HA 0.072 4.813 4.740 0.001 0.000 0.264 344 N C 0.205 175.667 175.510 -0.080 0.000 1.063 344 N CA -0.288 52.624 53.050 -0.230 0.000 0.959 344 N CB 0.589 39.123 38.487 0.079 0.000 1.087 344 N HN 0.649 nan 8.380 nan 0.000 0.483 345 H N 1.698 120.811 119.070 0.072 0.000 2.622 345 H HA 0.139 4.696 4.556 0.001 0.000 0.269 345 H C -0.120 175.143 175.328 -0.109 0.000 0.977 345 H CA 0.270 56.327 56.048 0.015 0.000 1.179 345 H CB 1.054 30.829 29.762 0.022 0.000 1.458 345 H HN 0.524 nan 8.280 nan 0.000 0.531 346 T N 0.044 114.621 114.554 0.039 0.000 3.128 346 T HA 0.165 4.516 4.350 0.001 0.000 0.363 346 T C 0.142 174.864 174.700 0.037 0.000 1.610 346 T CA -0.606 61.455 62.100 -0.065 0.000 1.126 346 T CB 0.517 69.354 68.868 -0.050 0.000 1.416 346 T HN 0.061 nan 8.240 nan 0.000 0.480 347 L N 3.041 124.257 121.223 -0.011 0.000 2.599 347 L HA 0.296 4.636 4.340 0.001 0.000 0.230 347 L C 1.150 177.993 176.870 -0.046 0.000 1.141 347 L CA -0.003 54.831 54.840 -0.010 0.000 0.877 347 L CB -0.191 41.854 42.059 -0.024 0.000 1.009 347 L HN 0.469 nan 8.230 nan 0.000 0.447 348 M N 1.643 121.199 119.600 -0.073 0.000 2.248 348 M HA 0.061 4.541 4.480 0.001 0.000 0.345 348 M C -1.032 175.281 176.300 0.022 0.000 1.243 348 M CA -1.700 53.592 55.300 -0.015 0.000 1.090 348 M CB 0.240 32.856 32.600 0.027 0.000 1.683 348 M HN -0.180 nan 8.290 nan 0.000 0.450 349 P HA -0.186 nan 4.420 nan 0.000 0.220 349 P C 0.883 178.177 177.300 -0.009 0.000 1.148 349 P CA 1.357 64.462 63.100 0.009 0.000 0.803 349 P CB -0.182 31.521 31.700 0.005 0.000 0.782 350 E N 0.844 121.044 120.200 -0.001 0.000 2.204 350 E HA -0.130 4.220 4.350 0.001 0.000 0.195 350 E C 1.672 178.269 176.600 -0.006 0.000 0.990 350 E CA 1.419 57.804 56.400 -0.025 0.000 0.821 350 E CB -1.012 28.669 29.700 -0.031 0.000 0.750 350 E HN 0.202 nan 8.360 nan 0.000 0.477 351 A N 0.985 123.811 122.820 0.010 0.000 2.251 351 A HA 0.257 4.578 4.320 0.001 0.000 0.209 351 A C 1.130 178.718 177.584 0.006 0.000 1.187 351 A CA -0.163 51.866 52.037 -0.012 0.000 0.823 351 A CB -0.099 18.906 19.000 0.008 0.000 0.846 351 A HN 0.160 nan 8.150 nan 0.000 0.486 352 L N 1.314 122.545 121.223 0.013 0.000 2.506 352 L HA 0.270 4.610 4.340 0.001 0.000 0.247 352 L C -0.509 176.344 176.870 -0.029 0.000 1.141 352 L CA -0.295 54.568 54.840 0.039 0.000 0.973 352 L CB 0.783 42.880 42.059 0.063 0.000 1.319 352 L HN 0.255 nan 8.230 nan 0.000 0.455 353 E N 2.142 122.306 120.200 -0.060 0.000 2.373 353 E HA 0.338 4.688 4.350 0.001 0.000 0.267 353 E C -0.367 176.043 176.600 -0.315 0.000 1.032 353 E CA -0.073 56.186 56.400 -0.235 0.000 0.889 353 E CB 0.958 30.555 29.700 -0.171 0.000 0.984 353 E HN 0.353 nan 8.360 nan 0.000 0.425 354 R N 2.537 122.702 120.500 -0.557 0.000 2.575 354 R HA 0.353 4.694 4.340 0.001 0.000 0.293 354 R C -1.359 174.499 176.300 -0.737 0.000 0.983 354 R CA -0.704 55.084 56.100 -0.520 0.000 0.887 354 R CB 1.314 31.372 30.300 -0.404 0.000 1.184 354 R HN 0.466 nan 8.270 nan 0.000 0.445 355 W N 1.697 122.953 121.300 -0.073 0.000 2.666 355 W HA 0.293 4.954 4.660 0.001 0.000 0.334 355 W C -0.239 176.266 176.519 -0.025 0.000 1.051 355 W CA -0.700 56.630 57.345 -0.026 0.000 1.224 355 W CB 1.233 30.687 29.460 -0.010 0.000 1.405 355 W HN 0.334 nan 8.180 nan 0.000 0.513 356 D N 1.230 121.775 120.400 0.242 0.000 2.423 356 D HA -0.031 4.609 4.640 0.001 0.000 0.238 356 D C 1.178 177.578 176.300 0.168 0.000 1.142 356 D CA 0.106 54.202 54.000 0.161 0.000 0.884 356 D CB 1.542 42.437 40.800 0.158 0.000 1.199 356 D HN 0.119 nan 8.370 nan 0.000 0.438 357 V N 2.658 122.642 119.914 0.116 0.000 2.332 357 V HA -0.287 3.834 4.120 0.001 0.000 0.248 357 V C 2.415 178.563 176.094 0.089 0.000 1.055 357 V CA 2.066 64.425 62.300 0.097 0.000 1.038 357 V CB -0.427 31.442 31.823 0.077 0.000 0.651 357 V HN 0.640 nan 8.190 nan 0.000 0.450 358 K N -0.206 120.250 120.400 0.093 0.000 2.103 358 K HA -0.230 4.091 4.320 0.001 0.000 0.207 358 K C 2.069 178.736 176.600 0.111 0.000 1.048 358 K CA 1.798 58.137 56.287 0.088 0.000 0.930 358 K CB -0.230 32.319 32.500 0.082 0.000 0.716 358 K HN 0.377 nan 8.250 nan 0.000 0.444 359 L N 0.486 121.800 121.223 0.152 0.000 2.044 359 L HA -0.090 4.250 4.340 0.001 0.000 0.205 359 L C 1.957 178.853 176.870 0.043 0.000 1.075 359 L CA 1.348 56.280 54.840 0.153 0.000 0.747 359 L CB -0.373 41.821 42.059 0.225 0.000 0.903 359 L HN 0.009 nan 8.230 nan 0.000 0.435 360 V N 0.050 119.979 119.914 0.024 0.000 2.343 360 V HA -0.314 3.807 4.120 0.001 0.000 0.247 360 V C 2.664 178.730 176.094 -0.047 0.000 1.051 360 V CA 2.153 64.416 62.300 -0.061 0.000 1.036 360 V CB -0.841 30.962 31.823 -0.034 0.000 0.654 360 V HN 0.504 nan 8.190 nan 0.000 0.451 361 K N 0.204 120.606 120.400 0.003 0.000 2.063 361 K HA -0.164 4.157 4.320 0.001 0.000 0.208 361 K C 2.146 178.750 176.600 0.008 0.000 1.048 361 K CA 1.679 57.968 56.287 0.003 0.000 0.928 361 K CB -0.529 31.987 32.500 0.027 0.000 0.713 361 K HN 0.529 nan 8.250 nan 0.000 0.442 362 G N 0.613 109.431 108.800 0.030 0.000 2.408 362 G HA2 -0.157 3.804 3.960 0.001 0.000 0.215 362 G HA3 -0.157 3.804 3.960 0.001 0.000 0.215 362 G C 1.309 176.234 174.900 0.043 0.000 1.156 362 G CA 0.142 45.272 45.100 0.050 0.000 0.793 362 G HN 0.119 nan 8.290 nan 0.000 0.535 363 L N -0.231 120.990 121.223 -0.003 0.000 2.068 363 L HA 0.366 4.707 4.340 0.001 0.000 0.204 363 L C 1.262 178.095 176.870 -0.062 0.000 1.076 363 L CA 1.176 55.997 54.840 -0.032 0.000 0.753 363 L CB -0.311 41.679 42.059 -0.116 0.000 0.910 363 L HN 0.098 nan 8.230 nan 0.000 0.439 364 L N 0.773 121.903 121.223 -0.156 0.000 2.551 364 L HA 0.226 4.566 4.340 0.001 0.000 0.248 364 L C -1.615 175.107 176.870 -0.246 0.000 1.509 364 L CA -0.727 53.936 54.840 -0.295 0.000 0.842 364 L CB 1.221 42.952 42.059 -0.548 0.000 1.087 364 L HN -0.032 nan 8.230 nan 0.000 0.512 365 P HA -0.164 nan 4.420 nan 0.000 0.218 365 P C 1.400 178.548 177.300 -0.254 0.000 1.149 365 P CA 0.972 63.977 63.100 -0.159 0.000 0.817 365 P CB 0.416 32.088 31.700 -0.046 0.000 0.785 366 R N 0.040 120.206 120.500 -0.556 0.000 2.090 366 R HA -0.116 4.225 4.340 0.001 0.000 0.228 366 R C 2.237 178.308 176.300 -0.382 0.000 1.110 366 R CA 1.569 57.379 56.100 -0.482 0.000 0.973 366 R CB -1.592 28.304 30.300 -0.673 0.000 0.869 366 R HN 0.225 nan 8.270 nan 0.000 0.440 367 H N -1.060 117.753 119.070 -0.429 0.000 2.423 367 H HA -0.038 4.519 4.556 0.001 0.000 0.297 367 H C 1.616 176.869 175.328 -0.125 0.000 1.075 367 H CA 1.817 57.717 56.048 -0.246 0.000 1.342 367 H CB -0.139 29.448 29.762 -0.291 0.000 1.395 367 H HN 0.137 nan 8.280 nan 0.000 0.530 368 M N 0.670 120.263 119.600 -0.012 0.000 2.175 368 M HA -0.159 4.322 4.480 0.001 0.000 0.264 368 M C 1.800 178.115 176.300 0.025 0.000 1.063 368 M CA 1.529 56.836 55.300 0.011 0.000 1.119 368 M CB -0.052 32.546 32.600 -0.004 0.000 1.377 368 M HN 0.213 nan 8.290 nan 0.000 0.415 369 Q N -0.364 119.434 119.800 -0.004 0.000 2.061 369 Q HA -0.189 4.151 4.340 0.001 0.000 0.204 369 Q C 2.111 178.146 176.000 0.058 0.000 0.984 369 Q CA 2.060 57.871 55.803 0.014 0.000 0.846 369 Q CB -0.382 28.353 28.738 -0.006 0.000 0.902 369 Q HN 0.548 nan 8.270 nan 0.000 0.421 370 I N 0.201 120.821 120.570 0.083 0.000 2.202 370 I HA -0.274 3.897 4.170 0.001 0.000 0.242 370 I C 2.152 178.418 176.117 0.247 0.000 1.091 370 I CA 1.008 62.437 61.300 0.214 0.000 1.368 370 I CB -0.146 37.953 38.000 0.166 0.000 1.058 370 I HN 0.184 nan 8.210 nan 0.000 0.410 371 I N 0.793 121.466 120.570 0.170 0.000 2.208 371 I HA -0.323 3.848 4.170 0.001 0.000 0.245 371 I C 2.213 178.427 176.117 0.161 0.000 1.097 371 I CA 1.248 62.652 61.300 0.173 0.000 1.363 371 I CB -0.481 37.598 38.000 0.131 0.000 1.051 371 I HN 0.302 nan 8.210 nan 0.000 0.413 372 N N 0.453 119.224 118.700 0.117 0.000 2.104 372 N HA -0.239 4.501 4.740 0.001 0.000 0.190 372 N C 1.827 177.371 175.510 0.056 0.000 1.024 372 N CA 1.353 54.461 53.050 0.095 0.000 0.853 372 N CB -0.272 38.252 38.487 0.062 0.000 1.008 372 N HN 0.358 nan 8.380 nan 0.000 0.424 373 E N 1.086 121.283 120.200 -0.006 0.000 2.072 373 E HA -0.007 4.344 4.350 0.001 0.000 0.191 373 E C 2.022 178.519 176.600 -0.170 0.000 0.985 373 E CA 0.741 57.015 56.400 -0.209 0.000 0.801 373 E CB -0.299 29.132 29.700 -0.449 0.000 0.750 373 E HN 0.326 nan 8.360 nan 0.000 0.452 374 I N 0.759 121.386 120.570 0.094 0.000 2.151 374 I HA -0.329 3.842 4.170 0.001 0.000 0.243 374 I C 2.300 178.534 176.117 0.195 0.000 1.080 374 I CA 1.558 62.972 61.300 0.191 0.000 1.339 374 I CB -0.500 37.692 38.000 0.320 0.000 1.039 374 I HN 0.228 nan 8.210 nan 0.000 0.409 375 N N 0.402 119.246 118.700 0.240 0.000 2.084 375 N HA -0.160 4.581 4.740 0.001 0.000 0.190 375 N C 1.760 177.520 175.510 0.416 0.000 1.030 375 N CA 2.037 55.322 53.050 0.392 0.000 0.849 375 N CB -0.139 38.550 38.487 0.338 0.000 1.012 375 N HN 0.180 nan 8.380 nan 0.000 0.423 376 T N 0.144 114.810 114.554 0.187 0.000 2.737 376 T HA -0.035 4.315 4.350 0.001 0.000 0.265 376 T C 1.868 176.566 174.700 -0.004 0.000 1.038 376 T CA 1.066 63.197 62.100 0.052 0.000 1.144 376 T CB -0.136 68.713 68.868 -0.031 0.000 0.866 376 T HN 0.265 nan 8.240 nan 0.000 0.434 377 R N -0.068 120.412 120.500 -0.032 0.000 2.096 377 R HA 0.001 4.341 4.340 0.001 0.000 0.235 377 R C 2.160 178.524 176.300 0.106 0.000 1.127 377 R CA 1.124 57.193 56.100 -0.051 0.000 0.968 377 R CB -0.426 29.763 30.300 -0.185 0.000 0.861 377 R HN 0.312 nan 8.270 nan 0.000 0.440 378 F N 2.141 122.139 119.950 0.080 0.000 2.146 378 F HA -0.115 4.413 4.527 0.001 0.000 0.298 378 F C 2.131 178.062 175.800 0.218 0.000 1.096 378 F CA 1.324 59.462 58.000 0.230 0.000 1.275 378 F CB -0.195 39.033 39.000 0.380 0.000 1.008 378 F HN -0.214 nan 8.300 nan 0.000 0.480 379 K N -0.368 120.039 120.400 0.012 0.000 2.127 379 K HA -0.215 4.106 4.320 0.001 0.000 0.208 379 K C 1.929 178.281 176.600 -0.413 0.000 1.047 379 K CA 2.066 57.987 56.287 -0.609 0.000 0.927 379 K CB -0.389 31.645 32.500 -0.776 0.000 0.716 379 K HN 0.301 nan 8.250 nan 0.000 0.450 380 T N 1.733 116.157 114.554 -0.217 0.000 2.665 380 T HA -0.202 4.149 4.350 0.001 0.000 0.268 380 T C 1.604 176.230 174.700 -0.123 0.000 1.035 380 T CA 1.481 63.492 62.100 -0.148 0.000 1.151 380 T CB -0.229 68.590 68.868 -0.081 0.000 0.862 380 T HN 0.155 nan 8.240 nan 0.000 0.438 381 L N 1.240 122.406 121.223 -0.096 0.000 2.109 381 L HA 0.050 4.391 4.340 0.001 0.000 0.207 381 L C 2.410 179.212 176.870 -0.114 0.000 1.086 381 L CA 1.326 56.130 54.840 -0.061 0.000 0.760 381 L CB -0.746 41.361 42.059 0.081 0.000 0.910 381 L HN 0.105 nan 8.230 nan 0.000 0.437 382 V N -0.214 119.559 119.914 -0.234 0.000 2.427 382 V HA -0.225 3.895 4.120 0.001 0.000 0.248 382 V C 2.589 178.722 176.094 0.064 0.000 1.051 382 V CA 1.640 63.933 62.300 -0.012 0.000 1.048 382 V CB -0.670 31.133 31.823 -0.034 0.000 0.666 382 V HN 0.530 nan 8.190 nan 0.000 0.456 383 E N 1.133 121.269 120.200 -0.107 0.000 2.072 383 E HA -0.225 4.126 4.350 0.001 0.000 0.191 383 E C 2.229 178.796 176.600 -0.055 0.000 0.985 383 E CA 1.502 57.847 56.400 -0.092 0.000 0.801 383 E CB -0.400 29.192 29.700 -0.181 0.000 0.750 383 E HN 0.463 nan 8.360 nan 0.000 0.452 384 K N -0.848 119.506 120.400 -0.076 0.000 2.280 384 K HA -0.088 4.233 4.320 0.001 0.000 0.202 384 K C 1.079 177.602 176.600 -0.128 0.000 1.047 384 K CA 1.622 57.858 56.287 -0.084 0.000 0.942 384 K CB 0.049 32.503 32.500 -0.075 0.000 0.739 384 K HN 0.206 nan 8.250 nan 0.000 0.457 385 T N -1.047 113.413 114.554 -0.156 0.000 3.038 385 T HA 0.069 4.420 4.350 0.001 0.000 0.244 385 T C 0.048 174.429 174.700 -0.532 0.000 1.016 385 T CA 0.159 62.002 62.100 -0.429 0.000 1.098 385 T CB 0.233 68.714 68.868 -0.644 0.000 0.954 385 T HN 0.222 nan 8.240 nan 0.000 0.469 386 W N 3.016 124.268 121.300 -0.081 0.000 2.319 386 W HA 0.347 5.008 4.660 0.001 0.000 0.288 386 W C -3.190 173.291 176.519 -0.065 0.000 0.959 386 W CA -2.692 54.615 57.345 -0.063 0.000 1.784 386 W CB 0.032 29.460 29.460 -0.054 0.000 1.848 386 W HN 0.018 nan 8.180 nan 0.000 0.408 387 P HA -0.016 nan 4.420 nan 0.000 0.260 387 P C 1.085 178.408 177.300 0.038 0.000 1.185 387 P CA 1.863 64.979 63.100 0.027 0.000 0.763 387 P CB 0.396 32.092 31.700 -0.007 0.000 0.776 388 G N 2.789 111.596 108.800 0.012 0.000 2.189 388 G HA2 -0.284 3.677 3.960 0.001 0.000 0.267 388 G HA3 -0.284 3.677 3.960 0.001 0.000 0.267 388 G C 0.314 175.231 174.900 0.029 0.000 0.975 388 G CA 0.123 45.228 45.100 0.007 0.000 0.644 388 G HN 0.613 nan 8.290 nan 0.000 0.537 389 D N 0.834 121.270 120.400 0.060 0.000 2.348 389 D HA 0.308 4.948 4.640 0.001 0.000 0.259 389 D C 1.404 177.731 176.300 0.045 0.000 1.296 389 D CA -0.030 54.001 54.000 0.052 0.000 0.931 389 D CB 0.186 41.030 40.800 0.073 0.000 1.067 389 D HN 0.537 nan 8.370 nan 0.000 0.503 390 E N 2.353 122.580 120.200 0.046 0.000 2.152 390 E HA -0.102 4.248 4.350 0.001 0.000 0.192 390 E C 1.499 178.124 176.600 0.042 0.000 0.983 390 E CA 0.573 57.026 56.400 0.088 0.000 0.818 390 E CB 0.419 30.169 29.700 0.084 0.000 0.758 390 E HN 0.417 nan 8.360 nan 0.000 0.467 391 K N 0.215 120.598 120.400 -0.027 0.000 2.057 391 K HA -0.094 4.226 4.320 0.001 0.000 0.206 391 K C 2.090 178.582 176.600 -0.180 0.000 1.050 391 K CA 0.826 57.056 56.287 -0.096 0.000 0.935 391 K CB -0.013 32.434 32.500 -0.090 0.000 0.715 391 K HN -0.010 nan 8.250 nan 0.000 0.439 392 V N 0.918 120.703 119.914 -0.214 0.000 2.427 392 V HA -0.225 3.896 4.120 0.001 0.000 0.248 392 V C 1.845 177.767 176.094 -0.286 0.000 1.051 392 V CA 1.301 63.372 62.300 -0.382 0.000 1.048 392 V CB -0.344 31.054 31.823 -0.709 0.000 0.666 392 V HN 0.555 nan 8.190 nan 0.000 0.456 393 W N 0.792 121.917 121.300 -0.291 0.000 2.358 393 W HA -0.230 4.431 4.660 0.001 0.000 0.303 393 W C 2.334 178.688 176.519 -0.275 0.000 1.208 393 W CA 1.655 58.870 57.345 -0.215 0.000 1.274 393 W CB -0.240 29.151 29.460 -0.114 0.000 1.138 393 W HN 0.315 nan 8.180 nan 0.000 0.515 394 A N 0.920 123.422 122.820 -0.531 0.000 1.948 394 A HA -0.257 4.064 4.320 0.001 0.000 0.220 394 A C 2.070 179.223 177.584 -0.718 0.000 1.177 394 A CA 1.926 53.402 52.037 -0.934 0.000 0.636 394 A CB -0.875 17.755 19.000 -0.617 0.000 0.815 394 A HN 0.265 nan 8.150 nan 0.000 0.449 395 K N -0.703 119.397 120.400 -0.501 0.000 2.103 395 K HA 0.083 4.404 4.320 0.001 0.000 0.204 395 K C 1.558 177.916 176.600 -0.403 0.000 1.052 395 K CA 1.049 57.091 56.287 -0.408 0.000 0.945 395 K CB -0.162 32.129 32.500 -0.348 0.000 0.722 395 K HN 0.554 nan 8.250 nan 0.000 0.443 396 L N 0.313 121.279 121.223 -0.427 0.000 2.554 396 L HA 0.203 4.543 4.340 0.001 0.000 0.225 396 L C 0.842 177.654 176.870 -0.096 0.000 1.104 396 L CA -0.345 54.364 54.840 -0.218 0.000 0.866 396 L CB 0.097 42.091 42.059 -0.109 0.000 1.047 396 L HN -0.061 nan 8.230 nan 0.000 0.468 397 A N 0.405 122.818 122.820 -0.677 0.000 2.462 397 A HA 0.216 4.537 4.320 0.001 0.000 0.243 397 A C 1.349 178.798 177.584 -0.225 0.000 1.076 397 A CA -0.160 51.337 52.037 -0.900 0.000 0.773 397 A CB 0.689 18.894 19.000 -1.326 0.000 1.010 397 A HN -0.005 nan 8.150 nan 0.000 0.493 398 V N 2.448 122.380 119.914 0.029 0.000 2.427 398 V HA -0.094 4.026 4.120 0.001 0.000 0.248 398 V C 0.674 176.893 176.094 0.208 0.000 1.051 398 V CA 1.549 63.930 62.300 0.134 0.000 1.048 398 V CB -0.510 31.409 31.823 0.160 0.000 0.666 398 V HN 0.577 nan 8.190 nan 0.000 0.456 399 V N 0.617 120.648 119.914 0.196 0.000 2.577 399 V HA 0.593 4.714 4.120 0.001 0.000 0.303 399 V C -0.712 175.529 176.094 0.245 0.000 1.042 399 V CA -0.620 61.826 62.300 0.244 0.000 0.872 399 V CB 1.808 33.754 31.823 0.204 0.000 0.998 399 V HN 0.477 nan 8.190 nan 0.000 0.423 400 H N 3.657 122.822 119.070 0.159 0.000 3.121 400 H HA 0.207 4.763 4.556 0.001 0.000 0.337 400 H C -0.755 174.659 175.328 0.143 0.000 1.198 400 H CA -0.252 55.850 56.048 0.089 0.000 1.274 400 H CB 2.220 31.922 29.762 -0.099 0.000 1.954 400 H HN 0.750 nan 8.280 nan 0.000 0.531 401 D N 3.387 123.636 120.400 -0.251 0.000 2.723 401 D HA -0.170 4.471 4.640 0.001 0.000 0.236 401 D C -0.005 176.310 176.300 0.024 0.000 1.138 401 D CA 1.563 55.532 54.000 -0.052 0.000 0.676 401 D CB -0.589 40.298 40.800 0.146 0.000 1.069 401 D HN 0.797 nan 8.370 nan 0.000 0.430 402 K N -1.456 118.950 120.400 0.009 0.000 3.088 402 K HA -0.271 4.050 4.320 0.001 0.000 0.273 402 K C 0.187 176.822 176.600 0.058 0.000 1.111 402 K CA 1.175 57.485 56.287 0.038 0.000 0.803 402 K CB -0.978 31.539 32.500 0.028 0.000 1.226 402 K HN 0.540 nan 8.250 nan 0.000 0.485 403 Q N -0.028 119.815 119.800 0.071 0.000 2.397 403 Q HA 0.491 4.832 4.340 0.001 0.000 0.275 403 Q C -0.697 175.313 176.000 0.017 0.000 1.090 403 Q CA -1.037 54.769 55.803 0.006 0.000 0.809 403 Q CB 2.885 31.540 28.738 -0.139 0.000 1.362 403 Q HN -0.018 nan 8.270 nan 0.000 0.431 404 V N 2.008 121.929 119.914 0.013 0.000 2.407 404 V HA 0.186 4.307 4.120 0.001 0.000 0.278 404 V C -0.274 175.780 176.094 -0.067 0.000 1.037 404 V CA -0.576 61.774 62.300 0.083 0.000 0.900 404 V CB 0.784 32.707 31.823 0.166 0.000 0.983 404 V HN 0.670 nan 8.190 nan 0.000 0.459 405 H N 6.407 125.528 119.070 0.085 0.000 2.787 405 H HA 0.243 4.799 4.556 0.001 0.000 0.275 405 H C 0.538 175.898 175.328 0.054 0.000 1.183 405 H CA -0.671 55.412 56.048 0.057 0.000 1.290 405 H CB 1.334 31.125 29.762 0.049 0.000 1.438 405 H HN 0.543 nan 8.280 nan 0.000 0.487 406 M N 1.543 121.207 119.600 0.106 0.000 2.117 406 M HA -0.111 4.370 4.480 0.001 0.000 0.262 406 M C 2.404 178.688 176.300 -0.027 0.000 1.065 406 M CA 1.057 56.402 55.300 0.075 0.000 1.114 406 M CB -1.026 31.654 32.600 0.133 0.000 1.361 406 M HN 0.618 nan 8.290 nan 0.000 0.408 407 A N 0.547 123.374 122.820 0.011 0.000 1.972 407 A HA -0.171 4.150 4.320 0.001 0.000 0.219 407 A C 2.008 179.520 177.584 -0.121 0.000 1.169 407 A CA 1.672 53.669 52.037 -0.067 0.000 0.635 407 A CB -0.741 18.399 19.000 0.232 0.000 0.810 407 A HN 0.468 nan 8.150 nan 0.000 0.446 408 N N -0.028 118.703 118.700 0.052 0.000 2.069 408 N HA -0.152 4.589 4.740 0.001 0.000 0.191 408 N C 1.550 176.945 175.510 -0.192 0.000 1.031 408 N CA 1.460 54.518 53.050 0.014 0.000 0.852 408 N CB -0.625 37.969 38.487 0.179 0.000 1.018 408 N HN 0.395 nan 8.380 nan 0.000 0.423 409 L N 1.005 122.157 121.223 -0.118 0.000 2.042 409 L HA -0.140 4.201 4.340 0.001 0.000 0.210 409 L C 2.067 178.770 176.870 -0.277 0.000 1.076 409 L CA 1.502 56.258 54.840 -0.140 0.000 0.749 409 L CB -0.982 41.049 42.059 -0.046 0.000 0.893 409 L HN 0.194 nan 8.230 nan 0.000 0.432 410 C N -1.908 117.146 119.300 -0.411 0.000 2.429 410 C HA -0.124 4.337 4.460 0.001 0.000 0.277 410 C C 2.734 177.398 174.990 -0.544 0.000 1.262 410 C CA 0.874 59.555 59.018 -0.563 0.000 1.733 410 C CB -0.912 26.184 27.740 -1.074 0.000 2.010 410 C HN 0.485 nan 8.230 nan 0.000 0.483 411 V N 0.543 120.073 119.914 -0.640 0.000 2.307 411 V HA -0.166 3.955 4.120 0.001 0.000 0.245 411 V C 2.430 178.143 176.094 -0.635 0.000 1.045 411 V CA 1.970 63.853 62.300 -0.695 0.000 1.024 411 V CB -0.723 30.464 31.823 -1.060 0.000 0.651 411 V HN 0.434 nan 8.190 nan 0.000 0.449 412 V N 0.995 120.561 119.914 -0.580 0.000 2.407 412 V HA -0.163 3.958 4.120 0.001 0.000 0.248 412 V C 2.408 178.379 176.094 -0.205 0.000 1.055 412 V CA 2.207 64.249 62.300 -0.429 0.000 1.049 412 V CB -1.144 30.414 31.823 -0.441 0.000 0.662 412 V HN 0.625 nan 8.190 nan 0.000 0.455 413 G N -1.043 107.637 108.800 -0.201 0.000 2.939 413 G HA2 0.384 4.345 3.960 0.001 0.000 0.210 413 G HA3 0.384 4.345 3.960 0.001 0.000 0.210 413 G C 0.550 175.237 174.900 -0.355 0.000 1.160 413 G CA 0.650 45.616 45.100 -0.224 0.000 0.770 413 G HN 0.652 nan 8.290 nan 0.000 0.543 414 G N -0.601 108.008 108.800 -0.319 0.000 2.735 414 G HA2 0.467 4.428 3.960 0.001 0.000 0.301 414 G HA3 0.467 4.428 3.960 0.001 0.000 0.301 414 G C 0.185 174.929 174.900 -0.260 0.000 1.279 414 G CA -0.643 44.310 45.100 -0.244 0.000 1.019 414 G HN 0.231 nan 8.290 nan 0.000 0.497 415 F N -1.546 118.308 119.950 -0.159 0.000 2.721 415 F HA 0.743 5.270 4.527 0.001 0.000 0.301 415 F C 0.448 176.188 175.800 -0.101 0.000 1.096 415 F CA -0.514 57.395 58.000 -0.152 0.000 1.308 415 F CB 0.228 39.170 39.000 -0.097 0.000 1.086 415 F HN 0.571 nan 8.300 nan 0.000 0.587 416 A N 0.371 122.788 122.820 -0.670 0.000 2.574 416 A HA 0.738 5.059 4.320 0.001 0.000 0.297 416 A C -1.713 175.671 177.584 -0.333 0.000 1.062 416 A CA -0.650 51.160 52.037 -0.377 0.000 0.686 416 A CB 1.438 20.208 19.000 -0.383 0.000 1.285 416 A HN 0.059 nan 8.150 nan 0.000 0.403 417 V N 3.371 123.143 119.914 -0.236 0.000 2.638 417 V HA 0.628 4.749 4.120 0.001 0.000 0.306 417 V C -0.720 175.357 176.094 -0.027 0.000 1.052 417 V CA -0.708 61.464 62.300 -0.214 0.000 0.885 417 V CB 1.958 33.484 31.823 -0.496 0.000 0.999 417 V HN 1.065 nan 8.190 nan 0.000 0.424 418 N N 2.547 121.217 118.700 -0.050 0.000 2.284 418 N HA 0.627 5.368 4.740 0.001 0.000 0.289 418 N C -0.411 175.074 175.510 -0.041 0.000 1.179 418 N CA -0.357 52.697 53.050 0.006 0.000 0.774 418 N CB 2.885 41.352 38.487 -0.033 0.000 1.548 418 N HN 0.689 nan 8.380 nan 0.000 0.473 419 G N -0.872 107.923 108.800 -0.008 0.000 2.613 419 G HA2 0.468 4.429 3.960 0.001 0.000 0.303 419 G HA3 0.468 4.429 3.960 0.001 0.000 0.303 419 G C 0.629 175.602 174.900 0.122 0.000 1.312 419 G CA -0.408 44.714 45.100 0.036 0.000 1.036 419 G HN 0.705 nan 8.290 nan 0.000 0.513 420 V N -4.126 115.972 119.914 0.307 0.000 3.346 420 V HA 0.716 4.836 4.120 0.001 0.000 0.309 420 V C 0.468 176.653 176.094 0.152 0.000 1.457 420 V CA 0.428 62.835 62.300 0.178 0.000 1.069 420 V CB -0.551 31.350 31.823 0.131 0.000 0.944 420 V HN 1.385 nan 8.190 nan 0.000 0.449 421 A N -0.599 122.319 122.820 0.163 0.000 2.608 421 A HA 0.878 5.199 4.320 0.001 0.000 0.292 421 A C 0.885 178.525 177.584 0.094 0.000 1.066 421 A CA 0.033 52.141 52.037 0.118 0.000 0.676 421 A CB 0.911 19.975 19.000 0.105 0.000 1.277 421 A HN 0.953 nan 8.150 nan 0.000 0.413 422 A N 0.373 123.230 122.820 0.061 0.000 1.884 422 A HA -0.132 4.189 4.320 0.001 0.000 0.219 422 A C 1.971 179.569 177.584 0.024 0.000 1.197 422 A CA 2.056 54.112 52.037 0.031 0.000 0.637 422 A CB -0.945 18.068 19.000 0.022 0.000 0.827 422 A HN 1.383 nan 8.150 nan 0.000 0.450 423 L N -1.308 119.937 121.223 0.037 0.000 2.012 423 L HA -0.247 4.093 4.340 0.001 0.000 0.210 423 L C 2.707 179.602 176.870 0.042 0.000 1.073 423 L CA 2.443 57.298 54.840 0.025 0.000 0.748 423 L CB -0.560 41.513 42.059 0.023 0.000 0.891 423 L HN 0.755 nan 8.230 nan 0.000 0.431 424 H N -1.103 117.951 119.070 -0.027 0.000 2.357 424 H HA -0.129 4.427 4.556 0.001 0.000 0.301 424 H C 2.173 177.484 175.328 -0.029 0.000 1.082 424 H CA 1.548 57.574 56.048 -0.036 0.000 1.342 424 H CB 0.355 30.099 29.762 -0.029 0.000 1.389 424 H HN 0.337 nan 8.280 nan 0.000 0.511 425 S N 0.149 115.774 115.700 -0.125 0.000 2.419 425 S HA -0.143 4.328 4.470 0.001 0.000 0.233 425 S C 1.662 176.177 174.600 -0.141 0.000 1.016 425 S CA 1.375 59.478 58.200 -0.160 0.000 0.974 425 S CB -0.237 62.941 63.200 -0.037 0.000 0.786 425 S HN 0.562 nan 8.310 nan 0.000 0.492 426 D N 1.350 121.683 120.400 -0.112 0.000 2.117 426 D HA -0.038 4.602 4.640 0.001 0.000 0.198 426 D C 1.763 177.972 176.300 -0.153 0.000 0.982 426 D CA 0.887 54.814 54.000 -0.122 0.000 0.828 426 D CB -0.131 40.621 40.800 -0.080 0.000 0.967 426 D HN 0.291 nan 8.370 nan 0.000 0.464 427 L N -0.318 120.816 121.223 -0.147 0.000 2.141 427 L HA -0.084 4.256 4.340 0.001 0.000 0.209 427 L C 2.490 179.237 176.870 -0.206 0.000 1.094 427 L CA 0.219 54.967 54.840 -0.152 0.000 0.763 427 L CB -0.272 41.724 42.059 -0.105 0.000 0.908 427 L HN 0.046 nan 8.230 nan 0.000 0.437 428 V N -0.473 119.280 119.914 -0.268 0.000 2.287 428 V HA -0.279 3.842 4.120 0.001 0.000 0.248 428 V C 2.368 178.382 176.094 -0.134 0.000 1.053 428 V CA 1.773 63.941 62.300 -0.221 0.000 1.027 428 V CB -0.253 31.470 31.823 -0.167 0.000 0.646 428 V HN 0.216 nan 8.190 nan 0.000 0.447 429 V N -0.962 118.834 119.914 -0.196 0.000 2.548 429 V HA -0.156 3.964 4.120 0.001 0.000 0.249 429 V C 2.244 178.170 176.094 -0.281 0.000 1.055 429 V CA 1.799 63.878 62.300 -0.369 0.000 1.065 429 V CB -0.422 31.033 31.823 -0.612 0.000 0.681 429 V HN 0.513 nan 8.190 nan 0.000 0.462 430 K N -0.892 119.382 120.400 -0.209 0.000 2.276 430 K HA 0.034 4.355 4.320 0.001 0.000 0.198 430 K C 1.413 177.940 176.600 -0.122 0.000 1.052 430 K CA 0.917 57.114 56.287 -0.151 0.000 0.984 430 K CB 0.166 32.588 32.500 -0.129 0.000 0.836 430 K HN 0.354 nan 8.250 nan 0.000 0.490 431 D N -0.388 119.927 120.400 -0.142 0.000 2.463 431 D HA -0.002 4.639 4.640 0.001 0.000 0.237 431 D C 1.283 177.479 176.300 -0.172 0.000 1.013 431 D CA 0.340 54.258 54.000 -0.136 0.000 0.910 431 D CB 0.387 41.110 40.800 -0.128 0.000 1.080 431 D HN -0.049 nan 8.370 nan 0.000 0.498 432 L N -1.174 119.894 121.223 -0.259 0.000 2.349 432 L HA 0.303 4.643 4.340 0.001 0.000 0.200 432 L C -0.125 176.456 176.870 -0.481 0.000 1.064 432 L CA 1.201 55.765 54.840 -0.460 0.000 0.821 432 L CB 0.185 41.838 42.059 -0.676 0.000 1.027 432 L HN -0.176 nan 8.230 nan 0.000 0.476 433 F N 0.762 120.766 119.950 0.089 0.000 2.761 433 F HA 0.450 4.978 4.527 0.001 0.000 0.367 433 F C -1.718 174.111 175.800 0.049 0.000 1.386 433 F CA -2.531 55.585 58.000 0.193 0.000 1.177 433 F CB -0.432 38.887 39.000 0.532 0.000 1.092 433 F HN -0.003 nan 8.300 nan 0.000 0.517 434 P HA -0.179 nan 4.420 nan 0.000 0.215 434 P C 0.990 178.348 177.300 0.097 0.000 1.153 434 P CA 1.743 64.865 63.100 0.038 0.000 0.853 434 P CB 0.453 32.141 31.700 -0.020 0.000 0.788 435 E N -1.059 119.152 120.200 0.018 0.000 2.106 435 E HA -0.160 4.190 4.350 0.001 0.000 0.192 435 E C 2.115 178.815 176.600 0.167 0.000 0.984 435 E CA 1.078 57.487 56.400 0.016 0.000 0.806 435 E CB -0.994 28.500 29.700 -0.345 0.000 0.750 435 E HN 0.313 nan 8.360 nan 0.000 0.458 436 Y N 0.088 120.541 120.300 0.255 0.000 2.293 436 Y HA -0.146 4.405 4.550 0.001 0.000 0.291 436 Y C 2.375 178.533 175.900 0.431 0.000 1.137 436 Y CA 1.197 59.512 58.100 0.358 0.000 1.202 436 Y CB -0.594 38.219 38.460 0.589 0.000 0.990 436 Y HN 0.306 nan 8.280 nan 0.000 0.537 437 H N 0.163 119.378 119.070 0.242 0.000 2.353 437 H HA -0.179 4.377 4.556 0.001 0.000 0.300 437 H C 1.900 177.288 175.328 0.099 0.000 1.090 437 H CA 1.803 57.809 56.048 -0.071 0.000 1.327 437 H CB 0.092 29.577 29.762 -0.462 0.000 1.383 437 H HN 0.398 nan 8.280 nan 0.000 0.508 438 Q N 0.255 120.050 119.800 -0.009 0.000 2.096 438 Q HA -0.141 4.199 4.340 0.001 0.000 0.204 438 Q C 2.777 178.736 176.000 -0.070 0.000 0.982 438 Q CA 1.510 57.291 55.803 -0.037 0.000 0.850 438 Q CB 0.118 28.934 28.738 0.131 0.000 0.901 438 Q HN 0.470 nan 8.270 nan 0.000 0.422 439 L N -1.226 119.963 121.223 -0.057 0.000 2.027 439 L HA -0.138 4.203 4.340 0.001 0.000 0.206 439 L C 0.607 177.357 176.870 -0.200 0.000 1.074 439 L CA 0.718 55.360 54.840 -0.329 0.000 0.745 439 L CB 0.033 41.583 42.059 -0.848 0.000 0.898 439 L HN 0.350 nan 8.230 nan 0.000 0.433 440 W N -0.703 120.735 121.300 0.230 0.000 1.809 440 W HA 0.290 4.951 4.660 0.001 0.000 0.298 440 W C -1.943 174.713 176.519 0.228 0.000 0.905 440 W CA -1.764 55.717 57.345 0.226 0.000 1.872 440 W CB -0.338 29.291 29.460 0.282 0.000 2.092 440 W HN -0.013 nan 8.180 nan 0.000 0.403 441 P HA -0.166 nan 4.420 nan 0.000 0.217 441 P C 1.069 178.513 177.300 0.240 0.000 1.150 441 P CA 1.589 64.684 63.100 -0.008 0.000 0.832 441 P CB 0.410 31.995 31.700 -0.191 0.000 0.787 442 N N 0.367 119.194 118.700 0.211 0.000 2.571 442 N HA -0.088 4.653 4.740 0.001 0.000 0.189 442 N C 1.556 177.145 175.510 0.132 0.000 1.154 442 N CA 0.624 53.768 53.050 0.157 0.000 0.907 442 N CB -0.456 38.116 38.487 0.141 0.000 0.977 442 N HN 0.458 nan 8.380 nan 0.000 0.449 443 K N -0.237 120.297 120.400 0.224 0.000 2.426 443 K HA 0.055 4.375 4.320 0.001 0.000 0.193 443 K C -0.421 176.091 176.600 -0.147 0.000 1.028 443 K CA 0.110 56.446 56.287 0.081 0.000 1.047 443 K CB 0.125 32.624 32.500 -0.001 0.000 0.821 443 K HN -0.154 nan 8.250 nan 0.000 0.513 444 F N 1.829 121.691 119.950 -0.147 0.000 2.421 444 F HA 0.407 4.934 4.527 0.001 0.000 0.337 444 F C 0.523 176.034 175.800 -0.481 0.000 1.105 444 F CA -0.579 57.346 58.000 -0.126 0.000 1.049 444 F CB 1.108 40.163 39.000 0.093 0.000 1.139 444 F HN 0.005 nan 8.300 nan 0.000 0.479 445 H N 0.731 119.902 119.070 0.169 0.000 2.960 445 H HA 0.284 4.840 4.556 0.001 0.000 0.338 445 H C -1.250 174.074 175.328 -0.007 0.000 1.261 445 H CA -1.069 55.006 56.048 0.045 0.000 1.136 445 H CB 2.360 32.096 29.762 -0.042 0.000 1.875 445 H HN 0.499 nan 8.280 nan 0.000 0.550 446 N N 0.748 119.499 118.700 0.085 0.000 2.362 446 N HA 0.365 5.106 4.740 0.001 0.000 0.298 446 N C -1.559 173.874 175.510 -0.128 0.000 1.048 446 N CA -0.384 52.659 53.050 -0.012 0.000 0.858 446 N CB 1.908 40.391 38.487 -0.008 0.000 1.218 446 N HN 0.163 nan 8.380 nan 0.000 0.488 447 V N 2.391 122.179 119.914 -0.210 0.000 2.447 447 V HA 0.199 4.320 4.120 0.001 0.000 0.292 447 V C 0.019 176.055 176.094 -0.096 0.000 1.021 447 V CA -0.711 61.392 62.300 -0.329 0.000 0.850 447 V CB 1.364 32.613 31.823 -0.956 0.000 1.005 447 V HN 0.657 nan 8.190 nan 0.000 0.426 448 T N 4.819 119.358 114.554 -0.025 0.000 2.888 448 T HA 0.133 4.484 4.350 0.001 0.000 0.301 448 T C 0.620 175.422 174.700 0.170 0.000 1.001 448 T CA 0.061 62.210 62.100 0.082 0.000 1.147 448 T CB 0.096 69.013 68.868 0.081 0.000 0.931 448 T HN 0.628 nan 8.240 nan 0.000 0.541 449 N N 1.208 120.049 118.700 0.236 0.000 2.237 449 N HA 0.395 5.136 4.740 0.001 0.000 0.222 449 N C 0.516 176.217 175.510 0.318 0.000 1.311 449 N CA 0.385 53.622 53.050 0.312 0.000 0.880 449 N CB 0.352 38.963 38.487 0.207 0.000 1.106 449 N HN 0.870 nan 8.380 nan 0.000 0.435 450 G N -1.384 107.622 108.800 0.344 0.000 2.645 450 G HA2 0.634 4.595 3.960 0.001 0.000 0.292 450 G HA3 0.634 4.595 3.960 0.001 0.000 0.292 450 G C -1.411 173.633 174.900 0.240 0.000 1.415 450 G CA -0.636 44.651 45.100 0.311 0.000 0.785 450 G HN 0.590 nan 8.290 nan 0.000 0.483 451 I N -2.562 118.140 120.570 0.220 0.000 2.865 451 I HA 0.776 4.947 4.170 0.001 0.000 0.302 451 I C -0.182 176.104 176.117 0.282 0.000 1.140 451 I CA -0.924 60.498 61.300 0.203 0.000 1.021 451 I CB 2.283 40.309 38.000 0.042 0.000 1.233 451 I HN 0.510 nan 8.210 nan 0.000 0.427 452 T N 3.922 118.700 114.554 0.372 0.000 2.832 452 T HA 0.466 4.817 4.350 0.001 0.000 0.296 452 T C -1.827 173.032 174.700 0.266 0.000 0.968 452 T CA -1.483 60.773 62.100 0.260 0.000 1.107 452 T CB 0.883 69.850 68.868 0.165 0.000 0.916 452 T HN 0.605 nan 8.240 nan 0.000 0.517 453 P HA 0.094 nan 4.420 nan 0.000 0.230 453 P C 1.139 178.480 177.300 0.069 0.000 1.158 453 P CA 0.297 63.508 63.100 0.186 0.000 0.769 453 P CB 0.284 32.094 31.700 0.183 0.000 0.807 454 R N -0.249 120.211 120.500 -0.066 0.000 2.065 454 R HA 0.021 4.361 4.340 0.001 0.000 0.224 454 R C 2.446 178.666 176.300 -0.133 0.000 1.161 454 R CA 1.404 57.410 56.100 -0.156 0.000 0.923 454 R CB -1.184 29.015 30.300 -0.168 0.000 0.822 454 R HN -0.024 nan 8.270 nan 0.000 0.437 455 R N -0.723 119.637 120.500 -0.233 0.000 2.096 455 R HA -0.181 4.160 4.340 0.001 0.000 0.240 455 R C 1.577 177.629 176.300 -0.413 0.000 1.139 455 R CA 2.150 57.961 56.100 -0.482 0.000 0.952 455 R CB -0.288 29.472 30.300 -0.900 0.000 0.854 455 R HN 0.334 nan 8.270 nan 0.000 0.436 456 W N -1.046 120.266 121.300 0.020 0.000 3.197 456 W HA 0.249 4.910 4.660 0.001 0.000 0.274 456 W C 1.308 177.853 176.519 0.044 0.000 1.297 456 W CA -0.395 56.966 57.345 0.027 0.000 1.662 456 W CB 0.427 29.907 29.460 0.033 0.000 1.106 456 W HN 0.127 nan 8.180 nan 0.000 0.663 457 I N -1.549 119.156 120.570 0.225 0.000 3.746 457 I HA -0.016 4.155 4.170 0.001 0.000 0.262 457 I C 2.181 178.401 176.117 0.172 0.000 1.153 457 I CA 0.002 61.420 61.300 0.197 0.000 1.395 457 I CB -0.279 37.873 38.000 0.254 0.000 1.589 457 I HN -0.394 nan 8.210 nan 0.000 0.441 458 K N 1.065 121.594 120.400 0.216 0.000 2.063 458 K HA -0.266 4.055 4.320 0.001 0.000 0.208 458 K C 2.117 178.717 176.600 0.001 0.000 1.048 458 K CA 1.989 58.363 56.287 0.144 0.000 0.928 458 K CB 0.064 32.571 32.500 0.011 0.000 0.713 458 K HN 0.274 nan 8.250 nan 0.000 0.442 459 Q N -0.241 119.525 119.800 -0.057 0.000 2.107 459 Q HA -0.112 4.229 4.340 0.001 0.000 0.195 459 Q C 2.392 178.328 176.000 -0.105 0.000 0.964 459 Q CA 1.460 57.189 55.803 -0.124 0.000 0.833 459 Q CB 0.095 28.734 28.738 -0.165 0.000 0.910 459 Q HN 0.603 nan 8.270 nan 0.000 0.465 460 C N -0.070 119.181 119.300 -0.081 0.000 2.495 460 C HA 0.261 4.721 4.460 0.001 0.000 0.275 460 C C 1.082 176.064 174.990 -0.013 0.000 1.392 460 C CA -0.204 58.785 59.018 -0.048 0.000 1.766 460 C CB -0.596 27.134 27.740 -0.016 0.000 1.933 460 C HN 0.324 nan 8.230 nan 0.000 0.519 461 N N 1.438 120.138 118.700 0.000 0.000 2.757 461 N HA 0.314 5.055 4.740 0.001 0.000 0.296 461 N C -1.708 173.789 175.510 -0.021 0.000 1.874 461 N CA -1.787 51.254 53.050 -0.016 0.000 0.885 461 N CB 0.724 39.202 38.487 -0.015 0.000 1.242 461 N HN 0.332 nan 8.380 nan 0.000 0.488 462 P HA -0.056 nan 4.420 nan 0.000 0.219 462 P C 1.076 178.361 177.300 -0.024 0.000 1.150 462 P CA 0.687 63.771 63.100 -0.028 0.000 0.814 462 P CB 0.423 32.081 31.700 -0.070 0.000 0.787 463 A N 0.290 123.081 122.820 -0.048 0.000 1.902 463 A HA -0.168 4.153 4.320 0.001 0.000 0.217 463 A C 2.209 179.737 177.584 -0.094 0.000 1.181 463 A CA 1.572 53.569 52.037 -0.066 0.000 0.623 463 A CB -1.650 17.301 19.000 -0.081 0.000 0.818 463 A HN 0.184 nan 8.150 nan 0.000 0.443 464 L N -0.220 120.931 121.223 -0.119 0.000 2.083 464 L HA -0.033 4.307 4.340 0.001 0.000 0.209 464 L C 2.621 179.412 176.870 -0.132 0.000 1.083 464 L CA 2.140 56.880 54.840 -0.166 0.000 0.752 464 L CB -0.854 41.088 42.059 -0.196 0.000 0.899 464 L HN 0.339 nan 8.230 nan 0.000 0.433 465 A N -0.442 122.358 122.820 -0.033 0.000 1.902 465 A HA -0.100 4.220 4.320 0.001 0.000 0.217 465 A C 2.445 180.126 177.584 0.162 0.000 1.181 465 A CA 1.804 53.918 52.037 0.129 0.000 0.623 465 A CB -1.134 18.051 19.000 0.308 0.000 0.818 465 A HN 0.571 nan 8.150 nan 0.000 0.443 466 A N -0.728 122.136 122.820 0.074 0.000 1.930 466 A HA 0.031 4.352 4.320 0.001 0.000 0.217 466 A C 2.099 179.695 177.584 0.020 0.000 1.175 466 A CA 1.602 53.676 52.037 0.061 0.000 0.627 466 A CB -0.527 18.485 19.000 0.020 0.000 0.815 466 A HN 0.632 nan 8.150 nan 0.000 0.443 467 L N -0.109 121.087 121.223 -0.045 0.000 2.046 467 L HA -0.086 4.254 4.340 0.001 0.000 0.208 467 L C 2.247 179.070 176.870 -0.078 0.000 1.077 467 L CA 1.619 56.409 54.840 -0.085 0.000 0.747 467 L CB -0.465 41.496 42.059 -0.162 0.000 0.896 467 L HN 0.402 nan 8.230 nan 0.000 0.432 468 L N -0.777 120.358 121.223 -0.147 0.000 2.083 468 L HA -0.206 4.135 4.340 0.001 0.000 0.209 468 L C 2.217 179.056 176.870 -0.053 0.000 1.083 468 L CA 1.263 55.923 54.840 -0.301 0.000 0.752 468 L CB -0.885 40.593 42.059 -0.969 0.000 0.899 468 L HN 0.289 nan 8.230 nan 0.000 0.433 469 D N 0.124 120.638 120.400 0.189 0.000 2.144 469 D HA -0.198 4.442 4.640 0.001 0.000 0.199 469 D C 2.119 178.506 176.300 0.145 0.000 0.984 469 D CA 1.199 55.378 54.000 0.298 0.000 0.834 469 D CB -0.002 40.958 40.800 0.265 0.000 0.955 469 D HN 0.269 nan 8.370 nan 0.000 0.465 470 K N 0.423 120.867 120.400 0.073 0.000 2.155 470 K HA -0.006 4.315 4.320 0.001 0.000 0.203 470 K C 1.766 178.375 176.600 0.016 0.000 1.052 470 K CA 0.947 57.260 56.287 0.043 0.000 0.948 470 K CB 0.214 32.726 32.500 0.020 0.000 0.728 470 K HN -0.105 nan 8.250 nan 0.000 0.448 471 S N 0.498 116.161 115.700 -0.061 0.000 2.478 471 S HA 0.158 4.628 4.470 0.001 0.000 0.222 471 S C 0.479 175.050 174.600 -0.047 0.000 1.008 471 S CA 0.133 58.200 58.200 -0.222 0.000 0.928 471 S CB 0.098 62.946 63.200 -0.586 0.000 0.781 471 S HN 0.152 nan 8.310 nan 0.000 0.518 472 L N 0.985 122.230 121.223 0.036 0.000 2.334 472 L HA 0.430 4.770 4.340 0.001 0.000 0.273 472 L C 1.203 178.155 176.870 0.136 0.000 1.013 472 L CA -0.524 54.383 54.840 0.112 0.000 0.816 472 L CB 1.451 43.583 42.059 0.122 0.000 1.278 472 L HN -0.079 nan 8.230 nan 0.000 0.431 473 Q N 0.944 120.820 119.800 0.126 0.000 2.123 473 Q HA 0.007 4.347 4.340 0.001 0.000 0.199 473 Q C -0.109 175.954 176.000 0.107 0.000 0.966 473 Q CA 1.350 57.216 55.803 0.106 0.000 0.845 473 Q CB 0.447 29.236 28.738 0.085 0.000 0.907 473 Q HN 0.473 nan 8.270 nan 0.000 0.439 474 K N 0.318 120.792 120.400 0.124 0.000 2.258 474 K HA 0.232 4.553 4.320 0.001 0.000 0.236 474 K C -0.684 176.003 176.600 0.145 0.000 1.008 474 K CA -0.818 55.535 56.287 0.110 0.000 0.869 474 K CB 1.087 33.639 32.500 0.088 0.000 1.171 474 K HN -0.158 nan 8.250 nan 0.000 0.447 475 E N 1.865 122.112 120.200 0.077 0.000 2.465 475 E HA -0.105 4.245 4.350 0.001 0.000 0.260 475 E C -0.014 176.595 176.600 0.015 0.000 0.980 475 E CA 0.287 56.678 56.400 -0.015 0.000 0.927 475 E CB 0.275 29.953 29.700 -0.037 0.000 0.934 475 E HN 0.656 nan 8.360 nan 0.000 0.459 476 W N 3.611 124.924 121.300 0.022 0.000 2.940 476 W HA 0.386 5.047 4.660 0.001 0.000 0.297 476 W C 0.819 177.307 176.519 -0.052 0.000 1.149 476 W CA 0.316 57.661 57.345 -0.001 0.000 1.564 476 W CB -0.476 28.989 29.460 0.007 0.000 1.010 476 W HN 0.577 nan 8.180 nan 0.000 0.578 477 A N 2.799 125.056 122.820 -0.937 0.000 2.066 477 A HA -0.194 4.126 4.320 0.001 0.000 0.218 477 A C 1.391 178.597 177.584 -0.629 0.000 1.157 477 A CA 1.710 53.091 52.037 -1.093 0.000 0.670 477 A CB -0.903 17.149 19.000 -1.580 0.000 0.804 477 A HN 0.374 nan 8.150 nan 0.000 0.453 478 N N -1.392 117.077 118.700 -0.384 0.000 2.416 478 N HA 0.189 4.929 4.740 0.001 0.000 0.267 478 N C -0.937 174.548 175.510 -0.042 0.000 1.294 478 N CA 0.106 53.056 53.050 -0.166 0.000 0.891 478 N CB 0.440 38.893 38.487 -0.057 0.000 1.238 478 N HN 0.101 nan 8.380 nan 0.000 0.508 479 D N 0.226 120.625 120.400 -0.002 0.000 3.449 479 D HA 0.053 4.693 4.640 0.001 0.000 0.262 479 D C 0.163 176.534 176.300 0.117 0.000 1.343 479 D CA -0.385 53.647 54.000 0.053 0.000 0.787 479 D CB -0.011 40.819 40.800 0.050 0.000 1.412 479 D HN 0.008 nan 8.370 nan 0.000 0.652 480 L N 0.828 122.123 121.223 0.120 0.000 2.362 480 L HA 0.046 4.387 4.340 0.001 0.000 0.219 480 L C 1.331 178.274 176.870 0.122 0.000 1.134 480 L CA 1.526 56.469 54.840 0.172 0.000 0.807 480 L CB -0.059 42.093 42.059 0.153 0.000 0.927 480 L HN 0.167 nan 8.230 nan 0.000 0.447 481 D N -0.826 119.621 120.400 0.078 0.000 2.263 481 D HA -0.168 4.473 4.640 0.001 0.000 0.208 481 D C 1.913 178.251 176.300 0.063 0.000 0.971 481 D CA 0.590 54.619 54.000 0.049 0.000 0.867 481 D CB 0.079 40.895 40.800 0.026 0.000 0.929 481 D HN 0.427 nan 8.370 nan 0.000 0.492 482 Q N 0.003 119.863 119.800 0.100 0.000 2.291 482 Q HA -0.094 4.246 4.340 0.001 0.000 0.206 482 Q C 2.070 178.122 176.000 0.087 0.000 0.976 482 Q CA 0.286 56.155 55.803 0.110 0.000 0.875 482 Q CB -0.178 28.665 28.738 0.175 0.000 0.927 482 Q HN 0.298 nan 8.270 nan 0.000 0.450 483 L N 0.239 121.505 121.223 0.072 0.000 2.261 483 L HA -0.150 4.191 4.340 0.001 0.000 0.216 483 L C 2.112 178.992 176.870 0.017 0.000 1.114 483 L CA 0.893 55.743 54.840 0.016 0.000 0.777 483 L CB -0.705 41.357 42.059 0.005 0.000 0.910 483 L HN 0.176 nan 8.230 nan 0.000 0.440 484 I N -0.285 120.300 120.570 0.024 0.000 2.454 484 I HA -0.259 3.912 4.170 0.001 0.000 0.254 484 I C 1.927 178.052 176.117 0.013 0.000 1.156 484 I CA 1.143 62.449 61.300 0.011 0.000 1.433 484 I CB -0.351 37.652 38.000 0.004 0.000 1.082 484 I HN 0.333 nan 8.210 nan 0.000 0.432 485 N N 0.317 119.039 118.700 0.035 0.000 2.609 485 N HA -0.075 4.665 4.740 0.001 0.000 0.190 485 N C 1.574 177.160 175.510 0.127 0.000 1.157 485 N CA 0.721 53.806 53.050 0.059 0.000 0.918 485 N CB -0.036 38.503 38.487 0.087 0.000 0.978 485 N HN 0.459 nan 8.380 nan 0.000 0.448 486 L N 0.462 121.739 121.223 0.090 0.000 2.477 486 L HA 0.033 4.373 4.340 0.001 0.000 0.220 486 L C 1.833 178.714 176.870 0.018 0.000 1.106 486 L CA 0.338 55.249 54.840 0.118 0.000 0.851 486 L CB -0.024 42.026 42.059 -0.015 0.000 0.994 486 L HN 0.095 nan 8.230 nan 0.000 0.462 487 E N 1.057 121.236 120.200 -0.035 0.000 2.086 487 E HA -0.304 4.047 4.350 0.001 0.000 0.200 487 E C 2.013 178.532 176.600 -0.135 0.000 1.012 487 E CA 1.830 58.181 56.400 -0.082 0.000 0.812 487 E CB -0.113 29.543 29.700 -0.073 0.000 0.743 487 E HN 0.515 nan 8.360 nan 0.000 0.453 488 K N 0.571 120.855 120.400 -0.193 0.000 2.147 488 K HA -0.149 4.171 4.320 0.001 0.000 0.205 488 K C 1.716 178.074 176.600 -0.404 0.000 1.049 488 K CA 1.427 57.529 56.287 -0.309 0.000 0.936 488 K CB -0.362 31.893 32.500 -0.409 0.000 0.722 488 K HN 0.047 nan 8.250 nan 0.000 0.446 489 F N 1.809 121.524 119.950 -0.392 0.000 2.546 489 F HA 0.043 4.570 4.527 0.001 0.000 0.298 489 F C 2.467 177.959 175.800 -0.515 0.000 1.120 489 F CA 0.748 58.366 58.000 -0.637 0.000 1.456 489 F CB -0.220 37.957 39.000 -1.372 0.000 1.088 489 F HN 0.163 nan 8.300 nan 0.000 0.572 490 A N -0.598 122.117 122.820 -0.176 0.000 2.121 490 A HA -0.125 4.196 4.320 0.001 0.000 0.218 490 A C 1.805 179.365 177.584 -0.040 0.000 1.154 490 A CA 1.485 53.476 52.037 -0.077 0.000 0.679 490 A CB -0.452 18.489 19.000 -0.098 0.000 0.795 490 A HN 0.214 nan 8.150 nan 0.000 0.458 491 D N -0.295 120.058 120.400 -0.077 0.000 2.348 491 D HA 0.006 4.646 4.640 0.001 0.000 0.211 491 D C -0.273 176.016 176.300 -0.020 0.000 0.998 491 D CA 0.402 54.367 54.000 -0.058 0.000 0.873 491 D CB 0.031 40.775 40.800 -0.094 0.000 0.925 491 D HN 0.477 nan 8.370 nan 0.000 0.524 492 D N -0.122 120.290 120.400 0.020 0.000 2.359 492 D HA 0.330 4.970 4.640 0.001 0.000 0.230 492 D C 1.078 177.473 176.300 0.159 0.000 1.118 492 D CA -0.382 53.674 54.000 0.094 0.000 0.844 492 D CB 1.335 42.232 40.800 0.163 0.000 1.059 492 D HN -0.106 nan 8.370 nan 0.000 0.493 493 A N 5.290 128.172 122.820 0.104 0.000 1.940 493 A HA -0.207 4.113 4.320 0.001 0.000 0.219 493 A C 2.017 179.667 177.584 0.110 0.000 1.176 493 A CA 1.332 53.424 52.037 0.092 0.000 0.631 493 A CB -0.481 18.552 19.000 0.055 0.000 0.814 493 A HN 0.629 nan 8.150 nan 0.000 0.446 494 K N -1.301 119.174 120.400 0.125 0.000 2.155 494 K HA -0.130 4.190 4.320 0.001 0.000 0.203 494 K C 1.847 178.528 176.600 0.134 0.000 1.052 494 K CA 1.525 57.876 56.287 0.107 0.000 0.948 494 K CB -0.443 32.117 32.500 0.099 0.000 0.728 494 K HN 0.386 nan 8.250 nan 0.000 0.448 495 F N 2.467 122.464 119.950 0.077 0.000 2.113 495 F HA -0.067 4.461 4.527 0.001 0.000 0.297 495 F C 2.388 178.232 175.800 0.073 0.000 1.103 495 F CA 1.399 59.445 58.000 0.078 0.000 1.248 495 F CB -0.104 38.981 39.000 0.142 0.000 0.999 495 F HN -0.067 nan 8.300 nan 0.000 0.475 496 R N -0.038 120.638 120.500 0.294 0.000 2.117 496 R HA -0.238 4.102 4.340 0.001 0.000 0.243 496 R C 2.386 178.723 176.300 0.063 0.000 1.143 496 R CA 1.800 57.998 56.100 0.163 0.000 0.968 496 R CB -0.738 29.645 30.300 0.138 0.000 0.863 496 R HN 0.489 nan 8.270 nan 0.000 0.444 497 Q N 0.888 120.711 119.800 0.038 0.000 2.079 497 Q HA -0.203 4.137 4.340 0.001 0.000 0.200 497 Q C 1.922 177.898 176.000 -0.040 0.000 0.974 497 Q CA 1.536 57.343 55.803 0.006 0.000 0.840 497 Q CB 0.127 28.871 28.738 0.010 0.000 0.898 497 Q HN 0.468 nan 8.270 nan 0.000 0.430 498 Q N -0.905 118.834 119.800 -0.101 0.000 2.119 498 Q HA -0.192 4.149 4.340 0.001 0.000 0.201 498 Q C 1.828 177.714 176.000 -0.190 0.000 0.972 498 Q CA 1.525 57.230 55.803 -0.163 0.000 0.847 498 Q CB -0.196 28.403 28.738 -0.232 0.000 0.903 498 Q HN 0.428 nan 8.270 nan 0.000 0.433 499 Y N 1.272 121.335 120.300 -0.395 0.000 2.145 499 Y HA -0.244 4.307 4.550 0.001 0.000 0.286 499 Y C 2.478 178.287 175.900 -0.152 0.000 1.145 499 Y CA 1.764 59.667 58.100 -0.328 0.000 1.148 499 Y CB 0.012 38.264 38.460 -0.347 0.000 0.981 499 Y HN -0.091 nan 8.280 nan 0.000 0.507 500 R N 0.327 120.885 120.500 0.097 0.000 2.096 500 R HA -0.189 4.151 4.340 0.001 0.000 0.235 500 R C 2.070 178.339 176.300 -0.051 0.000 1.127 500 R CA 1.936 58.064 56.100 0.045 0.000 0.968 500 R CB -0.252 30.082 30.300 0.057 0.000 0.861 500 R HN 0.445 nan 8.270 nan 0.000 0.440 501 E N 0.173 120.332 120.200 -0.068 0.000 2.110 501 E HA -0.163 4.188 4.350 0.001 0.000 0.193 501 E C 1.922 178.457 176.600 -0.109 0.000 0.988 501 E CA 1.373 57.724 56.400 -0.081 0.000 0.804 501 E CB -0.008 29.649 29.700 -0.072 0.000 0.745 501 E HN 0.391 nan 8.360 nan 0.000 0.458 502 I N 0.657 121.134 120.570 -0.156 0.000 2.202 502 I HA -0.263 3.907 4.170 0.001 0.000 0.242 502 I C 2.347 178.354 176.117 -0.182 0.000 1.091 502 I CA 0.904 62.092 61.300 -0.186 0.000 1.368 502 I CB -0.113 37.727 38.000 -0.266 0.000 1.058 502 I HN -0.005 nan 8.210 nan 0.000 0.410 503 K N 0.759 121.033 120.400 -0.210 0.000 2.032 503 K HA -0.223 4.097 4.320 0.001 0.000 0.209 503 K C 2.157 178.677 176.600 -0.134 0.000 1.048 503 K CA 1.653 57.845 56.287 -0.158 0.000 0.927 503 K CB -0.242 32.195 32.500 -0.104 0.000 0.712 503 K HN 0.181 nan 8.250 nan 0.000 0.441 504 Q N -0.291 119.436 119.800 -0.123 0.000 2.084 504 Q HA -0.042 4.299 4.340 0.001 0.000 0.202 504 Q C 2.139 178.073 176.000 -0.110 0.000 0.978 504 Q CA 1.683 57.408 55.803 -0.130 0.000 0.844 504 Q CB -0.489 28.188 28.738 -0.101 0.000 0.898 504 Q HN 0.439 nan 8.270 nan 0.000 0.426 505 A N 1.566 124.334 122.820 -0.087 0.000 1.933 505 A HA -0.198 4.122 4.320 0.001 0.000 0.218 505 A C 1.812 179.367 177.584 -0.048 0.000 1.175 505 A CA 1.540 53.541 52.037 -0.060 0.000 0.628 505 A CB -0.419 18.547 19.000 -0.057 0.000 0.814 505 A HN 0.318 nan 8.150 nan 0.000 0.444 506 N N 0.043 118.705 118.700 -0.064 0.000 2.188 506 N HA -0.099 4.641 4.740 0.001 0.000 0.184 506 N C 1.548 177.052 175.510 -0.009 0.000 1.018 506 N CA 1.379 54.407 53.050 -0.037 0.000 0.858 506 N CB -0.298 38.160 38.487 -0.048 0.000 0.989 506 N HN 0.577 nan 8.380 nan 0.000 0.426 507 K N 0.325 120.676 120.400 -0.082 0.000 2.097 507 K HA 0.020 4.341 4.320 0.001 0.000 0.205 507 K C 1.922 178.555 176.600 0.054 0.000 1.050 507 K CA 0.525 56.739 56.287 -0.120 0.000 0.938 507 K CB -0.008 32.155 32.500 -0.563 0.000 0.718 507 K HN -0.059 nan 8.250 nan 0.000 0.442 508 V N 1.542 121.463 119.914 0.012 0.000 2.358 508 V HA -0.228 3.893 4.120 0.001 0.000 0.246 508 V C 2.203 178.352 176.094 0.092 0.000 1.047 508 V CA 1.615 63.947 62.300 0.052 0.000 1.035 508 V CB -0.388 31.445 31.823 0.016 0.000 0.658 508 V HN 0.283 nan 8.190 nan 0.000 0.452 509 R N -0.572 119.973 120.500 0.075 0.000 2.081 509 R HA -0.142 4.198 4.340 0.001 0.000 0.235 509 R C 2.220 178.607 176.300 0.146 0.000 1.131 509 R CA 1.468 57.622 56.100 0.089 0.000 0.960 509 R CB -0.581 29.748 30.300 0.049 0.000 0.856 509 R HN 0.380 nan 8.270 nan 0.000 0.436 510 L N 1.001 122.330 121.223 0.177 0.000 2.093 510 L HA -0.052 4.289 4.340 0.001 0.000 0.208 510 L C 2.281 179.315 176.870 0.274 0.000 1.085 510 L CA 1.777 56.767 54.840 0.250 0.000 0.755 510 L CB -0.634 41.603 42.059 0.297 0.000 0.904 510 L HN 0.109 nan 8.230 nan 0.000 0.435 511 A N -0.609 122.369 122.820 0.264 0.000 1.917 511 A HA -0.266 4.055 4.320 0.001 0.000 0.219 511 A C 2.154 179.828 177.584 0.151 0.000 1.182 511 A CA 2.070 54.228 52.037 0.201 0.000 0.633 511 A CB -0.639 18.484 19.000 0.206 0.000 0.819 511 A HN 0.639 nan 8.150 nan 0.000 0.448 512 E N -1.505 118.789 120.200 0.156 0.000 2.028 512 E HA -0.143 4.208 4.350 0.001 0.000 0.191 512 E C 1.783 178.482 176.600 0.166 0.000 0.988 512 E CA 1.201 57.682 56.400 0.134 0.000 0.799 512 E CB -0.319 29.456 29.700 0.124 0.000 0.755 512 E HN 0.653 nan 8.360 nan 0.000 0.447 513 F N 1.268 121.255 119.950 0.061 0.000 2.154 513 F HA -0.248 4.280 4.527 0.001 0.000 0.301 513 F C 2.049 177.884 175.800 0.058 0.000 1.087 513 F CA 1.125 59.161 58.000 0.060 0.000 1.274 513 F CB -0.182 38.860 39.000 0.070 0.000 1.009 513 F HN -0.176 nan 8.300 nan 0.000 0.485 514 V N 0.487 120.452 119.914 0.085 0.000 2.453 514 V HA -0.250 3.871 4.120 0.001 0.000 0.247 514 V C 2.452 178.512 176.094 -0.056 0.000 1.048 514 V CA 2.053 64.339 62.300 -0.024 0.000 1.049 514 V CB -0.546 31.304 31.823 0.045 0.000 0.672 514 V HN 0.358 nan 8.190 nan 0.000 0.457 515 K N 0.592 120.987 120.400 -0.008 0.000 2.026 515 K HA -0.186 4.134 4.320 0.001 0.000 0.208 515 K C 2.143 178.721 176.600 -0.037 0.000 1.048 515 K CA 2.129 58.411 56.287 -0.008 0.000 0.929 515 K CB -0.338 32.174 32.500 0.019 0.000 0.713 515 K HN 0.397 nan 8.250 nan 0.000 0.439 516 V N 0.127 120.007 119.914 -0.058 0.000 2.515 516 V HA -0.098 4.022 4.120 0.001 0.000 0.250 516 V C 1.944 177.957 176.094 -0.134 0.000 1.058 516 V CA 1.234 63.489 62.300 -0.074 0.000 1.064 516 V CB -0.453 31.341 31.823 -0.048 0.000 0.675 516 V HN 0.285 nan 8.190 nan 0.000 0.461 517 R N 1.105 121.458 120.500 -0.244 0.000 2.200 517 R HA 0.072 4.413 4.340 0.001 0.000 0.208 517 R C 2.113 178.346 176.300 -0.111 0.000 1.033 517 R CA 1.567 57.520 56.100 -0.246 0.000 1.000 517 R CB -0.484 29.547 30.300 -0.449 0.000 0.906 517 R HN 0.822 nan 8.270 nan 0.000 0.462 518 T N -5.714 108.799 114.554 -0.068 0.000 3.046 518 T HA 0.221 4.572 4.350 0.001 0.000 0.270 518 T C 1.293 175.994 174.700 0.001 0.000 0.920 518 T CA 0.668 62.764 62.100 -0.007 0.000 0.874 518 T CB 0.906 69.788 68.868 0.024 0.000 1.214 518 T HN 0.267 nan 8.240 nan 0.000 0.536 519 G N 1.980 110.773 108.800 -0.011 0.000 2.245 519 G HA2 -0.239 3.722 3.960 0.001 0.000 0.264 519 G HA3 -0.239 3.722 3.960 0.001 0.000 0.264 519 G C 0.072 174.975 174.900 0.004 0.000 0.985 519 G CA 0.303 45.403 45.100 -0.001 0.000 0.625 519 G HN 0.715 nan 8.290 nan 0.000 0.536 520 I N 1.192 121.765 120.570 0.004 0.000 2.529 520 I HA 0.302 4.473 4.170 0.001 0.000 0.284 520 I C 0.654 176.774 176.117 0.004 0.000 1.082 520 I CA -0.061 61.242 61.300 0.004 0.000 1.406 520 I CB 1.213 39.216 38.000 0.004 0.000 1.405 520 I HN 0.170 nan 8.210 nan 0.000 0.548 521 E N 7.407 127.612 120.200 0.007 0.000 2.081 521 E HA 0.410 4.760 4.350 0.001 0.000 0.276 521 E C -0.829 175.778 176.600 0.012 0.000 0.950 521 E CA -0.633 55.777 56.400 0.016 0.000 0.776 521 E CB 0.941 30.653 29.700 0.019 0.000 1.094 521 E HN 0.515 nan 8.360 nan 0.000 0.402 522 I N 1.354 121.935 120.570 0.017 0.000 2.525 522 I HA 0.498 4.669 4.170 0.001 0.000 0.301 522 I C -0.290 175.883 176.117 0.094 0.000 0.992 522 I CA -1.143 60.165 61.300 0.012 0.000 1.162 522 I CB 1.584 39.525 38.000 -0.099 0.000 1.332 522 I HN 0.268 nan 8.210 nan 0.000 0.458 523 N N 5.867 124.633 118.700 0.110 0.000 2.406 523 N HA 0.351 5.092 4.740 0.001 0.000 0.251 523 N C -1.948 173.709 175.510 0.245 0.000 1.069 523 N CA -2.430 50.701 53.050 0.135 0.000 0.947 523 N CB 1.003 39.538 38.487 0.079 0.000 1.111 523 N HN 0.402 nan 8.380 nan 0.000 0.497 524 P HA -0.024 nan 4.420 nan 0.000 0.234 524 P C 0.593 177.836 177.300 -0.095 0.000 1.167 524 P CA 0.750 63.866 63.100 0.027 0.000 0.763 524 P CB 0.445 32.141 31.700 -0.006 0.000 0.835 525 Q N -0.532 119.265 119.800 -0.006 0.000 2.331 525 Q HA 0.192 4.533 4.340 0.001 0.000 0.203 525 Q C 0.920 176.914 176.000 -0.011 0.000 0.944 525 Q CA 0.129 55.922 55.803 -0.016 0.000 0.892 525 Q CB -0.497 28.243 28.738 0.003 0.000 0.983 525 Q HN 0.134 nan 8.270 nan 0.000 0.482 526 A N 0.113 122.946 122.820 0.022 0.000 2.346 526 A HA 0.257 4.577 4.320 0.001 0.000 0.252 526 A C -0.292 177.212 177.584 -0.134 0.000 1.089 526 A CA -0.400 51.622 52.037 -0.025 0.000 0.797 526 A CB 0.078 19.108 19.000 0.050 0.000 1.047 526 A HN 0.351 nan 8.150 nan 0.000 0.494 527 I N 1.221 121.572 120.570 -0.365 0.000 2.517 527 I HA 0.038 4.208 4.170 0.001 0.000 0.285 527 I C -0.750 175.312 176.117 -0.092 0.000 1.106 527 I CA 0.142 61.137 61.300 -0.508 0.000 1.402 527 I CB 0.009 37.560 38.000 -0.747 0.000 1.399 527 I HN 0.340 nan 8.210 nan 0.000 0.535 528 F N 5.111 124.872 119.950 -0.316 0.000 2.405 528 F HA 0.162 4.690 4.527 0.001 0.000 0.358 528 F C 0.701 176.334 175.800 -0.278 0.000 1.151 528 F CA -0.833 57.018 58.000 -0.248 0.000 1.161 528 F CB -0.097 38.827 39.000 -0.127 0.000 1.245 528 F HN 0.390 nan 8.300 nan 0.000 0.545 529 D N 5.649 125.870 120.400 -0.297 0.000 2.412 529 D HA 0.316 4.956 4.640 0.001 0.000 0.224 529 D C -0.542 175.588 176.300 -0.283 0.000 1.093 529 D CA -0.080 53.697 54.000 -0.371 0.000 0.850 529 D CB 0.602 40.905 40.800 -0.827 0.000 1.046 529 D HN 0.345 nan 8.370 nan 0.000 0.507 530 I N 3.187 123.650 120.570 -0.179 0.000 2.389 530 I HA 0.208 4.379 4.170 0.001 0.000 0.288 530 I C -0.050 175.930 176.117 -0.228 0.000 0.999 530 I CA -0.680 60.497 61.300 -0.204 0.000 1.129 530 I CB 2.114 40.053 38.000 -0.102 0.000 1.288 530 I HN 0.189 nan 8.210 nan 0.000 0.444 531 Q N 8.277 127.848 119.800 -0.381 0.000 2.413 531 Q HA 0.555 4.895 4.340 0.001 0.000 0.258 531 Q C -1.274 174.517 176.000 -0.349 0.000 1.037 531 Q CA -0.549 55.047 55.803 -0.346 0.000 0.764 531 Q CB 1.267 29.762 28.738 -0.406 0.000 1.217 531 Q HN 0.716 nan 8.270 nan 0.000 0.490 532 I N 1.965 122.350 120.570 -0.308 0.000 2.439 532 I HA 0.681 4.852 4.170 0.001 0.000 0.285 532 I C -1.230 174.671 176.117 -0.360 0.000 1.021 532 I CA -0.731 60.267 61.300 -0.503 0.000 1.091 532 I CB 1.245 38.925 38.000 -0.533 0.000 1.242 532 I HN 0.501 nan 8.210 nan 0.000 0.439 533 K N 3.589 123.779 120.400 -0.350 0.000 2.991 533 K HA 0.333 4.653 4.320 0.001 0.000 0.309 533 K C -1.401 175.192 176.600 -0.011 0.000 1.122 533 K CA -1.129 55.114 56.287 -0.073 0.000 0.879 533 K CB 0.720 33.174 32.500 -0.076 0.000 1.418 533 K HN 0.610 nan 8.250 nan 0.000 0.369 534 R N 0.725 121.265 120.500 0.068 0.000 2.697 534 R HA 0.026 4.366 4.340 0.001 0.000 0.265 534 R C 0.102 176.419 176.300 0.028 0.000 1.009 534 R CA -0.606 55.547 56.100 0.088 0.000 1.099 534 R CB 0.125 30.487 30.300 0.103 0.000 0.965 534 R HN 0.357 nan 8.270 nan 0.000 0.428 535 L N 4.754 126.008 121.223 0.051 0.000 2.456 535 L HA 0.090 4.430 4.340 0.001 0.000 0.277 535 L C -0.414 176.403 176.870 -0.088 0.000 1.124 535 L CA 0.854 55.678 54.840 -0.028 0.000 0.880 535 L CB -0.273 41.776 42.059 -0.018 0.000 1.192 535 L HN 0.596 nan 8.230 nan 0.000 0.463 536 H N 3.563 122.482 119.070 -0.252 0.000 2.954 536 H HA 0.161 4.718 4.556 0.001 0.000 0.361 536 H C 0.528 175.650 175.328 -0.342 0.000 1.122 536 H CA -0.400 55.499 56.048 -0.248 0.000 1.217 536 H CB 1.492 31.072 29.762 -0.303 0.000 1.776 536 H HN 0.680 nan 8.280 nan 0.000 0.533 537 E N 2.342 122.582 120.200 0.066 0.000 2.114 537 E HA -0.284 4.067 4.350 0.001 0.000 0.199 537 E C 1.217 177.616 176.600 -0.334 0.000 1.008 537 E CA 2.211 58.540 56.400 -0.117 0.000 0.810 537 E CB -0.050 29.626 29.700 -0.040 0.000 0.739 537 E HN 0.618 nan 8.360 nan 0.000 0.456 538 Y N 0.323 120.285 120.300 -0.564 0.000 2.421 538 Y HA -0.012 4.539 4.550 0.001 0.000 0.292 538 Y C 1.460 177.212 175.900 -0.246 0.000 1.136 538 Y CA 0.833 58.517 58.100 -0.693 0.000 1.255 538 Y CB -0.157 37.958 38.460 -0.575 0.000 0.991 538 Y HN -0.166 nan 8.280 nan 0.000 0.552 539 K N 0.580 120.624 120.400 -0.594 0.000 2.365 539 K HA 0.123 4.444 4.320 0.001 0.000 0.197 539 K C 0.234 176.770 176.600 -0.106 0.000 1.042 539 K CA 0.441 56.520 56.287 -0.347 0.000 0.987 539 K CB 0.043 32.280 32.500 -0.437 0.000 0.779 539 K HN 0.170 nan 8.250 nan 0.000 0.484 540 R N 0.380 120.873 120.500 -0.012 0.000 3.423 540 R HA -0.225 4.116 4.340 0.001 0.000 0.271 540 R C 0.303 176.707 176.300 0.173 0.000 1.093 540 R CA 0.205 56.398 56.100 0.156 0.000 0.730 540 R CB -1.981 28.322 30.300 0.006 0.000 1.190 540 R HN 0.281 nan 8.270 nan 0.000 0.437 541 Q N -0.022 119.878 119.800 0.168 0.000 2.217 541 Q HA -0.209 4.131 4.340 0.001 0.000 0.209 541 Q C 2.047 178.183 176.000 0.226 0.000 0.988 541 Q CA 2.188 58.109 55.803 0.197 0.000 0.878 541 Q CB -0.244 28.557 28.738 0.105 0.000 0.909 541 Q HN 0.712 nan 8.270 nan 0.000 0.424 542 H N -1.077 117.984 119.070 -0.015 0.000 2.495 542 H HA -0.016 4.541 4.556 0.001 0.000 0.287 542 H C 1.824 177.174 175.328 0.036 0.000 1.033 542 H CA 0.884 56.919 56.048 -0.021 0.000 1.307 542 H CB -0.584 29.158 29.762 -0.033 0.000 1.401 542 H HN 0.284 nan 8.280 nan 0.000 0.555 543 L N 1.389 122.564 121.223 -0.080 0.000 2.044 543 L HA -0.050 4.291 4.340 0.001 0.000 0.205 543 L C 2.203 179.182 176.870 0.181 0.000 1.075 543 L CA 1.929 56.761 54.840 -0.012 0.000 0.747 543 L CB -1.101 40.872 42.059 -0.143 0.000 0.903 543 L HN 0.341 nan 8.230 nan 0.000 0.435 544 N N -0.802 117.997 118.700 0.166 0.000 2.036 544 N HA -0.317 4.424 4.740 0.001 0.000 0.199 544 N C 1.988 177.618 175.510 0.200 0.000 1.036 544 N CA 1.980 55.214 53.050 0.305 0.000 0.870 544 N CB -0.310 38.332 38.487 0.259 0.000 1.055 544 N HN 0.392 nan 8.380 nan 0.000 0.436 545 L N 0.963 122.262 121.223 0.125 0.000 2.079 545 L HA -0.091 4.250 4.340 0.001 0.000 0.210 545 L C 1.920 178.770 176.870 -0.034 0.000 1.081 545 L CA 1.392 56.214 54.840 -0.030 0.000 0.752 545 L CB -0.412 41.570 42.059 -0.128 0.000 0.896 545 L HN 0.319 nan 8.230 nan 0.000 0.433 546 L N -1.192 120.084 121.223 0.087 0.000 2.056 546 L HA -0.240 4.101 4.340 0.001 0.000 0.207 546 L C 2.689 179.741 176.870 0.304 0.000 1.078 546 L CA 1.571 56.507 54.840 0.161 0.000 0.749 546 L CB -1.027 41.150 42.059 0.196 0.000 0.901 546 L HN 0.506 nan 8.230 nan 0.000 0.433 547 H N 0.707 119.920 119.070 0.239 0.000 2.352 547 H HA -0.179 4.378 4.556 0.001 0.000 0.299 547 H C 2.340 177.596 175.328 -0.121 0.000 1.097 547 H CA 1.852 57.913 56.048 0.022 0.000 1.311 547 H CB 0.159 29.808 29.762 -0.188 0.000 1.377 547 H HN 0.287 nan 8.280 nan 0.000 0.504 548 I N 0.726 121.013 120.570 -0.471 0.000 2.226 548 I HA -0.308 3.863 4.170 0.001 0.000 0.245 548 I C 2.647 178.583 176.117 -0.302 0.000 1.100 548 I CA 0.864 61.779 61.300 -0.642 0.000 1.374 548 I CB -0.178 37.410 38.000 -0.686 0.000 1.057 548 I HN 0.250 nan 8.210 nan 0.000 0.413 549 L N 0.224 121.360 121.223 -0.144 0.000 2.083 549 L HA -0.201 4.140 4.340 0.001 0.000 0.209 549 L C 2.811 179.709 176.870 0.048 0.000 1.083 549 L CA 1.237 56.082 54.840 0.009 0.000 0.752 549 L CB -0.656 41.409 42.059 0.011 0.000 0.899 549 L HN 0.249 nan 8.230 nan 0.000 0.433 550 A N 0.122 122.959 122.820 0.028 0.000 1.877 550 A HA -0.185 4.136 4.320 0.001 0.000 0.216 550 A C 2.244 179.820 177.584 -0.013 0.000 1.186 550 A CA 1.401 53.475 52.037 0.062 0.000 0.620 550 A CB -0.744 18.360 19.000 0.173 0.000 0.822 550 A HN 0.331 nan 8.150 nan 0.000 0.443 551 L N -1.772 119.373 121.223 -0.130 0.000 2.042 551 L HA -0.232 4.109 4.340 0.001 0.000 0.210 551 L C 2.664 179.555 176.870 0.036 0.000 1.076 551 L CA 2.003 56.789 54.840 -0.090 0.000 0.749 551 L CB -0.699 41.252 42.059 -0.181 0.000 0.893 551 L HN 0.616 nan 8.230 nan 0.000 0.432 552 Y N 1.259 121.498 120.300 -0.102 0.000 2.145 552 Y HA -0.307 4.243 4.550 0.001 0.000 0.286 552 Y C 2.680 178.569 175.900 -0.019 0.000 1.145 552 Y CA 1.836 59.905 58.100 -0.051 0.000 1.148 552 Y CB -0.460 37.970 38.460 -0.050 0.000 0.981 552 Y HN 0.071 nan 8.280 nan 0.000 0.507 553 K N 0.393 120.747 120.400 -0.076 0.000 2.057 553 K HA -0.264 4.057 4.320 0.001 0.000 0.207 553 K C 2.234 178.782 176.600 -0.087 0.000 1.049 553 K CA 1.840 58.034 56.287 -0.154 0.000 0.931 553 K CB -0.368 32.089 32.500 -0.072 0.000 0.714 553 K HN 0.509 nan 8.250 nan 0.000 0.440 554 E N 0.640 120.822 120.200 -0.030 0.000 2.085 554 E HA -0.221 4.130 4.350 0.001 0.000 0.194 554 E C 2.025 178.617 176.600 -0.013 0.000 0.994 554 E CA 1.646 58.038 56.400 -0.014 0.000 0.801 554 E CB -0.220 29.480 29.700 0.000 0.000 0.743 554 E HN 0.525 nan 8.360 nan 0.000 0.453 555 I N -1.007 119.565 120.570 0.004 0.000 2.617 555 I HA -0.076 4.094 4.170 0.001 0.000 0.256 555 I C 2.205 178.321 176.117 -0.002 0.000 1.167 555 I CA 0.830 62.143 61.300 0.021 0.000 1.469 555 I CB -0.039 37.999 38.000 0.063 0.000 1.098 555 I HN -0.076 nan 8.210 nan 0.000 0.436 556 R N 0.819 121.285 120.500 -0.058 0.000 2.092 556 R HA -0.059 4.282 4.340 0.001 0.000 0.231 556 R C 1.401 177.658 176.300 -0.072 0.000 1.119 556 R CA 1.695 57.732 56.100 -0.104 0.000 0.970 556 R CB -0.182 29.958 30.300 -0.267 0.000 0.864 556 R HN 0.557 nan 8.270 nan 0.000 0.440 557 E N -0.413 119.748 120.200 -0.065 0.000 2.476 557 E HA 0.047 4.397 4.350 0.001 0.000 0.196 557 E C -0.578 176.006 176.600 -0.027 0.000 1.029 557 E CA -0.154 56.218 56.400 -0.047 0.000 0.896 557 E CB 0.446 30.117 29.700 -0.049 0.000 1.012 557 E HN 0.028 nan 8.360 nan 0.000 0.475 558 N N 0.323 119.012 118.700 -0.019 0.000 2.875 558 N HA 0.063 4.804 4.740 0.001 0.000 0.253 558 N C -2.404 173.104 175.510 -0.003 0.000 1.296 558 N CA -1.393 51.652 53.050 -0.009 0.000 0.816 558 N CB 1.194 39.678 38.487 -0.006 0.000 1.504 558 N HN -0.220 nan 8.380 nan 0.000 0.582 559 P HA -0.071 nan 4.420 nan 0.000 0.225 559 P C 0.496 177.799 177.300 0.005 0.000 1.148 559 P CA 1.051 64.153 63.100 0.004 0.000 0.779 559 P CB 0.639 32.340 31.700 0.003 0.000 0.780 560 Q N -0.615 119.187 119.800 0.003 0.000 2.360 560 Q HA 0.298 4.638 4.340 0.001 0.000 0.202 560 Q C 0.825 176.828 176.000 0.004 0.000 0.915 560 Q CA -0.141 55.665 55.803 0.004 0.000 0.943 560 Q CB -0.405 28.335 28.738 0.002 0.000 1.064 560 Q HN 0.161 nan 8.270 nan 0.000 0.511 561 A N 0.698 123.520 122.820 0.004 0.000 2.586 561 A HA -0.123 4.198 4.320 0.001 0.000 0.231 561 A C 0.699 178.286 177.584 0.005 0.000 1.055 561 A CA 0.373 52.412 52.037 0.004 0.000 0.756 561 A CB 0.173 19.176 19.000 0.005 0.000 0.988 561 A HN 0.181 nan 8.150 nan 0.000 0.509 562 D N 0.338 120.740 120.400 0.004 0.000 2.312 562 D HA -0.032 4.609 4.640 0.001 0.000 0.211 562 D C 0.534 176.834 176.300 0.002 0.000 0.964 562 D CA 0.521 54.524 54.000 0.004 0.000 0.877 562 D CB 0.014 40.818 40.800 0.006 0.000 0.924 562 D HN 0.422 nan 8.370 nan 0.000 0.515 563 R N 0.517 121.017 120.500 -0.001 0.000 2.566 563 R HA -0.013 4.327 4.340 0.001 0.000 0.273 563 R C 0.318 176.607 176.300 -0.019 0.000 0.981 563 R CA -0.109 55.985 56.100 -0.010 0.000 1.091 563 R CB -0.386 29.911 30.300 -0.006 0.000 0.924 563 R HN -0.006 nan 8.270 nan 0.000 0.411 564 V N 3.439 123.329 119.914 -0.039 0.000 2.715 564 V HA 0.247 4.368 4.120 0.001 0.000 0.299 564 V C -1.930 174.110 176.094 -0.090 0.000 1.054 564 V CA -1.743 60.522 62.300 -0.059 0.000 1.077 564 V CB 0.806 32.594 31.823 -0.058 0.000 0.972 564 V HN 0.591 nan 8.190 nan 0.000 0.484 565 P HA 0.286 nan 4.420 nan 0.000 0.266 565 P C -0.875 176.341 177.300 -0.141 0.000 1.195 565 P CA 0.274 63.331 63.100 -0.072 0.000 0.768 565 P CB 0.275 31.951 31.700 -0.038 0.000 0.838 566 R N 1.266 121.690 120.500 -0.128 0.000 2.750 566 R HA 0.633 4.974 4.340 0.001 0.000 0.281 566 R C -1.321 174.864 176.300 -0.192 0.000 0.972 566 R CA -1.109 54.844 56.100 -0.246 0.000 0.912 566 R CB 2.052 32.121 30.300 -0.385 0.000 1.187 566 R HN 0.171 nan 8.270 nan 0.000 0.464 567 V N 3.311 123.056 119.914 -0.281 0.000 2.378 567 V HA 0.382 4.502 4.120 0.001 0.000 0.288 567 V C -0.814 175.028 176.094 -0.421 0.000 1.016 567 V CA -0.603 61.521 62.300 -0.293 0.000 0.840 567 V CB 1.143 32.689 31.823 -0.462 0.000 0.994 567 V HN 0.540 nan 8.190 nan 0.000 0.431 568 F N 5.562 125.395 119.950 -0.196 0.000 2.391 568 F HA 0.587 5.114 4.527 0.001 0.000 0.359 568 F C 0.008 175.667 175.800 -0.234 0.000 1.122 568 F CA -0.305 57.563 58.000 -0.220 0.000 1.120 568 F CB 1.210 40.125 39.000 -0.142 0.000 1.142 568 F HN 0.256 nan 8.300 nan 0.000 0.483 569 L N 4.621 125.718 121.223 -0.210 0.000 2.317 569 L HA 0.532 4.873 4.340 0.001 0.000 0.281 569 L C -0.904 175.732 176.870 -0.390 0.000 1.024 569 L CA -0.400 54.330 54.840 -0.183 0.000 0.810 569 L CB 1.115 43.071 42.059 -0.172 0.000 1.240 569 L HN 0.380 nan 8.230 nan 0.000 0.427 570 F N 0.530 120.325 119.950 -0.258 0.000 2.532 570 F HA 0.784 5.311 4.527 0.001 0.000 0.321 570 F C 0.600 176.170 175.800 -0.383 0.000 1.089 570 F CA -0.705 56.996 58.000 -0.499 0.000 0.926 570 F CB 2.355 40.694 39.000 -1.101 0.000 1.168 570 F HN 0.399 nan 8.300 nan 0.000 0.459 571 G N 1.204 109.879 108.800 -0.208 0.000 2.707 571 G HA2 0.768 4.728 3.960 0.001 0.000 0.299 571 G HA3 0.768 4.728 3.960 0.001 0.000 0.299 571 G C -1.897 172.875 174.900 -0.213 0.000 1.442 571 G CA -0.865 44.148 45.100 -0.146 0.000 1.009 571 G HN 0.995 nan 8.290 nan 0.000 0.515 572 A N 2.221 125.191 122.820 0.251 0.000 2.572 572 A HA 0.670 4.990 4.320 0.001 0.000 0.303 572 A C -0.925 176.898 177.584 0.398 0.000 1.059 572 A CA -0.823 51.379 52.037 0.275 0.000 0.788 572 A CB 1.114 20.238 19.000 0.206 0.000 1.282 572 A HN 0.611 nan 8.150 nan 0.000 0.397 573 K N 0.971 121.538 120.400 0.279 0.000 2.207 573 K HA 0.763 5.084 4.320 0.001 0.000 0.255 573 K C -0.110 176.642 176.600 0.254 0.000 0.941 573 K CA -0.438 56.009 56.287 0.266 0.000 0.825 573 K CB 2.439 34.974 32.500 0.058 0.000 1.119 573 K HN 0.983 nan 8.250 nan 0.000 0.430 574 A N 1.611 124.614 122.820 0.304 0.000 2.290 574 A HA 0.600 4.921 4.320 0.001 0.000 0.310 574 A C -0.150 177.609 177.584 0.290 0.000 1.202 574 A CA -0.639 51.505 52.037 0.178 0.000 0.837 574 A CB 0.747 19.768 19.000 0.036 0.000 1.139 574 A HN 0.810 nan 8.150 nan 0.000 0.509 575 A N 4.357 127.330 122.820 0.256 0.000 2.587 575 A HA 0.396 4.716 4.320 0.001 0.000 0.235 575 A C -0.963 176.699 177.584 0.130 0.000 1.044 575 A CA -0.361 51.825 52.037 0.250 0.000 0.754 575 A CB -0.223 18.891 19.000 0.190 0.000 0.968 575 A HN 0.661 nan 8.150 nan 0.000 0.509 576 P HA -0.109 nan 4.420 nan 0.000 0.220 576 P C 1.263 178.473 177.300 -0.150 0.000 1.148 576 P CA 1.884 64.923 63.100 -0.102 0.000 0.803 576 P CB 0.012 31.639 31.700 -0.122 0.000 0.782 577 G N -2.386 106.311 108.800 -0.171 0.000 2.985 577 G HA2 -0.142 3.818 3.960 0.001 0.000 0.209 577 G HA3 -0.142 3.818 3.960 0.001 0.000 0.209 577 G C 0.067 174.603 174.900 -0.607 0.000 1.165 577 G CA -0.046 44.809 45.100 -0.409 0.000 0.776 577 G HN 0.164 nan 8.290 nan 0.000 0.541 578 Y N 2.321 122.361 120.300 -0.434 0.000 2.632 578 Y HA 0.365 4.915 4.550 0.001 0.000 0.336 578 Y C 0.670 176.429 175.900 -0.235 0.000 1.237 578 Y CA -2.339 55.567 58.100 -0.323 0.000 1.595 578 Y CB -0.527 37.816 38.460 -0.194 0.000 1.508 578 Y HN 0.238 nan 8.280 nan 0.000 0.480 579 Y N 1.755 122.185 120.300 0.218 0.000 2.224 579 Y HA -0.242 4.308 4.550 0.001 0.000 0.289 579 Y C 2.101 178.029 175.900 0.046 0.000 1.146 579 Y CA 1.085 59.238 58.100 0.088 0.000 1.182 579 Y CB -0.738 37.764 38.460 0.069 0.000 0.983 579 Y HN 0.472 nan 8.280 nan 0.000 0.524 580 L N 0.735 122.095 121.223 0.229 0.000 1.989 580 L HA -0.157 4.184 4.340 0.001 0.000 0.211 580 L C 2.409 179.184 176.870 -0.159 0.000 1.071 580 L CA 2.018 56.906 54.840 0.080 0.000 0.749 580 L CB -1.336 40.817 42.059 0.157 0.000 0.890 580 L HN 0.149 nan 8.230 nan 0.000 0.431 581 A N -0.497 121.990 122.820 -0.554 0.000 1.892 581 A HA -0.299 4.022 4.320 0.001 0.000 0.218 581 A C 2.355 179.780 177.584 -0.265 0.000 1.188 581 A CA 2.359 53.995 52.037 -0.668 0.000 0.631 581 A CB -0.660 17.603 19.000 -1.228 0.000 0.822 581 A HN 0.570 nan 8.150 nan 0.000 0.447 582 K N -0.641 119.674 120.400 -0.142 0.000 2.283 582 K HA -0.083 4.238 4.320 0.001 0.000 0.202 582 K C 1.909 178.537 176.600 0.046 0.000 1.048 582 K CA 1.018 57.292 56.287 -0.022 0.000 0.948 582 K CB -0.196 32.314 32.500 0.016 0.000 0.742 582 K HN 0.611 nan 8.250 nan 0.000 0.458 583 N N 0.901 119.645 118.700 0.074 0.000 2.300 583 N HA -0.066 4.675 4.740 0.001 0.000 0.179 583 N C 1.700 177.303 175.510 0.155 0.000 1.016 583 N CA 0.586 53.754 53.050 0.196 0.000 0.876 583 N CB 0.169 38.772 38.487 0.193 0.000 0.979 583 N HN 0.115 nan 8.380 nan 0.000 0.432 584 I N 1.019 121.586 120.570 -0.005 0.000 2.252 584 I HA -0.218 3.953 4.170 0.001 0.000 0.245 584 I C 2.150 178.220 176.117 -0.079 0.000 1.102 584 I CA 0.677 61.921 61.300 -0.092 0.000 1.385 584 I CB -0.078 37.801 38.000 -0.201 0.000 1.064 584 I HN 0.126 nan 8.210 nan 0.000 0.414 585 I N 0.097 120.656 120.570 -0.018 0.000 2.163 585 I HA -0.351 3.820 4.170 0.001 0.000 0.243 585 I C 2.535 178.615 176.117 -0.061 0.000 1.085 585 I CA 1.573 62.869 61.300 -0.007 0.000 1.347 585 I CB -0.438 37.541 38.000 -0.035 0.000 1.044 585 I HN 0.197 nan 8.210 nan 0.000 0.408 586 F N 2.017 121.891 119.950 -0.125 0.000 2.095 586 F HA -0.237 4.291 4.527 0.001 0.000 0.298 586 F C 2.488 178.285 175.800 -0.004 0.000 1.104 586 F CA 1.284 59.255 58.000 -0.048 0.000 1.232 586 F CB -0.806 38.242 39.000 0.081 0.000 0.987 586 F HN 0.025 nan 8.300 nan 0.000 0.475 587 A N 0.726 123.436 122.820 -0.183 0.000 1.892 587 A HA -0.205 4.115 4.320 0.001 0.000 0.218 587 A C 2.388 179.618 177.584 -0.590 0.000 1.188 587 A CA 2.228 53.804 52.037 -0.769 0.000 0.631 587 A CB -1.305 17.186 19.000 -0.848 0.000 0.822 587 A HN 0.492 nan 8.150 nan 0.000 0.447 588 I N -0.126 120.199 120.570 -0.408 0.000 2.179 588 I HA -0.248 3.922 4.170 0.001 0.000 0.242 588 I C 2.146 178.065 176.117 -0.330 0.000 1.088 588 I CA 1.249 62.298 61.300 -0.419 0.000 1.357 588 I CB -0.411 37.278 38.000 -0.519 0.000 1.051 588 I HN 0.295 nan 8.210 nan 0.000 0.409 589 N N 0.616 119.152 118.700 -0.274 0.000 2.244 589 N HA -0.130 4.611 4.740 0.001 0.000 0.183 589 N C 1.783 177.174 175.510 -0.199 0.000 1.016 589 N CA 0.991 53.892 53.050 -0.248 0.000 0.866 589 N CB -0.095 38.171 38.487 -0.369 0.000 0.980 589 N HN 0.228 nan 8.380 nan 0.000 0.430 590 K N 0.693 120.952 120.400 -0.236 0.000 2.062 590 K HA 0.076 4.397 4.320 0.001 0.000 0.205 590 K C 2.102 178.599 176.600 -0.172 0.000 1.051 590 K CA 0.326 56.516 56.287 -0.161 0.000 0.941 590 K CB -0.742 31.662 32.500 -0.159 0.000 0.719 590 K HN -0.007 nan 8.250 nan 0.000 0.440 591 V N 1.685 121.351 119.914 -0.413 0.000 2.343 591 V HA -0.215 3.905 4.120 0.001 0.000 0.247 591 V C 2.419 178.297 176.094 -0.360 0.000 1.051 591 V CA 1.900 63.822 62.300 -0.630 0.000 1.036 591 V CB -0.809 30.514 31.823 -0.833 0.000 0.654 591 V HN 0.254 nan 8.190 nan 0.000 0.451 592 A N -0.066 122.591 122.820 -0.271 0.000 1.908 592 A HA -0.271 4.050 4.320 0.001 0.000 0.218 592 A C 1.981 179.489 177.584 -0.126 0.000 1.181 592 A CA 2.111 54.041 52.037 -0.180 0.000 0.627 592 A CB -0.647 18.289 19.000 -0.107 0.000 0.818 592 A HN 0.532 nan 8.150 nan 0.000 0.445 593 D N -0.474 119.872 120.400 -0.090 0.000 2.144 593 D HA -0.090 4.551 4.640 0.001 0.000 0.199 593 D C 2.027 178.317 176.300 -0.018 0.000 0.984 593 D CA 1.274 55.252 54.000 -0.037 0.000 0.834 593 D CB -0.318 40.476 40.800 -0.009 0.000 0.955 593 D HN 0.225 nan 8.370 nan 0.000 0.465 594 V N 0.856 120.773 119.914 0.005 0.000 2.283 594 V HA -0.173 3.947 4.120 0.001 0.000 0.243 594 V C 2.490 178.544 176.094 -0.066 0.000 1.039 594 V CA 0.998 63.334 62.300 0.060 0.000 1.016 594 V CB -0.262 31.735 31.823 0.290 0.000 0.650 594 V HN 0.165 nan 8.190 nan 0.000 0.449 595 I N 0.733 121.147 120.570 -0.260 0.000 2.226 595 I HA -0.229 3.942 4.170 0.001 0.000 0.245 595 I C 2.146 178.144 176.117 -0.198 0.000 1.100 595 I CA 1.467 62.497 61.300 -0.449 0.000 1.374 595 I CB -0.471 37.180 38.000 -0.582 0.000 1.057 595 I HN 0.364 nan 8.210 nan 0.000 0.413 596 N N 0.746 119.372 118.700 -0.123 0.000 2.459 596 N HA -0.083 4.657 4.740 0.001 0.000 0.181 596 N C 0.950 176.441 175.510 -0.031 0.000 1.046 596 N CA 0.835 53.847 53.050 -0.064 0.000 0.904 596 N CB -0.291 38.170 38.487 -0.043 0.000 0.964 596 N HN 0.408 nan 8.380 nan 0.000 0.444 597 N N 0.505 119.192 118.700 -0.022 0.000 2.214 597 N HA -0.028 4.713 4.740 0.001 0.000 0.214 597 N C -0.642 174.881 175.510 0.023 0.000 1.132 597 N CA -0.012 53.040 53.050 0.004 0.000 0.856 597 N CB 0.693 39.186 38.487 0.010 0.000 1.020 597 N HN 0.121 nan 8.380 nan 0.000 0.509 598 D N 2.127 122.545 120.400 0.029 0.000 2.380 598 D HA 0.141 4.781 4.640 0.001 0.000 0.230 598 D C -1.369 174.967 176.300 0.060 0.000 1.154 598 D CA -1.992 52.052 54.000 0.074 0.000 0.859 598 D CB 1.776 42.670 40.800 0.156 0.000 1.045 598 D HN 0.034 nan 8.370 nan 0.000 0.495 599 P HA -0.156 nan 4.420 nan 0.000 0.219 599 P C 1.605 178.929 177.300 0.041 0.000 1.146 599 P CA 0.224 63.346 63.100 0.036 0.000 0.808 599 P CB 0.499 32.216 31.700 0.028 0.000 0.779 600 L N -0.673 120.583 121.223 0.054 0.000 2.275 600 L HA -0.086 4.255 4.340 0.001 0.000 0.215 600 L C 2.296 179.206 176.870 0.068 0.000 1.119 600 L CA 1.400 56.272 54.840 0.054 0.000 0.790 600 L CB -0.788 41.305 42.059 0.057 0.000 0.919 600 L HN -0.209 nan 8.230 nan 0.000 0.443 601 V N -1.061 118.906 119.914 0.087 0.000 2.341 601 V HA 0.257 4.377 4.120 0.001 0.000 0.240 601 V C 1.963 178.084 176.094 0.044 0.000 1.035 601 V CA 0.941 63.290 62.300 0.083 0.000 1.033 601 V CB -1.145 30.733 31.823 0.091 0.000 0.678 601 V HN 0.594 nan 8.190 nan 0.000 0.464 602 G N 0.707 109.526 108.800 0.032 0.000 2.591 602 G HA2 -0.380 3.581 3.960 0.001 0.000 0.298 602 G HA3 -0.380 3.581 3.960 0.001 0.000 0.298 602 G C 0.420 175.328 174.900 0.014 0.000 1.195 602 G CA 0.639 45.751 45.100 0.020 0.000 0.989 602 G HN 0.403 nan 8.290 nan 0.000 0.551 603 D N 0.991 121.399 120.400 0.014 0.000 2.336 603 D HA 0.165 4.806 4.640 0.001 0.000 0.229 603 D C 2.240 178.545 176.300 0.008 0.000 1.061 603 D CA 0.485 54.492 54.000 0.011 0.000 0.875 603 D CB 0.141 40.950 40.800 0.015 0.000 0.904 603 D HN 0.521 nan 8.370 nan 0.000 0.525 604 K N -0.428 119.980 120.400 0.013 0.000 2.228 604 K HA 0.046 4.367 4.320 0.001 0.000 0.202 604 K C 0.239 176.847 176.600 0.014 0.000 1.051 604 K CA 0.422 56.716 56.287 0.013 0.000 0.960 604 K CB 0.723 33.239 32.500 0.026 0.000 0.743 604 K HN -0.032 nan 8.250 nan 0.000 0.458 605 L N 0.584 121.816 121.223 0.015 0.000 2.614 605 L HA 0.284 4.625 4.340 0.001 0.000 0.264 605 L C -1.906 174.958 176.870 -0.010 0.000 0.940 605 L CA -0.399 54.454 54.840 0.022 0.000 0.903 605 L CB 1.616 43.694 42.059 0.032 0.000 1.306 605 L HN -0.246 nan 8.230 nan 0.000 0.410 606 K N 3.614 124.016 120.400 0.004 0.000 2.385 606 K HA 0.841 5.162 4.320 0.001 0.000 0.248 606 K C -1.586 175.036 176.600 0.035 0.000 0.955 606 K CA -0.805 55.472 56.287 -0.017 0.000 0.816 606 K CB 2.898 35.374 32.500 -0.039 0.000 1.250 606 K HN 0.324 nan 8.250 nan 0.000 0.434 607 V N 1.649 121.573 119.914 0.016 0.000 2.482 607 V HA 0.325 4.445 4.120 0.001 0.000 0.295 607 V C -0.757 175.384 176.094 0.078 0.000 1.026 607 V CA -0.945 61.403 62.300 0.079 0.000 0.856 607 V CB 1.883 33.716 31.823 0.016 0.000 1.001 607 V HN 0.421 nan 8.190 nan 0.000 0.424 608 V N 5.562 125.549 119.914 0.121 0.000 2.376 608 V HA 0.420 4.541 4.120 0.001 0.000 0.287 608 V C -0.748 175.499 176.094 0.256 0.000 1.015 608 V CA -0.420 61.958 62.300 0.130 0.000 0.834 608 V CB 1.624 33.471 31.823 0.040 0.000 1.001 608 V HN 0.705 nan 8.190 nan 0.000 0.428 609 F N 6.039 126.067 119.950 0.131 0.000 2.334 609 F HA 0.488 5.016 4.527 0.001 0.000 0.365 609 F C 0.284 176.258 175.800 0.289 0.000 1.124 609 F CA -1.252 56.862 58.000 0.190 0.000 1.166 609 F CB 0.528 39.520 39.000 -0.013 0.000 1.355 609 F HN 0.324 nan 8.300 nan 0.000 0.532 610 L N 8.146 129.709 121.223 0.567 0.000 2.562 610 L HA 0.137 4.477 4.340 0.001 0.000 0.271 610 L C -1.802 175.346 176.870 0.463 0.000 1.167 610 L CA -1.543 53.547 54.840 0.417 0.000 0.917 610 L CB 0.117 42.382 42.059 0.343 0.000 1.187 610 L HN 0.375 nan 8.230 nan 0.000 0.482 611 P HA 0.054 nan 4.420 nan 0.000 0.274 611 P C -0.295 176.998 177.300 -0.011 0.000 1.231 611 P CA -0.110 62.893 63.100 -0.161 0.000 0.790 611 P CB 0.845 32.208 31.700 -0.562 0.000 0.951 612 D N -0.659 119.721 120.400 -0.033 0.000 2.775 612 D HA -0.228 4.413 4.640 0.001 0.000 0.235 612 D C -0.738 175.633 176.300 0.118 0.000 1.120 612 D CA 0.439 54.446 54.000 0.012 0.000 0.708 612 D CB -2.096 38.689 40.800 -0.026 0.000 1.084 612 D HN 0.348 nan 8.370 nan 0.000 0.434 613 Y N 0.739 121.089 120.300 0.084 0.000 2.810 613 Y HA 0.207 4.757 4.550 0.001 0.000 0.332 613 Y C 0.919 176.844 175.900 0.042 0.000 1.243 613 Y CA 0.297 58.460 58.100 0.105 0.000 1.537 613 Y CB 0.042 38.583 38.460 0.136 0.000 1.265 613 Y HN 0.428 nan 8.280 nan 0.000 0.572 614 C N 2.975 121.991 119.300 -0.473 0.000 3.293 614 C HA 0.477 4.937 4.460 0.001 0.000 0.362 614 C C 1.040 175.771 174.990 -0.432 0.000 1.539 614 C CA -0.458 58.317 59.018 -0.405 0.000 1.201 614 C CB 0.634 28.265 27.740 -0.183 0.000 1.770 614 C HN 0.609 nan 8.230 nan 0.000 0.440 615 V N 1.465 121.242 119.914 -0.229 0.000 2.343 615 V HA -0.144 3.977 4.120 0.001 0.000 0.247 615 V C 2.646 178.705 176.094 -0.058 0.000 1.051 615 V CA 2.966 65.221 62.300 -0.075 0.000 1.036 615 V CB -0.864 30.938 31.823 -0.036 0.000 0.654 615 V HN 0.952 nan 8.190 nan 0.000 0.451 616 S N -0.083 115.563 115.700 -0.091 0.000 2.383 616 S HA -0.125 4.345 4.470 0.001 0.000 0.227 616 S C 2.221 176.760 174.600 -0.102 0.000 1.026 616 S CA 1.305 59.454 58.200 -0.085 0.000 0.981 616 S CB -0.411 62.755 63.200 -0.057 0.000 0.818 616 S HN 0.653 nan 8.310 nan 0.000 0.472 617 A N 1.774 124.570 122.820 -0.041 0.000 1.877 617 A HA 0.057 4.378 4.320 0.001 0.000 0.216 617 A C 2.385 180.017 177.584 0.079 0.000 1.186 617 A CA 1.785 53.839 52.037 0.029 0.000 0.620 617 A CB -1.236 17.928 19.000 0.273 0.000 0.822 617 A HN 0.518 nan 8.150 nan 0.000 0.443 618 A N -0.111 122.790 122.820 0.136 0.000 1.948 618 A HA -0.231 4.090 4.320 0.001 0.000 0.220 618 A C 1.861 179.619 177.584 0.290 0.000 1.177 618 A CA 1.798 54.016 52.037 0.302 0.000 0.636 618 A CB -0.654 18.528 19.000 0.303 0.000 0.815 618 A HN 0.670 nan 8.150 nan 0.000 0.449 619 E N -0.350 119.978 120.200 0.213 0.000 2.209 619 E HA -0.188 4.163 4.350 0.001 0.000 0.196 619 E C 1.904 178.512 176.600 0.014 0.000 0.993 619 E CA 1.230 57.699 56.400 0.115 0.000 0.819 619 E CB -0.080 29.576 29.700 -0.073 0.000 0.745 619 E HN 0.587 nan 8.360 nan 0.000 0.477 620 K N 0.193 120.537 120.400 -0.092 0.000 2.128 620 K HA 0.018 4.338 4.320 0.001 0.000 0.202 620 K C 2.235 178.826 176.600 -0.014 0.000 1.050 620 K CA 0.408 56.597 56.287 -0.163 0.000 0.966 620 K CB 0.036 32.202 32.500 -0.557 0.000 0.759 620 K HN 0.101 nan 8.250 nan 0.000 0.454 621 L N 1.009 122.264 121.223 0.054 0.000 2.027 621 L HA -0.126 4.215 4.340 0.001 0.000 0.206 621 L C 2.412 179.348 176.870 0.110 0.000 1.074 621 L CA 1.071 55.980 54.840 0.115 0.000 0.745 621 L CB -0.322 41.826 42.059 0.148 0.000 0.898 621 L HN 0.081 nan 8.230 nan 0.000 0.433 622 I N -0.287 120.353 120.570 0.117 0.000 2.179 622 I HA -0.203 3.968 4.170 0.001 0.000 0.242 622 I C -0.430 175.734 176.117 0.077 0.000 1.088 622 I CA 1.381 62.737 61.300 0.094 0.000 1.357 622 I CB -1.085 36.981 38.000 0.110 0.000 1.051 622 I HN 0.183 nan 8.210 nan 0.000 0.409 623 P HA -0.137 nan 4.420 nan 0.000 0.221 623 P C 0.825 178.138 177.300 0.021 0.000 1.145 623 P CA 1.251 64.370 63.100 0.032 0.000 0.795 623 P CB 0.024 31.735 31.700 0.018 0.000 0.775 624 A N -1.258 121.599 122.820 0.062 0.000 2.275 624 A HA 0.482 4.803 4.320 0.001 0.000 0.212 624 A C 1.100 178.751 177.584 0.112 0.000 1.201 624 A CA 0.013 52.095 52.037 0.075 0.000 0.843 624 A CB -0.683 18.428 19.000 0.186 0.000 0.873 624 A HN 0.186 nan 8.150 nan 0.000 0.492 625 A N -0.032 122.852 122.820 0.107 0.000 2.388 625 A HA 0.448 4.769 4.320 0.001 0.000 0.257 625 A C 0.415 178.079 177.584 0.134 0.000 1.095 625 A CA -0.117 51.994 52.037 0.123 0.000 0.791 625 A CB 0.300 19.346 19.000 0.077 0.000 1.029 625 A HN 0.284 nan 8.150 nan 0.000 0.489 626 D N 0.517 121.011 120.400 0.158 0.000 2.338 626 D HA 0.113 4.754 4.640 0.001 0.000 0.224 626 D C 0.182 176.681 176.300 0.331 0.000 0.967 626 D CA 0.984 55.158 54.000 0.290 0.000 0.896 626 D CB 0.216 41.114 40.800 0.163 0.000 1.028 626 D HN 0.369 nan 8.370 nan 0.000 0.493 627 I N 1.123 121.785 120.570 0.154 0.000 2.378 627 I HA 0.143 4.313 4.170 0.001 0.000 0.291 627 I C 0.087 176.227 176.117 0.038 0.000 0.992 627 I CA -0.480 60.880 61.300 0.099 0.000 1.154 627 I CB 1.546 39.545 38.000 -0.002 0.000 1.315 627 I HN -0.244 nan 8.210 nan 0.000 0.448 628 S N 6.472 122.202 115.700 0.050 0.000 2.410 628 S HA 0.250 4.720 4.470 0.001 0.000 0.304 628 S C -0.046 174.569 174.600 0.025 0.000 1.095 628 S CA -0.580 57.628 58.200 0.014 0.000 1.089 628 S CB 0.157 63.360 63.200 0.006 0.000 0.968 628 S HN 0.386 nan 8.310 nan 0.000 0.480 629 E N 4.054 124.252 120.200 -0.004 0.000 2.129 629 E HA 0.162 4.512 4.350 0.001 0.000 0.283 629 E C -0.410 176.195 176.600 0.008 0.000 1.080 629 E CA -0.194 56.222 56.400 0.027 0.000 0.867 629 E CB 0.783 30.477 29.700 -0.011 0.000 1.056 629 E HN 0.604 nan 8.360 nan 0.000 0.404 630 Q N 2.824 122.654 119.800 0.050 0.000 3.122 630 Q HA 0.250 4.590 4.340 0.001 0.000 0.282 630 Q C 0.594 176.613 176.000 0.032 0.000 0.947 630 Q CA -0.120 55.692 55.803 0.015 0.000 0.812 630 Q CB 0.175 28.910 28.738 -0.005 0.000 1.333 630 Q HN 0.602 nan 8.270 nan 0.000 0.430 631 I N -1.828 118.752 120.570 0.017 0.000 3.816 631 I HA 0.262 4.433 4.170 0.001 0.000 0.334 631 I C 0.382 176.478 176.117 -0.034 0.000 1.551 631 I CA -0.661 60.646 61.300 0.012 0.000 1.153 631 I CB 0.440 38.414 38.000 -0.043 0.000 1.197 631 I HN -0.018 nan 8.210 nan 0.000 0.439 632 S N 0.314 116.007 115.700 -0.013 0.000 2.560 632 S HA 0.169 4.639 4.470 0.001 0.000 0.284 632 S C 0.585 175.195 174.600 0.017 0.000 1.327 632 S CA -0.316 57.914 58.200 0.050 0.000 1.055 632 S CB 0.260 63.552 63.200 0.153 0.000 0.868 632 S HN 0.377 nan 8.310 nan 0.000 0.506 633 T N 3.076 117.678 114.554 0.081 0.000 2.905 633 T HA 0.310 4.661 4.350 0.001 0.000 0.299 633 T C 0.777 175.484 174.700 0.012 0.000 1.024 633 T CA 0.394 62.531 62.100 0.063 0.000 1.151 633 T CB -0.167 68.822 68.868 0.202 0.000 0.987 633 T HN 0.992 nan 8.240 nan 0.000 0.535 634 A N 2.876 125.669 122.820 -0.045 0.000 2.511 634 A HA 0.498 4.819 4.320 0.001 0.000 0.242 634 A C 1.650 179.206 177.584 -0.047 0.000 1.069 634 A CA 0.193 52.193 52.037 -0.061 0.000 0.763 634 A CB -0.680 18.275 19.000 -0.075 0.000 1.001 634 A HN 1.657 nan 8.150 nan 0.000 0.498 635 G N 1.676 110.447 108.800 -0.049 0.000 2.195 635 G HA2 -0.216 3.745 3.960 0.001 0.000 0.246 635 G HA3 -0.216 3.745 3.960 0.001 0.000 0.246 635 G C 0.895 175.749 174.900 -0.076 0.000 0.984 635 G CA 0.649 45.719 45.100 -0.050 0.000 0.633 635 G HN 0.675 nan 8.290 nan 0.000 0.525 636 K N 0.032 120.369 120.400 -0.106 0.000 2.350 636 K HA 0.202 4.522 4.320 0.001 0.000 0.196 636 K C 0.737 177.022 176.600 -0.525 0.000 1.084 636 K CA 0.312 56.434 56.287 -0.276 0.000 0.967 636 K CB 0.413 32.805 32.500 -0.181 0.000 0.950 636 K HN 0.394 nan 8.250 nan 0.000 0.512 637 E N 1.383 121.446 120.200 -0.229 0.000 2.180 637 E HA 0.232 4.583 4.350 0.001 0.000 0.283 637 E C 0.608 177.107 176.600 -0.167 0.000 1.061 637 E CA -0.088 56.242 56.400 -0.117 0.000 0.861 637 E CB 1.220 30.972 29.700 0.087 0.000 1.056 637 E HN 0.174 nan 8.360 nan 0.000 0.407 638 A N 3.453 126.107 122.820 -0.277 0.000 1.873 638 A HA -0.122 4.199 4.320 0.001 0.000 0.215 638 A C 1.965 179.420 177.584 -0.214 0.000 1.186 638 A CA 1.889 53.648 52.037 -0.463 0.000 0.616 638 A CB -0.253 18.157 19.000 -0.982 0.000 0.823 638 A HN 0.605 nan 8.150 nan 0.000 0.442 639 S N -3.333 112.297 115.700 -0.117 0.000 3.608 639 S HA 0.462 4.932 4.470 0.001 0.000 0.234 639 S C 0.700 175.288 174.600 -0.020 0.000 1.077 639 S CA 1.509 59.694 58.200 -0.024 0.000 0.827 639 S CB 0.002 63.217 63.200 0.026 0.000 0.964 639 S HN 2.194 nan 8.310 nan 0.000 0.547 640 G N 0.318 109.110 108.800 -0.014 0.000 2.777 640 G HA2 -0.044 3.917 3.960 0.001 0.000 0.686 640 G HA3 -0.044 3.917 3.960 0.001 0.000 0.686 640 G C 0.194 175.065 174.900 -0.048 0.000 1.177 640 G CA 0.377 45.460 45.100 -0.027 0.000 0.775 640 G HN 1.211 nan 8.290 nan 0.000 0.613 641 T N -1.407 113.101 114.554 -0.076 0.000 2.992 641 T HA 0.374 4.725 4.350 0.001 0.000 0.255 641 T C 2.342 176.927 174.700 -0.193 0.000 0.938 641 T CA 1.194 63.225 62.100 -0.115 0.000 0.895 641 T CB 0.408 69.213 68.868 -0.105 0.000 1.221 641 T HN 1.821 nan 8.240 nan 0.000 0.512 642 G N 3.292 111.985 108.800 -0.178 0.000 2.422 642 G HA2 -0.255 3.706 3.960 0.001 0.000 0.218 642 G HA3 -0.255 3.706 3.960 0.001 0.000 0.218 642 G C 1.549 176.341 174.900 -0.180 0.000 1.146 642 G CA 1.254 46.230 45.100 -0.207 0.000 0.769 642 G HN 0.675 nan 8.290 nan 0.000 0.547 643 N N 1.113 119.721 118.700 -0.152 0.000 2.094 643 N HA -0.189 4.552 4.740 0.001 0.000 0.191 643 N C 1.988 177.371 175.510 -0.212 0.000 1.023 643 N CA 1.987 54.942 53.050 -0.159 0.000 0.857 643 N CB -0.689 37.706 38.487 -0.153 0.000 1.013 643 N HN 0.418 nan 8.380 nan 0.000 0.426 644 M N -0.017 119.432 119.600 -0.253 0.000 2.156 644 M HA 0.036 4.516 4.480 0.001 0.000 0.264 644 M C 2.084 178.291 176.300 -0.154 0.000 1.067 644 M CA 1.355 56.492 55.300 -0.273 0.000 1.131 644 M CB -0.152 32.320 32.600 -0.214 0.000 1.368 644 M HN 0.066 nan 8.290 nan 0.000 0.416 645 K N 0.598 120.882 120.400 -0.193 0.000 2.057 645 K HA -0.099 4.221 4.320 0.001 0.000 0.207 645 K C 1.846 178.396 176.600 -0.082 0.000 1.049 645 K CA 1.230 57.411 56.287 -0.175 0.000 0.931 645 K CB -0.275 31.979 32.500 -0.409 0.000 0.714 645 K HN 0.251 nan 8.250 nan 0.000 0.440 646 L N 0.295 121.459 121.223 -0.098 0.000 2.027 646 L HA -0.170 4.170 4.340 0.001 0.000 0.206 646 L C 2.550 179.407 176.870 -0.021 0.000 1.074 646 L CA 1.214 56.026 54.840 -0.047 0.000 0.745 646 L CB -0.553 41.475 42.059 -0.052 0.000 0.898 646 L HN 0.202 nan 8.230 nan 0.000 0.433 647 A N 0.212 123.002 122.820 -0.051 0.000 1.865 647 A HA -0.222 4.099 4.320 0.001 0.000 0.217 647 A C 2.246 179.835 177.584 0.009 0.000 1.191 647 A CA 1.761 53.776 52.037 -0.038 0.000 0.623 647 A CB -0.973 17.966 19.000 -0.102 0.000 0.826 647 A HN 0.351 nan 8.150 nan 0.000 0.444 648 L N -0.214 121.018 121.223 0.015 0.000 2.127 648 L HA -0.180 4.161 4.340 0.001 0.000 0.211 648 L C 1.580 178.482 176.870 0.054 0.000 1.089 648 L CA 1.113 55.985 54.840 0.053 0.000 0.757 648 L CB -0.392 41.712 42.059 0.075 0.000 0.899 648 L HN 0.417 nan 8.230 nan 0.000 0.434 649 N N -0.197 118.527 118.700 0.040 0.000 2.322 649 N HA 0.071 4.811 4.740 0.001 0.000 0.194 649 N C 0.996 176.515 175.510 0.015 0.000 1.126 649 N CA 0.921 53.982 53.050 0.018 0.000 0.845 649 N CB 0.940 39.444 38.487 0.028 0.000 0.976 649 N HN 0.383 nan 8.380 nan 0.000 0.475 650 G N 0.288 109.140 108.800 0.088 0.000 2.140 650 G HA2 -0.174 3.786 3.960 0.001 0.000 0.211 650 G HA3 -0.174 3.786 3.960 0.001 0.000 0.211 650 G C -0.018 174.973 174.900 0.151 0.000 1.013 650 G CA 0.038 45.245 45.100 0.179 0.000 0.705 650 G HN 0.504 nan 8.290 nan 0.000 0.508 651 A N -0.035 122.845 122.820 0.098 0.000 2.303 651 A HA 0.842 5.162 4.320 0.001 0.000 0.317 651 A C 0.494 178.103 177.584 0.042 0.000 1.149 651 A CA -0.523 51.581 52.037 0.111 0.000 0.822 651 A CB 0.757 19.810 19.000 0.088 0.000 1.131 651 A HN 0.782 nan 8.150 nan 0.000 0.493 652 L N 1.500 122.739 121.223 0.027 0.000 2.350 652 L HA 0.342 4.683 4.340 0.001 0.000 0.275 652 L C 0.258 177.191 176.870 0.104 0.000 1.099 652 L CA -0.316 54.515 54.840 -0.015 0.000 0.808 652 L CB 1.310 43.272 42.059 -0.162 0.000 1.149 652 L HN 0.665 nan 8.230 nan 0.000 0.442 653 T N 2.344 116.962 114.554 0.106 0.000 2.771 653 T HA 0.317 4.668 4.350 0.001 0.000 0.291 653 T C -0.009 174.841 174.700 0.250 0.000 0.954 653 T CA -0.379 61.794 62.100 0.121 0.000 1.045 653 T CB 1.437 70.332 68.868 0.046 0.000 0.917 653 T HN 0.197 nan 8.240 nan 0.000 0.484 654 V N 3.546 123.595 119.914 0.224 0.000 2.364 654 V HA 0.771 4.892 4.120 0.001 0.000 0.272 654 V C 0.685 176.992 176.094 0.354 0.000 1.036 654 V CA -0.220 62.258 62.300 0.297 0.000 0.880 654 V CB 0.949 32.872 31.823 0.166 0.000 0.991 654 V HN 1.084 nan 8.190 nan 0.000 0.460 655 G N 2.643 111.706 108.800 0.438 0.000 2.703 655 G HA2 0.579 4.540 3.960 0.001 0.000 0.294 655 G HA3 0.579 4.540 3.960 0.001 0.000 0.294 655 G C -0.518 174.306 174.900 -0.128 0.000 1.451 655 G CA -0.150 45.080 45.100 0.216 0.000 0.869 655 G HN 0.726 nan 8.290 nan 0.000 0.516 656 T N -0.948 113.371 114.554 -0.391 0.000 2.828 656 T HA 0.478 4.829 4.350 0.001 0.000 0.290 656 T C 0.603 175.164 174.700 -0.232 0.000 1.019 656 T CA -0.615 61.180 62.100 -0.510 0.000 1.031 656 T CB 1.153 69.737 68.868 -0.474 0.000 1.001 656 T HN 0.408 nan 8.240 nan 0.000 0.531 657 L N 2.243 123.346 121.223 -0.200 0.000 2.395 657 L HA 0.329 4.670 4.340 0.001 0.000 0.268 657 L C -0.315 176.504 176.870 -0.085 0.000 1.223 657 L CA 0.234 55.008 54.840 -0.109 0.000 1.093 657 L CB -0.655 41.351 42.059 -0.088 0.000 1.349 657 L HN 0.790 nan 8.230 nan 0.000 0.427 658 D N 1.246 121.604 120.400 -0.071 0.000 2.837 658 D HA 0.544 5.184 4.640 0.001 0.000 0.220 658 D C 0.409 176.689 176.300 -0.034 0.000 1.236 658 D CA 0.789 54.758 54.000 -0.053 0.000 0.838 658 D CB 2.076 42.839 40.800 -0.062 0.000 1.647 658 D HN 0.471 nan 8.370 nan 0.000 0.486 659 G N 1.924 110.712 108.800 -0.020 0.000 2.634 659 G HA2 -0.221 3.740 3.960 0.001 0.000 0.309 659 G HA3 -0.221 3.740 3.960 0.001 0.000 0.309 659 G C 1.018 175.924 174.900 0.010 0.000 1.265 659 G CA 1.099 46.194 45.100 -0.009 0.000 0.998 659 G HN 1.155 nan 8.290 nan 0.000 0.551 660 A N -0.176 122.646 122.820 0.004 0.000 2.208 660 A HA 0.194 4.515 4.320 0.001 0.000 0.209 660 A C 2.036 179.597 177.584 -0.039 0.000 1.161 660 A CA 1.576 53.626 52.037 0.022 0.000 0.782 660 A CB -0.361 18.652 19.000 0.021 0.000 0.816 660 A HN 0.600 nan 8.150 nan 0.000 0.477 661 N N 0.518 119.183 118.700 -0.058 0.000 2.192 661 N HA -0.174 4.566 4.740 0.001 0.000 0.188 661 N C 1.813 177.304 175.510 -0.031 0.000 1.013 661 N CA 1.635 54.645 53.050 -0.066 0.000 0.863 661 N CB -0.671 37.781 38.487 -0.057 0.000 0.990 661 N HN 0.506 nan 8.380 nan 0.000 0.430 662 V N 0.356 120.266 119.914 -0.007 0.000 2.379 662 V HA -0.128 3.992 4.120 0.001 0.000 0.245 662 V C 1.721 177.843 176.094 0.047 0.000 1.044 662 V CA 1.623 63.927 62.300 0.008 0.000 1.036 662 V CB -0.399 31.424 31.823 0.001 0.000 0.664 662 V HN 0.155 nan 8.190 nan 0.000 0.453 663 E N 0.176 120.434 120.200 0.097 0.000 2.204 663 E HA -0.095 4.255 4.350 0.001 0.000 0.194 663 E C 2.101 178.881 176.600 0.299 0.000 0.989 663 E CA 1.722 58.239 56.400 0.195 0.000 0.824 663 E CB -0.232 29.639 29.700 0.285 0.000 0.756 663 E HN 0.713 nan 8.360 nan 0.000 0.477 664 I N 0.876 121.539 120.570 0.156 0.000 2.233 664 I HA -0.234 3.936 4.170 0.001 0.000 0.243 664 I C 2.523 178.668 176.117 0.047 0.000 1.093 664 I CA 0.808 62.136 61.300 0.047 0.000 1.380 664 I CB -0.302 37.563 38.000 -0.225 0.000 1.067 664 I HN 0.090 nan 8.210 nan 0.000 0.413 665 A N 0.430 123.256 122.820 0.010 0.000 1.865 665 A HA -0.297 4.023 4.320 0.001 0.000 0.217 665 A C 2.290 179.876 177.584 0.005 0.000 1.191 665 A CA 2.093 54.124 52.037 -0.010 0.000 0.623 665 A CB -0.809 18.180 19.000 -0.019 0.000 0.826 665 A HN 0.454 nan 8.150 nan 0.000 0.444 666 E N -0.752 119.464 120.200 0.027 0.000 2.097 666 E HA -0.246 4.105 4.350 0.001 0.000 0.196 666 E C 1.886 178.503 176.600 0.028 0.000 1.000 666 E CA 1.443 57.857 56.400 0.023 0.000 0.804 666 E CB 0.012 29.733 29.700 0.035 0.000 0.740 666 E HN 0.306 nan 8.360 nan 0.000 0.454 667 K N -0.173 120.267 120.400 0.067 0.000 2.116 667 K HA -0.074 4.246 4.320 0.001 0.000 0.203 667 K C 2.165 178.786 176.600 0.034 0.000 1.052 667 K CA 1.218 57.544 56.287 0.065 0.000 0.952 667 K CB -0.216 32.375 32.500 0.151 0.000 0.729 667 K HN 0.267 nan 8.250 nan 0.000 0.446 668 V N -3.050 116.878 119.914 0.023 0.000 2.992 668 V HA 0.332 4.453 4.120 0.001 0.000 0.250 668 V C 0.755 176.820 176.094 -0.048 0.000 1.090 668 V CA 0.586 62.877 62.300 -0.015 0.000 1.101 668 V CB -0.495 31.309 31.823 -0.032 0.000 0.743 668 V HN 0.279 nan 8.190 nan 0.000 0.468 669 G N 1.587 110.359 108.800 -0.048 0.000 2.911 669 G HA2 -0.104 3.857 3.960 0.001 0.000 0.686 669 G HA3 -0.104 3.857 3.960 0.001 0.000 0.686 669 G C 0.016 174.863 174.900 -0.090 0.000 1.136 669 G CA 0.028 45.090 45.100 -0.062 0.000 0.764 669 G HN 0.758 nan 8.290 nan 0.000 0.626 670 E N 0.488 120.639 120.200 -0.081 0.000 2.265 670 E HA -0.163 4.187 4.350 0.001 0.000 0.196 670 E C 1.818 178.328 176.600 -0.149 0.000 0.996 670 E CA 1.511 57.852 56.400 -0.098 0.000 0.832 670 E CB -0.018 29.642 29.700 -0.067 0.000 0.756 670 E HN 0.676 nan 8.360 nan 0.000 0.491 671 E N 1.125 121.238 120.200 -0.144 0.000 2.427 671 E HA -0.089 4.262 4.350 0.001 0.000 0.196 671 E C 0.643 177.082 176.600 -0.268 0.000 1.028 671 E CA 0.432 56.725 56.400 -0.178 0.000 0.864 671 E CB -0.181 29.447 29.700 -0.120 0.000 0.813 671 E HN 0.304 nan 8.360 nan 0.000 0.514 672 N N 0.549 119.091 118.700 -0.263 0.000 2.234 672 N HA 0.289 5.030 4.740 0.001 0.000 0.227 672 N C -0.243 175.055 175.510 -0.353 0.000 1.151 672 N CA -0.007 52.867 53.050 -0.294 0.000 0.865 672 N CB 1.516 39.887 38.487 -0.193 0.000 1.066 672 N HN 0.240 nan 8.380 nan 0.000 0.515 673 I N -0.876 119.424 120.570 -0.450 0.000 2.908 673 I HA 0.330 4.500 4.170 0.001 0.000 0.300 673 I C -1.503 174.314 176.117 -0.501 0.000 1.385 673 I CA -0.783 60.294 61.300 -0.371 0.000 1.004 673 I CB 1.707 39.617 38.000 -0.150 0.000 1.309 673 I HN -0.267 nan 8.210 nan 0.000 0.449 674 F N 7.239 127.190 119.950 0.002 0.000 2.344 674 F HA 0.421 4.949 4.527 0.001 0.000 0.344 674 F C 0.080 175.961 175.800 0.135 0.000 1.140 674 F CA -0.569 57.463 58.000 0.053 0.000 1.256 674 F CB 0.209 39.237 39.000 0.047 0.000 1.573 674 F HN 0.042 nan 8.300 nan 0.000 0.547 675 I N 3.184 123.866 120.570 0.185 0.000 2.575 675 I HA 0.224 4.394 4.170 0.001 0.000 0.285 675 I C 0.015 176.280 176.117 0.246 0.000 1.085 675 I CA -0.305 61.088 61.300 0.155 0.000 1.403 675 I CB 0.198 38.216 38.000 0.029 0.000 1.409 675 I HN 0.375 nan 8.210 nan 0.000 0.557 676 F N 2.494 122.469 119.950 0.041 0.000 2.711 676 F HA 0.833 5.360 4.527 0.001 0.000 0.313 676 F C -0.033 175.760 175.800 -0.012 0.000 1.141 676 F CA -0.370 57.644 58.000 0.024 0.000 0.941 676 F CB 1.158 40.193 39.000 0.059 0.000 1.349 676 F HN 0.820 nan 8.300 nan 0.000 0.464 677 G N 0.566 109.347 108.800 -0.032 0.000 2.728 677 G HA2 -0.024 3.937 3.960 0.001 0.000 0.294 677 G HA3 -0.024 3.937 3.960 0.001 0.000 0.294 677 G C -1.311 173.446 174.900 -0.238 0.000 1.342 677 G CA -0.599 44.389 45.100 -0.185 0.000 0.866 677 G HN 1.198 nan 8.290 nan 0.000 0.534 678 H N 0.698 119.710 119.070 -0.097 0.000 2.815 678 H HA 0.376 4.933 4.556 0.001 0.000 0.350 678 H C 1.472 176.730 175.328 -0.116 0.000 1.080 678 H CA 0.936 56.932 56.048 -0.087 0.000 1.433 678 H CB 0.632 30.329 29.762 -0.109 0.000 1.432 678 H HN 0.918 nan 8.280 nan 0.000 0.592 679 T N -1.456 113.117 114.554 0.032 0.000 2.788 679 T HA 0.084 4.435 4.350 0.001 0.000 0.287 679 T C 1.783 176.471 174.700 -0.019 0.000 1.007 679 T CA -0.749 61.342 62.100 -0.015 0.000 1.005 679 T CB 0.567 69.428 68.868 -0.011 0.000 1.012 679 T HN 0.273 nan 8.240 nan 0.000 0.530 680 V N 1.600 121.492 119.914 -0.037 0.000 2.324 680 V HA -0.162 3.959 4.120 0.001 0.000 0.250 680 V C 2.754 178.821 176.094 -0.046 0.000 1.060 680 V CA 2.307 64.579 62.300 -0.046 0.000 1.042 680 V CB -1.166 30.631 31.823 -0.044 0.000 0.650 680 V HN 0.896 nan 8.190 nan 0.000 0.450 681 E N -0.062 120.119 120.200 -0.032 0.000 2.150 681 E HA -0.193 4.157 4.350 0.001 0.000 0.193 681 E C 2.298 178.883 176.600 -0.026 0.000 0.985 681 E CA 1.054 57.437 56.400 -0.028 0.000 0.814 681 E CB -0.246 29.444 29.700 -0.017 0.000 0.752 681 E HN 0.710 nan 8.360 nan 0.000 0.466 682 Q N 0.023 119.818 119.800 -0.009 0.000 2.123 682 Q HA -0.048 4.293 4.340 0.001 0.000 0.199 682 Q C 2.262 178.198 176.000 -0.108 0.000 0.966 682 Q CA 1.075 56.875 55.803 -0.006 0.000 0.845 682 Q CB -0.030 28.774 28.738 0.111 0.000 0.907 682 Q HN 0.139 nan 8.270 nan 0.000 0.439 683 V N 1.722 121.563 119.914 -0.121 0.000 2.287 683 V HA -0.304 3.817 4.120 0.001 0.000 0.248 683 V C 2.069 178.060 176.094 -0.172 0.000 1.053 683 V CA 2.019 64.197 62.300 -0.204 0.000 1.027 683 V CB -0.433 31.299 31.823 -0.153 0.000 0.646 683 V HN 0.291 nan 8.190 nan 0.000 0.447 684 K N 0.020 120.354 120.400 -0.110 0.000 2.057 684 K HA -0.107 4.214 4.320 0.001 0.000 0.207 684 K C 2.313 178.868 176.600 -0.075 0.000 1.049 684 K CA 1.465 57.700 56.287 -0.088 0.000 0.931 684 K CB -0.484 31.977 32.500 -0.066 0.000 0.714 684 K HN 0.477 nan 8.250 nan 0.000 0.440 685 A N 1.294 124.077 122.820 -0.063 0.000 1.877 685 A HA -0.178 4.143 4.320 0.001 0.000 0.216 685 A C 2.158 179.719 177.584 -0.038 0.000 1.186 685 A CA 1.452 53.466 52.037 -0.037 0.000 0.620 685 A CB -0.675 18.315 19.000 -0.017 0.000 0.822 685 A HN 0.202 nan 8.150 nan 0.000 0.443 686 I N -0.451 120.065 120.570 -0.090 0.000 2.264 686 I HA -0.272 3.898 4.170 0.001 0.000 0.248 686 I C 2.388 178.481 176.117 -0.039 0.000 1.111 686 I CA 1.138 62.388 61.300 -0.082 0.000 1.382 686 I CB -0.181 37.649 38.000 -0.285 0.000 1.060 686 I HN 0.318 nan 8.210 nan 0.000 0.418 687 L N -0.141 121.028 121.223 -0.091 0.000 2.044 687 L HA -0.116 4.225 4.340 0.001 0.000 0.205 687 L C 2.788 179.660 176.870 0.003 0.000 1.075 687 L CA 1.144 55.963 54.840 -0.034 0.000 0.747 687 L CB -0.662 41.347 42.059 -0.084 0.000 0.903 687 L HN 0.197 nan 8.230 nan 0.000 0.435 688 A N -0.174 122.637 122.820 -0.015 0.000 1.933 688 A HA -0.240 4.081 4.320 0.001 0.000 0.218 688 A C 2.369 179.962 177.584 0.014 0.000 1.175 688 A CA 1.685 53.719 52.037 -0.005 0.000 0.628 688 A CB -0.422 18.569 19.000 -0.015 0.000 0.814 688 A HN 0.265 nan 8.150 nan 0.000 0.444 689 K N -0.651 119.764 120.400 0.026 0.000 2.365 689 K HA 0.079 4.400 4.320 0.001 0.000 0.199 689 K C 0.371 177.009 176.600 0.063 0.000 1.045 689 K CA 0.866 57.179 56.287 0.044 0.000 0.962 689 K CB -0.333 32.199 32.500 0.053 0.000 0.759 689 K HN 0.878 nan 8.250 nan 0.000 0.469 690 G N 1.540 110.389 108.800 0.080 0.000 2.721 690 G HA2 -0.232 3.729 3.960 0.001 0.000 0.462 690 G HA3 -0.232 3.729 3.960 0.001 0.000 0.462 690 G C -1.155 173.846 174.900 0.168 0.000 1.062 690 G CA -0.397 44.762 45.100 0.097 0.000 1.233 690 G HN 0.275 nan 8.290 nan 0.000 0.545 691 Y N 2.279 122.597 120.300 0.031 0.000 2.335 691 Y HA 0.561 5.112 4.550 0.001 0.000 0.331 691 Y C -0.061 175.884 175.900 0.076 0.000 1.094 691 Y CA -0.972 57.160 58.100 0.053 0.000 1.253 691 Y CB 1.706 40.150 38.460 -0.026 0.000 1.203 691 Y HN 0.416 nan 8.280 nan 0.000 0.508 692 D N 9.023 129.320 120.400 -0.171 0.000 2.446 692 D HA 0.314 4.955 4.640 0.001 0.000 0.251 692 D C -2.088 174.020 176.300 -0.320 0.000 1.137 692 D CA -2.473 51.391 54.000 -0.226 0.000 0.890 692 D CB 1.533 42.321 40.800 -0.020 0.000 1.071 692 D HN 0.326 nan 8.370 nan 0.000 0.528 693 P HA -0.131 nan 4.420 nan 0.000 0.217 693 P C 1.488 178.770 177.300 -0.030 0.000 1.150 693 P CA 0.448 63.292 63.100 -0.427 0.000 0.832 693 P CB 0.496 31.966 31.700 -0.383 0.000 0.787 694 V N 0.814 120.709 119.914 -0.032 0.000 2.490 694 V HA -0.197 3.924 4.120 0.001 0.000 0.250 694 V C 2.761 178.888 176.094 0.054 0.000 1.061 694 V CA 1.704 64.017 62.300 0.021 0.000 1.064 694 V CB -1.193 30.634 31.823 0.008 0.000 0.670 694 V HN 0.143 nan 8.190 nan 0.000 0.461 695 K N -1.160 119.277 120.400 0.062 0.000 2.057 695 K HA -0.202 4.119 4.320 0.001 0.000 0.206 695 K C 2.007 178.647 176.600 0.066 0.000 1.050 695 K CA 1.776 58.088 56.287 0.042 0.000 0.935 695 K CB -0.211 32.295 32.500 0.011 0.000 0.715 695 K HN 0.518 nan 8.250 nan 0.000 0.439 696 W N 1.349 122.657 121.300 0.014 0.000 2.363 696 W HA -0.118 4.543 4.660 0.001 0.000 0.296 696 W C 2.418 178.967 176.519 0.050 0.000 1.212 696 W CA 1.439 58.828 57.345 0.074 0.000 1.260 696 W CB -0.244 29.304 29.460 0.148 0.000 1.131 696 W HN 0.146 nan 8.180 nan 0.000 0.530 697 R N 0.812 121.456 120.500 0.242 0.000 2.070 697 R HA -0.179 4.162 4.340 0.001 0.000 0.233 697 R C 2.031 178.370 176.300 0.064 0.000 1.137 697 R CA 1.512 57.676 56.100 0.107 0.000 0.945 697 R CB -0.379 29.951 30.300 0.049 0.000 0.845 697 R HN -0.112 nan 8.270 nan 0.000 0.430 698 K N 0.902 121.332 120.400 0.050 0.000 2.209 698 K HA -0.111 4.210 4.320 0.001 0.000 0.204 698 K C 1.876 178.487 176.600 0.018 0.000 1.048 698 K CA 1.327 57.627 56.287 0.023 0.000 0.940 698 K CB -0.046 32.461 32.500 0.012 0.000 0.729 698 K HN 0.201 nan 8.250 nan 0.000 0.451 699 K N 0.673 121.084 120.400 0.017 0.000 2.486 699 K HA -0.025 4.295 4.320 0.001 0.000 0.194 699 K C 0.228 176.854 176.600 0.042 0.000 1.033 699 K CA 0.295 56.584 56.287 0.003 0.000 1.004 699 K CB 0.269 32.735 32.500 -0.057 0.000 0.798 699 K HN 0.016 nan 8.250 nan 0.000 0.495 700 D N 0.184 120.630 120.400 0.076 0.000 2.440 700 D HA 0.086 4.727 4.640 0.001 0.000 0.239 700 D C 0.287 176.628 176.300 0.069 0.000 1.084 700 D CA -0.133 53.931 54.000 0.108 0.000 0.843 700 D CB 1.039 41.955 40.800 0.194 0.000 1.097 700 D HN -0.230 nan 8.370 nan 0.000 0.531 701 K N 2.269 122.708 120.400 0.066 0.000 2.057 701 K HA -0.033 4.287 4.320 0.001 0.000 0.206 701 K C 1.858 178.483 176.600 0.043 0.000 1.050 701 K CA 0.685 56.997 56.287 0.041 0.000 0.935 701 K CB -0.328 32.193 32.500 0.036 0.000 0.715 701 K HN 0.283 nan 8.250 nan 0.000 0.439 702 V N 1.987 121.952 119.914 0.086 0.000 2.295 702 V HA -0.228 3.893 4.120 0.001 0.000 0.246 702 V C 2.429 178.546 176.094 0.038 0.000 1.049 702 V CA 1.367 63.731 62.300 0.108 0.000 1.024 702 V CB -0.511 31.435 31.823 0.205 0.000 0.648 702 V HN 0.137 nan 8.190 nan 0.000 0.447 703 L N 0.892 122.091 121.223 -0.040 0.000 2.013 703 L HA -0.227 4.114 4.340 0.001 0.000 0.212 703 L C 2.143 178.884 176.870 -0.215 0.000 1.073 703 L CA 2.635 57.219 54.840 -0.425 0.000 0.753 703 L CB -1.040 40.720 42.059 -0.498 0.000 0.890 703 L HN 0.468 nan 8.230 nan 0.000 0.432 704 D N -0.916 119.431 120.400 -0.088 0.000 2.144 704 D HA -0.129 4.511 4.640 0.001 0.000 0.200 704 D C 2.028 178.307 176.300 -0.036 0.000 0.978 704 D CA 1.314 55.285 54.000 -0.048 0.000 0.833 704 D CB 0.056 40.848 40.800 -0.014 0.000 0.961 704 D HN 0.450 nan 8.370 nan 0.000 0.470 705 A N 0.104 122.908 122.820 -0.026 0.000 1.929 705 A HA -0.031 4.290 4.320 0.001 0.000 0.216 705 A C 2.496 180.074 177.584 -0.011 0.000 1.176 705 A CA 1.769 53.798 52.037 -0.015 0.000 0.628 705 A CB -0.893 18.103 19.000 -0.007 0.000 0.816 705 A HN 0.283 nan 8.150 nan 0.000 0.444 706 V N -1.847 118.056 119.914 -0.019 0.000 2.515 706 V HA -0.169 3.952 4.120 0.001 0.000 0.250 706 V C 2.216 178.306 176.094 -0.006 0.000 1.058 706 V CA 1.869 64.169 62.300 0.001 0.000 1.064 706 V CB -0.971 30.852 31.823 0.001 0.000 0.675 706 V HN 0.419 nan 8.190 nan 0.000 0.461 707 L N -0.388 120.811 121.223 -0.041 0.000 2.109 707 L HA -0.068 4.273 4.340 0.001 0.000 0.207 707 L C 2.840 179.714 176.870 0.008 0.000 1.086 707 L CA 1.779 56.605 54.840 -0.023 0.000 0.760 707 L CB -0.512 41.522 42.059 -0.041 0.000 0.910 707 L HN 0.258 nan 8.230 nan 0.000 0.437 708 K N -0.079 120.322 120.400 0.002 0.000 2.097 708 K HA -0.174 4.146 4.320 0.001 0.000 0.205 708 K C 1.981 178.589 176.600 0.013 0.000 1.050 708 K CA 1.118 57.408 56.287 0.004 0.000 0.938 708 K CB -0.034 32.462 32.500 -0.008 0.000 0.718 708 K HN 0.293 nan 8.250 nan 0.000 0.442 709 E N 0.725 120.943 120.200 0.030 0.000 2.058 709 E HA -0.195 4.156 4.350 0.001 0.000 0.194 709 E C 1.905 178.580 176.600 0.125 0.000 0.997 709 E CA 1.114 57.546 56.400 0.054 0.000 0.801 709 E CB -0.033 29.750 29.700 0.137 0.000 0.746 709 E HN 0.234 nan 8.360 nan 0.000 0.450 710 L N 0.473 121.791 121.223 0.159 0.000 2.217 710 L HA -0.128 4.213 4.340 0.001 0.000 0.211 710 L C 1.985 178.990 176.870 0.225 0.000 1.107 710 L CA 0.888 55.863 54.840 0.225 0.000 0.783 710 L CB -0.092 42.013 42.059 0.077 0.000 0.919 710 L HN 0.079 nan 8.230 nan 0.000 0.442 711 E N -0.565 119.696 120.200 0.101 0.000 2.358 711 E HA -0.118 4.233 4.350 0.001 0.000 0.195 711 E C 2.137 178.728 176.600 -0.015 0.000 1.010 711 E CA 1.053 57.477 56.400 0.039 0.000 0.856 711 E CB 0.099 29.809 29.700 0.016 0.000 0.795 711 E HN 0.460 nan 8.360 nan 0.000 0.504 712 S N -0.832 114.863 115.700 -0.008 0.000 2.496 712 S HA 0.124 4.594 4.470 0.001 0.000 0.224 712 S C 1.737 176.291 174.600 -0.077 0.000 0.996 712 S CA 0.429 58.598 58.200 -0.052 0.000 0.927 712 S CB 0.409 63.574 63.200 -0.059 0.000 0.774 712 S HN 0.340 nan 8.310 nan 0.000 0.524 713 G N 1.804 110.569 108.800 -0.059 0.000 2.175 713 G HA2 -0.330 3.631 3.960 0.001 0.000 0.244 713 G HA3 -0.330 3.631 3.960 0.001 0.000 0.244 713 G C 0.716 175.564 174.900 -0.086 0.000 0.982 713 G CA 0.498 45.550 45.100 -0.080 0.000 0.641 713 G HN 0.594 nan 8.290 nan 0.000 0.527 714 K N -0.511 119.801 120.400 -0.146 0.000 2.103 714 K HA -0.062 4.259 4.320 0.001 0.000 0.207 714 K C 1.617 177.988 176.600 -0.382 0.000 1.048 714 K CA 1.836 57.927 56.287 -0.327 0.000 0.930 714 K CB -0.194 31.971 32.500 -0.558 0.000 0.716 714 K HN 0.508 nan 8.250 nan 0.000 0.444 715 Y N -0.320 120.018 120.300 0.065 0.000 2.458 715 Y HA 0.154 4.704 4.550 0.001 0.000 0.256 715 Y C 0.806 176.729 175.900 0.038 0.000 1.159 715 Y CA -0.019 58.120 58.100 0.066 0.000 1.261 715 Y CB 0.939 39.444 38.460 0.076 0.000 1.119 715 Y HN 0.106 nan 8.280 nan 0.000 0.524 716 S N -1.839 113.904 115.700 0.072 0.000 3.021 716 S HA 0.199 4.670 4.470 0.001 0.000 0.252 716 S C -0.219 174.359 174.600 -0.036 0.000 0.996 716 S CA -0.217 57.959 58.200 -0.040 0.000 1.084 716 S CB -0.108 62.936 63.200 -0.260 0.000 1.021 716 S HN 0.236 nan 8.310 nan 0.000 0.566 717 D N 1.255 121.642 120.400 -0.021 0.000 2.723 717 D HA -0.142 4.499 4.640 0.001 0.000 0.236 717 D C 1.168 177.444 176.300 -0.040 0.000 1.138 717 D CA 1.765 55.751 54.000 -0.023 0.000 0.676 717 D CB -1.556 39.242 40.800 -0.003 0.000 1.069 717 D HN 1.304 nan 8.370 nan 0.000 0.430 718 G N 0.145 108.909 108.800 -0.060 0.000 2.199 718 G HA2 -0.325 3.636 3.960 0.001 0.000 0.254 718 G HA3 -0.325 3.636 3.960 0.001 0.000 0.254 718 G C 0.003 174.849 174.900 -0.090 0.000 0.982 718 G CA 0.370 45.428 45.100 -0.070 0.000 0.632 718 G HN 0.715 nan 8.290 nan 0.000 0.529 719 D N 0.790 121.131 120.400 -0.099 0.000 2.374 719 D HA 0.394 5.035 4.640 0.001 0.000 0.240 719 D C 1.508 177.690 176.300 -0.196 0.000 1.229 719 D CA -0.238 53.689 54.000 -0.122 0.000 0.895 719 D CB 0.358 41.103 40.800 -0.091 0.000 1.046 719 D HN 0.340 nan 8.370 nan 0.000 0.498 720 K N 2.079 122.317 120.400 -0.269 0.000 2.362 720 K HA -0.095 4.226 4.320 0.001 0.000 0.200 720 K C 0.683 177.026 176.600 -0.428 0.000 1.046 720 K CA 0.654 56.724 56.287 -0.362 0.000 0.952 720 K CB 0.193 32.420 32.500 -0.455 0.000 0.753 720 K HN 0.548 nan 8.250 nan 0.000 0.466 721 H N -0.753 118.263 119.070 -0.090 0.000 2.529 721 H HA 0.231 4.788 4.556 0.001 0.000 0.277 721 H C 1.626 176.874 175.328 -0.134 0.000 1.004 721 H CA 0.214 56.212 56.048 -0.083 0.000 1.167 721 H CB 0.342 30.080 29.762 -0.040 0.000 1.445 721 H HN 0.165 nan 8.280 nan 0.000 0.554 722 A N 0.670 123.356 122.820 -0.224 0.000 1.908 722 A HA -0.162 4.159 4.320 0.001 0.000 0.218 722 A C 1.025 178.382 177.584 -0.377 0.000 1.181 722 A CA 1.344 53.129 52.037 -0.420 0.000 0.627 722 A CB -0.557 17.832 19.000 -1.017 0.000 0.818 722 A HN 0.190 nan 8.150 nan 0.000 0.445 723 F N -0.259 119.738 119.950 0.078 0.000 2.708 723 F HA 0.225 4.753 4.527 0.001 0.000 0.300 723 F C 1.050 176.851 175.800 0.002 0.000 1.118 723 F CA -1.109 56.917 58.000 0.043 0.000 1.307 723 F CB -0.176 38.811 39.000 -0.022 0.000 0.986 723 F HN 0.068 nan 8.300 nan 0.000 0.522 724 D N 0.764 121.217 120.400 0.088 0.000 2.133 724 D HA -0.227 4.414 4.640 0.001 0.000 0.192 724 D C 2.025 178.281 176.300 -0.073 0.000 1.001 724 D CA 1.666 55.610 54.000 -0.094 0.000 0.844 724 D CB -0.014 40.775 40.800 -0.019 0.000 0.944 724 D HN 0.387 nan 8.370 nan 0.000 0.447 725 Q N -0.521 119.341 119.800 0.104 0.000 2.050 725 Q HA -0.134 4.206 4.340 0.001 0.000 0.202 725 Q C 2.278 178.364 176.000 0.144 0.000 0.980 725 Q CA 1.039 56.938 55.803 0.160 0.000 0.840 725 Q CB -0.140 28.694 28.738 0.159 0.000 0.898 725 Q HN 0.348 nan 8.270 nan 0.000 0.424 726 M N 0.156 119.834 119.600 0.129 0.000 2.086 726 M HA -0.185 4.296 4.480 0.001 0.000 0.261 726 M C 1.593 177.970 176.300 0.128 0.000 1.067 726 M CA 1.238 56.605 55.300 0.111 0.000 1.116 726 M CB 0.082 32.731 32.600 0.082 0.000 1.348 726 M HN 0.200 nan 8.290 nan 0.000 0.407 727 L N -0.026 121.245 121.223 0.079 0.000 2.046 727 L HA -0.220 4.121 4.340 0.001 0.000 0.208 727 L C 2.573 179.482 176.870 0.066 0.000 1.077 727 L CA 1.794 56.658 54.840 0.040 0.000 0.747 727 L CB -2.039 40.006 42.059 -0.023 0.000 0.896 727 L HN 0.385 nan 8.230 nan 0.000 0.432 728 H N -0.885 118.254 119.070 0.115 0.000 2.387 728 H HA -0.074 4.482 4.556 0.001 0.000 0.299 728 H C 2.445 177.834 175.328 0.102 0.000 1.090 728 H CA 1.525 57.630 56.048 0.094 0.000 1.332 728 H CB -0.304 29.509 29.762 0.084 0.000 1.386 728 H HN 0.417 nan 8.280 nan 0.000 0.516 729 S N 0.881 116.726 115.700 0.243 0.000 2.402 729 S HA -0.071 4.400 4.470 0.001 0.000 0.229 729 S C 1.900 176.627 174.600 0.211 0.000 1.021 729 S CA 1.094 59.428 58.200 0.222 0.000 0.974 729 S CB -0.562 62.778 63.200 0.233 0.000 0.800 729 S HN 0.564 nan 8.310 nan 0.000 0.484 730 I N -1.592 119.094 120.570 0.193 0.000 3.928 730 I HA 0.522 4.693 4.170 0.001 0.000 0.335 730 I C 0.950 177.124 176.117 0.095 0.000 1.325 730 I CA -0.383 61.010 61.300 0.156 0.000 1.107 730 I CB -0.325 37.760 38.000 0.142 0.000 1.014 730 I HN 0.287 nan 8.210 nan 0.000 0.400 731 G N 1.015 109.876 108.800 0.101 0.000 2.940 731 G HA2 0.234 4.195 3.960 0.001 0.000 0.164 731 G HA3 0.234 4.195 3.960 0.001 0.000 0.164 731 G C 0.461 175.394 174.900 0.054 0.000 1.326 731 G CA -0.213 44.930 45.100 0.072 0.000 1.020 731 G HN -0.153 nan 8.290 nan 0.000 0.586 732 K N -0.314 120.120 120.400 0.056 0.000 2.001 732 K HA -0.063 4.258 4.320 0.001 0.000 0.208 732 K C 2.804 179.422 176.600 0.031 0.000 1.048 732 K CA 1.413 57.716 56.287 0.027 0.000 0.932 732 K CB -0.687 31.830 32.500 0.028 0.000 0.715 732 K HN 0.403 nan 8.250 nan 0.000 0.437 733 Q N -1.114 118.716 119.800 0.049 0.000 2.133 733 Q HA -0.131 4.209 4.340 0.001 0.000 0.208 733 Q C 1.941 177.959 176.000 0.029 0.000 0.991 733 Q CA 2.078 57.885 55.803 0.005 0.000 0.867 733 Q CB -0.562 28.140 28.738 -0.062 0.000 0.911 733 Q HN 0.491 nan 8.270 nan 0.000 0.417 734 G N -2.669 106.176 108.800 0.075 0.000 2.848 734 G HA2 0.363 4.323 3.960 0.001 0.000 0.213 734 G HA3 0.363 4.323 3.960 0.001 0.000 0.213 734 G C 0.901 175.844 174.900 0.072 0.000 1.101 734 G CA 0.210 45.362 45.100 0.087 0.000 0.778 734 G HN 0.553 nan 8.290 nan 0.000 0.536 735 G N 0.516 109.348 108.800 0.053 0.000 2.179 735 G HA2 -0.272 3.689 3.960 0.001 0.000 0.260 735 G HA3 -0.272 3.689 3.960 0.001 0.000 0.260 735 G C 0.316 175.260 174.900 0.074 0.000 0.977 735 G CA 0.870 45.987 45.100 0.028 0.000 0.641 735 G HN 1.172 nan 8.290 nan 0.000 0.533 736 D N -0.841 119.632 120.400 0.121 0.000 2.737 736 D HA -0.140 4.500 4.640 0.001 0.000 0.238 736 D C -0.110 176.319 176.300 0.214 0.000 1.157 736 D CA 1.185 55.305 54.000 0.200 0.000 0.694 736 D CB -0.362 40.559 40.800 0.202 0.000 1.021 736 D HN 0.391 nan 8.370 nan 0.000 0.420 737 P HA -0.164 nan 4.420 nan 0.000 0.219 737 P C 0.887 178.002 177.300 -0.309 0.000 1.146 737 P CA 1.227 64.228 63.100 -0.165 0.000 0.808 737 P CB -0.118 31.362 31.700 -0.367 0.000 0.779 738 Y N -0.985 119.379 120.300 0.105 0.000 2.524 738 Y HA 0.283 4.834 4.550 0.001 0.000 0.266 738 Y C 1.254 177.148 175.900 -0.009 0.000 1.180 738 Y CA -0.437 57.704 58.100 0.068 0.000 1.244 738 Y CB -0.298 38.259 38.460 0.162 0.000 1.125 738 Y HN -0.284 nan 8.280 nan 0.000 0.524 739 L N -0.543 120.709 121.223 0.049 0.000 3.597 739 L HA -0.321 4.020 4.340 0.001 0.000 0.440 739 L C 0.952 177.815 176.870 -0.011 0.000 1.277 739 L CA -0.189 54.584 54.840 -0.111 0.000 0.852 739 L CB -2.199 39.650 42.059 -0.351 0.000 1.708 739 L HN 0.143 nan 8.230 nan 0.000 0.885 740 V N -0.427 119.520 119.914 0.054 0.000 2.261 740 V HA -0.309 3.812 4.120 0.001 0.000 0.246 740 V C 2.455 178.600 176.094 0.084 0.000 1.047 740 V CA 2.471 64.775 62.300 0.006 0.000 1.015 740 V CB -0.222 31.522 31.823 -0.132 0.000 0.642 740 V HN 0.511 nan 8.190 nan 0.000 0.446 741 M N 0.149 119.806 119.600 0.095 0.000 2.065 741 M HA -0.149 4.332 4.480 0.001 0.000 0.259 741 M C 2.410 178.771 176.300 0.102 0.000 1.069 741 M CA 2.419 57.797 55.300 0.130 0.000 1.110 741 M CB -1.604 31.086 32.600 0.149 0.000 1.328 741 M HN 0.399 nan 8.290 nan 0.000 0.405 742 A N -0.355 122.326 122.820 -0.232 0.000 2.067 742 A HA -0.144 4.177 4.320 0.001 0.000 0.219 742 A C 1.769 179.296 177.584 -0.095 0.000 1.158 742 A CA 1.635 53.213 52.037 -0.766 0.000 0.661 742 A CB -0.490 17.793 19.000 -1.194 0.000 0.801 742 A HN 0.429 nan 8.150 nan 0.000 0.452 743 D N -2.110 118.342 120.400 0.086 0.000 2.360 743 D HA 0.088 4.729 4.640 0.001 0.000 0.210 743 D C 1.232 177.714 176.300 0.304 0.000 1.047 743 D CA -0.064 54.064 54.000 0.212 0.000 0.854 743 D CB -0.123 40.795 40.800 0.197 0.000 0.936 743 D HN 0.373 nan 8.370 nan 0.000 0.514 744 F N 2.509 122.560 119.950 0.168 0.000 2.043 744 F HA -0.291 4.236 4.527 0.001 0.000 0.297 744 F C 2.203 178.113 175.800 0.183 0.000 1.121 744 F CA 2.022 60.136 58.000 0.190 0.000 1.199 744 F CB -0.314 38.790 39.000 0.172 0.000 0.968 744 F HN -0.026 nan 8.300 nan 0.000 0.478 745 A N 0.026 122.999 122.820 0.255 0.000 1.933 745 A HA -0.056 4.265 4.320 0.001 0.000 0.218 745 A C 2.347 179.921 177.584 -0.017 0.000 1.175 745 A CA 1.886 53.982 52.037 0.098 0.000 0.628 745 A CB -1.568 17.581 19.000 0.248 0.000 0.814 745 A HN 0.538 nan 8.150 nan 0.000 0.444 746 A N -1.863 121.005 122.820 0.081 0.000 2.014 746 A HA 0.006 4.326 4.320 0.001 0.000 0.218 746 A C 2.088 179.651 177.584 -0.036 0.000 1.163 746 A CA 1.513 53.605 52.037 0.092 0.000 0.652 746 A CB -0.628 18.490 19.000 0.198 0.000 0.808 746 A HN 0.671 nan 8.150 nan 0.000 0.449 747 Y N 0.787 120.859 120.300 -0.381 0.000 2.153 747 Y HA -0.128 4.423 4.550 0.001 0.000 0.289 747 Y C 2.346 177.759 175.900 -0.811 0.000 1.127 747 Y CA 1.560 59.064 58.100 -0.993 0.000 1.131 747 Y CB -0.693 37.312 38.460 -0.759 0.000 0.995 747 Y HN 0.053 nan 8.280 nan 0.000 0.505 748 V N 0.838 120.282 119.914 -0.783 0.000 2.324 748 V HA -0.295 3.825 4.120 0.001 0.000 0.250 748 V C 2.401 178.226 176.094 -0.448 0.000 1.060 748 V CA 2.309 64.172 62.300 -0.728 0.000 1.042 748 V CB -0.806 30.666 31.823 -0.585 0.000 0.650 748 V HN 0.341 nan 8.190 nan 0.000 0.450 749 E N 0.860 120.883 120.200 -0.296 0.000 2.077 749 E HA -0.175 4.176 4.350 0.001 0.000 0.193 749 E C 2.077 178.581 176.600 -0.160 0.000 0.989 749 E CA 1.806 58.113 56.400 -0.155 0.000 0.800 749 E CB -0.477 29.185 29.700 -0.063 0.000 0.746 749 E HN 0.530 nan 8.360 nan 0.000 0.452 750 A N 0.222 122.904 122.820 -0.230 0.000 1.970 750 A HA -0.087 4.233 4.320 0.001 0.000 0.216 750 A C 2.086 179.487 177.584 -0.305 0.000 1.170 750 A CA 1.082 53.033 52.037 -0.144 0.000 0.645 750 A CB -0.344 18.609 19.000 -0.079 0.000 0.816 750 A HN 0.200 nan 8.150 nan 0.000 0.447 751 Q N 0.049 119.542 119.800 -0.512 0.000 2.224 751 Q HA -0.119 4.222 4.340 0.001 0.000 0.203 751 Q C 1.785 177.601 176.000 -0.306 0.000 0.970 751 Q CA 1.308 56.791 55.803 -0.535 0.000 0.865 751 Q CB -0.216 27.998 28.738 -0.874 0.000 0.922 751 Q HN 0.689 nan 8.270 nan 0.000 0.445 752 K N 0.648 120.915 120.400 -0.222 0.000 2.057 752 K HA -0.164 4.157 4.320 0.001 0.000 0.207 752 K C 2.073 178.634 176.600 -0.065 0.000 1.049 752 K CA 1.179 57.403 56.287 -0.106 0.000 0.931 752 K CB 0.043 32.501 32.500 -0.069 0.000 0.714 752 K HN 0.236 nan 8.250 nan 0.000 0.440 753 Q N 0.099 119.869 119.800 -0.050 0.000 2.291 753 Q HA -0.097 4.243 4.340 0.001 0.000 0.205 753 Q C 1.951 177.991 176.000 0.066 0.000 0.970 753 Q CA 0.767 56.623 55.803 0.090 0.000 0.876 753 Q CB 0.103 29.001 28.738 0.266 0.000 0.935 753 Q HN 0.093 nan 8.270 nan 0.000 0.455 754 V N 1.320 121.064 119.914 -0.284 0.000 2.295 754 V HA -0.288 3.833 4.120 0.001 0.000 0.246 754 V C 1.301 177.424 176.094 0.049 0.000 1.049 754 V CA 2.195 64.321 62.300 -0.290 0.000 1.024 754 V CB -0.526 31.031 31.823 -0.444 0.000 0.648 754 V HN 0.342 nan 8.190 nan 0.000 0.447 755 D N 0.110 120.497 120.400 -0.023 0.000 2.127 755 D HA -0.192 4.449 4.640 0.001 0.000 0.190 755 D C 2.112 178.471 176.300 0.098 0.000 1.000 755 D CA 1.755 55.764 54.000 0.014 0.000 0.839 755 D CB -0.606 40.188 40.800 -0.011 0.000 0.955 755 D HN 0.259 nan 8.370 nan 0.000 0.446 756 V N 0.405 120.385 119.914 0.110 0.000 2.252 756 V HA -0.253 3.868 4.120 0.001 0.000 0.249 756 V C 2.368 178.585 176.094 0.205 0.000 1.056 756 V CA 1.498 63.879 62.300 0.135 0.000 1.022 756 V CB -0.563 31.338 31.823 0.131 0.000 0.641 756 V HN 0.178 nan 8.190 nan 0.000 0.445 757 L N -1.024 120.404 121.223 0.341 0.000 2.046 757 L HA -0.172 4.169 4.340 0.001 0.000 0.208 757 L C 2.249 179.420 176.870 0.501 0.000 1.077 757 L CA 1.972 57.097 54.840 0.476 0.000 0.747 757 L CB -0.871 41.614 42.059 0.709 0.000 0.896 757 L HN 0.459 nan 8.230 nan 0.000 0.432 758 Y N -0.169 120.266 120.300 0.226 0.000 2.352 758 Y HA -0.159 4.391 4.550 0.001 0.000 0.292 758 Y C 2.593 178.383 175.900 -0.184 0.000 1.136 758 Y CA 1.342 59.249 58.100 -0.322 0.000 1.227 758 Y CB -0.052 37.981 38.460 -0.712 0.000 0.991 758 Y HN 0.130 nan 8.280 nan 0.000 0.545 759 R N -0.400 120.104 120.500 0.008 0.000 2.090 759 R HA -0.103 4.238 4.340 0.001 0.000 0.228 759 R C 0.352 176.621 176.300 -0.052 0.000 1.110 759 R CA 1.110 57.192 56.100 -0.030 0.000 0.973 759 R CB -0.265 30.052 30.300 0.028 0.000 0.869 759 R HN 0.148 nan 8.270 nan 0.000 0.440 760 D N 1.050 121.457 120.400 0.012 0.000 2.558 760 D HA -0.020 4.620 4.640 0.001 0.000 0.221 760 D C 0.808 177.121 176.300 0.022 0.000 1.143 760 D CA 0.055 54.070 54.000 0.025 0.000 1.010 760 D CB 0.644 41.485 40.800 0.068 0.000 1.068 760 D HN -0.077 nan 8.370 nan 0.000 0.511 761 Q N 1.319 121.077 119.800 -0.069 0.000 2.248 761 Q HA -0.194 4.147 4.340 0.001 0.000 0.208 761 Q C 1.479 177.493 176.000 0.024 0.000 0.984 761 Q CA 0.894 56.642 55.803 -0.093 0.000 0.875 761 Q CB 0.099 28.732 28.738 -0.176 0.000 0.910 761 Q HN 0.687 nan 8.270 nan 0.000 0.433 762 E N -0.555 119.661 120.200 0.027 0.000 2.047 762 E HA -0.133 4.217 4.350 0.001 0.000 0.191 762 E C 1.731 178.369 176.600 0.063 0.000 0.987 762 E CA 0.945 57.369 56.400 0.041 0.000 0.799 762 E CB 0.068 29.783 29.700 0.024 0.000 0.752 762 E HN 0.295 nan 8.360 nan 0.000 0.449 763 A N 1.693 124.559 122.820 0.076 0.000 1.930 763 A HA -0.176 4.145 4.320 0.001 0.000 0.217 763 A C 1.991 179.640 177.584 0.108 0.000 1.175 763 A CA 1.076 53.158 52.037 0.075 0.000 0.627 763 A CB -1.099 17.949 19.000 0.080 0.000 0.815 763 A HN 0.674 nan 8.150 nan 0.000 0.443 764 W N 1.195 122.489 121.300 -0.011 0.000 2.352 764 W HA -0.171 4.489 4.660 0.001 0.000 0.322 764 W C 1.963 178.490 176.519 0.013 0.000 1.208 764 W CA 2.448 59.804 57.345 0.018 0.000 1.286 764 W CB -0.916 28.523 29.460 -0.035 0.000 1.167 764 W HN 0.366 nan 8.180 nan 0.000 0.469 765 T N 1.177 115.890 114.554 0.264 0.000 2.737 765 T HA -0.247 4.103 4.350 0.001 0.000 0.269 765 T C 1.835 176.509 174.700 -0.043 0.000 1.040 765 T CA 2.067 64.253 62.100 0.143 0.000 1.142 765 T CB -0.368 68.591 68.868 0.153 0.000 0.861 765 T HN 0.141 nan 8.240 nan 0.000 0.456 766 R N 0.793 121.275 120.500 -0.031 0.000 2.080 766 R HA -0.044 4.297 4.340 0.001 0.000 0.236 766 R C 2.827 179.046 176.300 -0.134 0.000 1.137 766 R CA 1.528 57.581 56.100 -0.079 0.000 0.943 766 R CB -0.587 29.682 30.300 -0.051 0.000 0.846 766 R HN 0.391 nan 8.270 nan 0.000 0.431 767 A N 0.704 123.432 122.820 -0.153 0.000 1.908 767 A HA -0.154 4.166 4.320 0.001 0.000 0.218 767 A C 2.312 179.765 177.584 -0.217 0.000 1.181 767 A CA 1.831 53.742 52.037 -0.210 0.000 0.627 767 A CB -0.758 18.068 19.000 -0.290 0.000 0.818 767 A HN 0.456 nan 8.150 nan 0.000 0.445 768 A N -0.213 122.473 122.820 -0.224 0.000 1.898 768 A HA -0.044 4.276 4.320 0.001 0.000 0.216 768 A C 2.109 179.628 177.584 -0.108 0.000 1.181 768 A CA 1.438 53.413 52.037 -0.102 0.000 0.620 768 A CB -0.589 18.461 19.000 0.082 0.000 0.819 768 A HN 0.474 nan 8.150 nan 0.000 0.442 769 I N -0.269 120.075 120.570 -0.378 0.000 2.208 769 I HA -0.282 3.888 4.170 0.001 0.000 0.245 769 I C 2.253 178.270 176.117 -0.167 0.000 1.097 769 I CA 1.273 62.288 61.300 -0.474 0.000 1.363 769 I CB -0.239 37.499 38.000 -0.437 0.000 1.051 769 I HN 0.283 nan 8.210 nan 0.000 0.413 770 L N 0.003 121.144 121.223 -0.137 0.000 2.291 770 L HA -0.157 4.183 4.340 0.001 0.000 0.214 770 L C 2.196 179.035 176.870 -0.051 0.000 1.120 770 L CA 0.961 55.748 54.840 -0.088 0.000 0.799 770 L CB -0.681 41.321 42.059 -0.095 0.000 0.925 770 L HN 0.339 nan 8.230 nan 0.000 0.446 771 N N -0.550 118.120 118.700 -0.049 0.000 2.106 771 N HA -0.145 4.595 4.740 0.001 0.000 0.188 771 N C 1.703 177.233 175.510 0.034 0.000 1.029 771 N CA 1.864 54.906 53.050 -0.013 0.000 0.848 771 N CB -0.046 38.425 38.487 -0.026 0.000 1.007 771 N HN 0.280 nan 8.380 nan 0.000 0.423 772 T N 1.200 115.789 114.554 0.058 0.000 2.665 772 T HA -0.142 4.208 4.350 0.001 0.000 0.268 772 T C 1.953 176.682 174.700 0.048 0.000 1.035 772 T CA 1.548 63.695 62.100 0.079 0.000 1.151 772 T CB -0.246 68.714 68.868 0.154 0.000 0.862 772 T HN 0.340 nan 8.240 nan 0.000 0.438 773 A N 0.983 123.816 122.820 0.021 0.000 2.016 773 A HA 0.077 4.398 4.320 0.001 0.000 0.217 773 A C 2.147 179.741 177.584 0.018 0.000 1.162 773 A CA 0.719 52.761 52.037 0.007 0.000 0.662 773 A CB -0.193 18.796 19.000 -0.018 0.000 0.812 773 A HN 0.387 nan 8.150 nan 0.000 0.450 774 R N -1.780 118.737 120.500 0.028 0.000 2.388 774 R HA 0.173 4.514 4.340 0.001 0.000 0.247 774 R C 0.158 176.515 176.300 0.095 0.000 0.931 774 R CA 0.022 56.145 56.100 0.038 0.000 1.082 774 R CB -0.128 30.187 30.300 0.025 0.000 1.135 774 R HN 0.434 nan 8.270 nan 0.000 0.525 775 C N -0.048 119.334 119.300 0.137 0.000 2.881 775 C HA 0.220 4.681 4.460 0.001 0.000 0.290 775 C C 2.184 177.305 174.990 0.219 0.000 1.362 775 C CA -0.586 58.615 59.018 0.305 0.000 1.757 775 C CB -0.282 27.645 27.740 0.313 0.000 2.265 775 C HN 0.694 nan 8.230 nan 0.000 0.600 776 G N 2.171 111.017 108.800 0.076 0.000 2.505 776 G HA2 -0.360 3.601 3.960 0.001 0.000 0.220 776 G HA3 -0.360 3.601 3.960 0.001 0.000 0.220 776 G C 1.585 176.460 174.900 -0.042 0.000 1.145 776 G CA 1.536 46.658 45.100 0.037 0.000 0.761 776 G HN 0.696 nan 8.290 nan 0.000 0.571 777 M N -1.334 118.133 119.600 -0.221 0.000 2.539 777 M HA 0.245 4.725 4.480 0.001 0.000 0.261 777 M C 1.228 177.250 176.300 -0.463 0.000 1.069 777 M CA 1.296 56.359 55.300 -0.394 0.000 1.081 777 M CB -0.333 31.931 32.600 -0.560 0.000 1.412 777 M HN 0.052 nan 8.290 nan 0.000 0.482 778 F N 0.429 120.407 119.950 0.047 0.000 2.693 778 F HA 0.356 4.884 4.527 0.001 0.000 0.303 778 F C 1.350 177.199 175.800 0.082 0.000 1.097 778 F CA -0.469 57.565 58.000 0.056 0.000 1.330 778 F CB -0.465 38.558 39.000 0.038 0.000 1.067 778 F HN 0.109 nan 8.300 nan 0.000 0.565 779 S N 0.386 116.192 115.700 0.177 0.000 2.558 779 S HA 0.001 4.472 4.470 0.001 0.000 0.288 779 S C 1.588 176.286 174.600 0.164 0.000 1.318 779 S CA 0.243 58.539 58.200 0.159 0.000 1.056 779 S CB 0.590 63.855 63.200 0.108 0.000 0.853 779 S HN 0.406 nan 8.310 nan 0.000 0.505 780 S N 3.062 118.883 115.700 0.202 0.000 2.461 780 S HA -0.063 4.408 4.470 0.001 0.000 0.228 780 S C 1.079 175.758 174.600 0.132 0.000 1.005 780 S CA 0.658 59.013 58.200 0.258 0.000 0.942 780 S CB -0.329 63.094 63.200 0.371 0.000 0.776 780 S HN 0.790 nan 8.310 nan 0.000 0.514 781 D N 1.926 122.380 120.400 0.090 0.000 2.149 781 D HA -0.119 4.522 4.640 0.001 0.000 0.198 781 D C 2.063 178.373 176.300 0.016 0.000 0.990 781 D CA 0.880 54.905 54.000 0.041 0.000 0.839 781 D CB -0.340 40.479 40.800 0.031 0.000 0.948 781 D HN 0.303 nan 8.370 nan 0.000 0.460 782 R N 0.983 121.495 120.500 0.020 0.000 2.075 782 R HA -0.033 4.307 4.340 0.001 0.000 0.232 782 R C 2.084 178.365 176.300 -0.032 0.000 1.126 782 R CA 0.842 56.934 56.100 -0.013 0.000 0.963 782 R CB -0.335 29.948 30.300 -0.028 0.000 0.858 782 R HN 0.039 nan 8.270 nan 0.000 0.435 783 S N 1.276 116.979 115.700 0.005 0.000 2.365 783 S HA -0.144 4.327 4.470 0.001 0.000 0.225 783 S C 1.976 176.508 174.600 -0.114 0.000 1.039 783 S CA 1.281 59.469 58.200 -0.021 0.000 1.033 783 S CB -0.197 63.082 63.200 0.131 0.000 0.887 783 S HN 0.194 nan 8.310 nan 0.000 0.447 784 I N 1.538 122.021 120.570 -0.145 0.000 2.142 784 I HA -0.077 4.094 4.170 0.001 0.000 0.240 784 I C 2.431 178.517 176.117 -0.053 0.000 1.078 784 I CA 1.278 62.514 61.300 -0.107 0.000 1.343 784 I CB -1.338 36.646 38.000 -0.026 0.000 1.046 784 I HN 0.107 nan 8.210 nan 0.000 0.405 785 R N 1.262 121.740 120.500 -0.037 0.000 2.133 785 R HA -0.199 4.141 4.340 0.001 0.000 0.247 785 R C 1.843 178.090 176.300 -0.087 0.000 1.151 785 R CA 1.483 57.561 56.100 -0.036 0.000 0.971 785 R CB -0.862 29.421 30.300 -0.030 0.000 0.866 785 R HN 0.412 nan 8.270 nan 0.000 0.447 786 D N -1.456 118.856 120.400 -0.146 0.000 2.103 786 D HA -0.101 4.540 4.640 0.001 0.000 0.199 786 D C 1.857 177.952 176.300 -0.341 0.000 0.978 786 D CA 1.042 54.910 54.000 -0.220 0.000 0.829 786 D CB -0.395 40.250 40.800 -0.257 0.000 0.981 786 D HN 0.190 nan 8.370 nan 0.000 0.464 787 Y N 1.640 121.642 120.300 -0.497 0.000 2.151 787 Y HA -0.218 4.332 4.550 0.001 0.000 0.284 787 Y C 2.599 178.096 175.900 -0.671 0.000 1.166 787 Y CA 1.458 59.022 58.100 -0.893 0.000 1.163 787 Y CB -0.343 37.040 38.460 -1.796 0.000 0.974 787 Y HN 0.070 nan 8.280 nan 0.000 0.511 788 Q N -0.853 118.843 119.800 -0.173 0.000 2.050 788 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 788 Q C 2.605 178.610 176.000 0.007 0.000 0.980 788 Q CA 1.421 57.265 55.803 0.069 0.000 0.840 788 Q CB -0.418 28.398 28.738 0.129 0.000 0.898 788 Q HN 0.513 nan 8.270 nan 0.000 0.424 789 A N 1.165 123.957 122.820 -0.047 0.000 1.898 789 A HA -0.161 4.160 4.320 0.001 0.000 0.216 789 A C 1.978 179.528 177.584 -0.057 0.000 1.181 789 A CA 1.282 53.296 52.037 -0.038 0.000 0.620 789 A CB -0.274 18.700 19.000 -0.043 0.000 0.819 789 A HN 0.189 nan 8.150 nan 0.000 0.442 790 R N -1.508 118.912 120.500 -0.133 0.000 2.161 790 R HA 0.307 4.648 4.340 0.001 0.000 0.213 790 R C 1.148 177.313 176.300 -0.225 0.000 1.055 790 R CA 1.243 57.238 56.100 -0.174 0.000 0.996 790 R CB 0.002 30.147 30.300 -0.258 0.000 0.901 790 R HN 0.566 nan 8.270 nan 0.000 0.456 791 I N -2.935 117.537 120.570 -0.163 0.000 3.680 791 I HA -0.006 4.165 4.170 0.001 0.000 0.261 791 I C 1.156 177.426 176.117 0.254 0.000 1.121 791 I CA -0.217 61.086 61.300 0.005 0.000 1.429 791 I CB -0.207 37.695 38.000 -0.163 0.000 1.719 791 I HN 0.035 nan 8.210 nan 0.000 0.413 792 W N 2.276 123.657 121.300 0.136 0.000 2.388 792 W HA -0.044 4.617 4.660 0.001 0.000 0.294 792 W C 1.797 178.336 176.519 0.034 0.000 1.212 792 W CA 0.738 58.150 57.345 0.111 0.000 1.271 792 W CB -0.588 28.926 29.460 0.089 0.000 1.126 792 W HN 0.253 nan 8.180 nan 0.000 0.535 793 Q N -1.071 118.859 119.800 0.217 0.000 2.179 793 Q HA 0.348 4.689 4.340 0.001 0.000 0.213 793 Q C 0.578 176.598 176.000 0.033 0.000 0.833 793 Q CA -0.000 55.864 55.803 0.101 0.000 0.990 793 Q CB -0.031 28.766 28.738 0.098 0.000 1.132 793 Q HN -0.011 nan 8.270 nan 0.000 0.493 794 A N 1.413 124.247 122.820 0.023 0.000 2.296 794 A HA 0.345 4.665 4.320 0.001 0.000 0.264 794 A C 0.203 177.754 177.584 -0.055 0.000 1.097 794 A CA -0.326 51.707 52.037 -0.007 0.000 0.811 794 A CB 0.417 19.423 19.000 0.010 0.000 1.072 794 A HN 0.138 nan 8.150 nan 0.000 0.495 795 K N 0.368 120.741 120.400 -0.046 0.000 2.249 795 K HA 0.350 4.670 4.320 0.001 0.000 0.280 795 K C -0.001 176.538 176.600 -0.101 0.000 1.033 795 K CA -0.190 56.056 56.287 -0.068 0.000 0.946 795 K CB 0.459 32.938 32.500 -0.034 0.000 1.005 795 K HN 0.749 nan 8.250 nan 0.000 0.469 796 R N 0.000 120.409 120.500 -0.152 0.000 2.786 796 R HA 0.000 4.341 4.340 0.001 0.000 0.208 796 R CA 0.000 55.998 56.100 -0.170 0.000 0.921 796 R CB 0.000 30.099 30.300 -0.336 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535