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 2j6h_1_B DATA FIRST_RESID 1 DATA SEQUENCE CGIVGAIAQR DVAEILLEGL RRLEYRGYDS AGLAVVDAEG HMTRLRRLGK DATA SEQUENCE VQMLAQAAEE HPLHGGTGIA HTRWATHGEP SEVNAHPHVS EHIVVVHNGI DATA SEQUENCE IENHEPLREE LKARGYTFVS ETDTEVIAHL VNWELKQGGT LREAVLRAIP DATA SEQUENCE QLRGAYGTVI MDSRHPDTLL AARSGSPLVI GLGMGENFIA SDQLALLPVT DATA SEQUENCE RRFIFLEEGD IAEITRRSVN IFDKTGAEVK RQDIESNLQY DAGDKGIYRH DATA SEQUENCE YMQKEIYEQP NAIKNTLTGR ISHGQVDLSE LGPNADELLS KVEHIQILAC DATA SEQUENCE GTSYNSGMVS RYWFESLAGI PCDVEIASEF RYRKSAVRRN SLMITLSQSG DATA SEQUENCE ETADTLAGLR LSKELGYLGS LAICNVPGSS LVRESDLALM TNAGTEIGVA DATA SEQUENCE STKAFTTQLT VLLMLVAKLS RLKGLDASIE HDIVHGLQAL PSRIEQMLSQ DATA SEQUENCE DKRIEALAED FSDKHHALFL GRGDQYPIAL EGALKLKEIS YIHAEAYAAG DATA SEQUENCE ELKHGPLALI DADMPVIVVA PNNELLEKLK SNIEEVRARG GQLYVFADQD DATA SEQUENCE AGFVSSDNMH IIEMPHVEEV IAPIFYTVPL QLLAYHVALI KGTDVDQPRN DATA SEQUENCE LAKSVTVE 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 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.854 174.990 -0.226 0.000 1.270 1 C CA 0.000 58.908 59.018 -0.184 0.000 1.963 1 C CB 0.000 27.668 27.740 -0.120 0.000 2.134 2 G N 1.366 109.967 108.800 -0.332 0.000 2.422 2 G HA2 0.693 4.653 3.960 0.000 0.000 0.317 2 G HA3 0.693 4.653 3.960 0.000 0.000 0.317 2 G C -0.698 174.116 174.900 -0.143 0.000 1.210 2 G CA -0.382 44.576 45.100 -0.237 0.000 0.930 2 G HN 0.974 nan 8.290 nan 0.000 0.468 3 I N 0.512 121.073 120.570 -0.015 0.000 2.412 3 I HA 0.804 4.974 4.170 0.000 0.000 0.296 3 I C -0.819 175.335 176.117 0.063 0.000 0.987 3 I CA -1.087 60.259 61.300 0.077 0.000 1.180 3 I CB 2.066 40.156 38.000 0.149 0.000 1.340 3 I HN 0.130 nan 8.210 nan 0.000 0.455 4 V N 4.061 124.024 119.914 0.081 0.000 2.914 4 V HA 0.949 5.069 4.120 0.000 0.000 0.314 4 V C 0.399 176.564 176.094 0.118 0.000 1.084 4 V CA -0.390 61.964 62.300 0.090 0.000 0.963 4 V CB 1.649 33.512 31.823 0.067 0.000 1.025 4 V HN 1.089 nan 8.190 nan 0.000 0.432 5 G N 0.840 109.727 108.800 0.145 0.000 2.690 5 G HA2 0.899 4.859 3.960 0.000 0.000 0.291 5 G HA3 0.899 4.859 3.960 0.000 0.000 0.291 5 G C -1.431 173.578 174.900 0.181 0.000 1.403 5 G CA -0.278 44.904 45.100 0.136 0.000 0.864 5 G HN 1.365 nan 8.290 nan 0.000 0.480 6 A N 0.574 123.450 122.820 0.092 0.000 2.532 6 A HA 0.629 4.949 4.320 0.000 0.000 0.296 6 A C -1.334 176.165 177.584 -0.142 0.000 1.058 6 A CA -0.490 51.538 52.037 -0.016 0.000 0.729 6 A CB 1.096 20.215 19.000 0.199 0.000 1.285 6 A HN 0.775 nan 8.150 nan 0.000 0.396 7 I N 1.914 122.283 120.570 -0.334 0.000 2.448 7 I HA 0.651 4.821 4.170 0.000 0.000 0.281 7 I C 0.284 176.240 176.117 -0.268 0.000 1.027 7 I CA -0.154 61.013 61.300 -0.222 0.000 1.111 7 I CB 0.735 38.638 38.000 -0.162 0.000 1.236 7 I HN 0.854 nan 8.210 nan 0.000 0.452 8 A N 5.546 128.278 122.820 -0.147 0.000 2.524 8 A HA 0.631 4.951 4.320 0.000 0.000 0.286 8 A C 0.452 178.013 177.584 -0.038 0.000 1.203 8 A CA -0.438 51.541 52.037 -0.096 0.000 0.736 8 A CB 1.888 20.869 19.000 -0.030 0.000 1.322 8 A HN 0.625 nan 8.150 nan 0.000 0.424 9 Q N -0.309 119.482 119.800 -0.015 0.000 2.134 9 Q HA 0.008 4.348 4.340 0.000 0.000 0.195 9 Q C 0.480 176.488 176.000 0.013 0.000 0.958 9 Q CA 0.815 56.617 55.803 -0.003 0.000 0.840 9 Q CB -0.148 28.590 28.738 -0.001 0.000 0.918 9 Q HN 0.744 nan 8.270 nan 0.000 0.467 10 R N 1.579 122.096 120.500 0.027 0.000 2.577 10 R HA 0.217 4.557 4.340 0.000 0.000 0.269 10 R C -0.591 175.744 176.300 0.059 0.000 1.084 10 R CA -0.675 55.451 56.100 0.043 0.000 1.163 10 R CB 0.301 30.633 30.300 0.053 0.000 1.100 10 R HN -0.190 nan 8.270 nan 0.000 0.547 11 D N 1.051 121.494 120.400 0.073 0.000 2.493 11 D HA 0.002 4.642 4.640 0.000 0.000 0.240 11 D C 0.853 177.212 176.300 0.098 0.000 1.142 11 D CA 0.083 54.139 54.000 0.094 0.000 0.872 11 D CB 1.354 42.229 40.800 0.125 0.000 1.173 11 D HN 0.520 nan 8.370 nan 0.000 0.467 12 V N 0.118 120.091 119.914 0.099 0.000 3.578 12 V HA 0.308 4.428 4.120 0.000 0.000 0.290 12 V C 1.677 177.836 176.094 0.107 0.000 1.376 12 V CA 0.458 62.833 62.300 0.125 0.000 1.083 12 V CB 0.141 32.048 31.823 0.139 0.000 0.911 12 V HN 0.462 nan 8.190 nan 0.000 0.433 13 A N 0.732 123.603 122.820 0.084 0.000 1.865 13 A HA -0.183 4.137 4.320 0.000 0.000 0.217 13 A C 2.173 179.791 177.584 0.056 0.000 1.191 13 A CA 2.221 54.297 52.037 0.064 0.000 0.623 13 A CB -0.577 18.450 19.000 0.046 0.000 0.826 13 A HN 0.487 nan 8.150 nan 0.000 0.444 14 E N 0.009 120.242 120.200 0.055 0.000 2.058 14 E HA -0.179 4.171 4.350 0.000 0.000 0.194 14 E C 1.903 178.526 176.600 0.038 0.000 0.997 14 E CA 1.281 57.707 56.400 0.043 0.000 0.801 14 E CB -0.519 29.206 29.700 0.042 0.000 0.746 14 E HN 0.693 nan 8.360 nan 0.000 0.450 15 I N 0.560 121.161 120.570 0.052 0.000 2.194 15 I HA -0.317 3.853 4.170 0.000 0.000 0.246 15 I C 2.449 178.591 176.117 0.041 0.000 1.093 15 I CA 0.950 62.273 61.300 0.038 0.000 1.355 15 I CB -0.290 37.765 38.000 0.092 0.000 1.046 15 I HN 0.079 nan 8.210 nan 0.000 0.413 16 L N -0.167 121.099 121.223 0.071 0.000 2.046 16 L HA -0.215 4.125 4.340 0.000 0.000 0.208 16 L C 2.499 179.390 176.870 0.036 0.000 1.077 16 L CA 1.285 56.164 54.840 0.066 0.000 0.747 16 L CB -0.381 41.725 42.059 0.078 0.000 0.896 16 L HN 0.271 nan 8.230 nan 0.000 0.432 17 L N -0.654 120.587 121.223 0.030 0.000 2.027 17 L HA -0.199 4.141 4.340 0.000 0.000 0.206 17 L C 2.622 179.497 176.870 0.009 0.000 1.074 17 L CA 0.934 55.786 54.840 0.020 0.000 0.745 17 L CB -0.380 41.693 42.059 0.023 0.000 0.898 17 L HN 0.212 nan 8.230 nan 0.000 0.433 18 E N 0.639 120.840 120.200 0.002 0.000 2.085 18 E HA -0.180 4.170 4.350 0.000 0.000 0.194 18 E C 2.068 178.640 176.600 -0.047 0.000 0.994 18 E CA 1.509 57.898 56.400 -0.018 0.000 0.801 18 E CB -0.507 29.176 29.700 -0.027 0.000 0.743 18 E HN 0.353 nan 8.360 nan 0.000 0.453 19 G N 0.928 109.703 108.800 -0.040 0.000 2.491 19 G HA2 -0.277 3.683 3.960 0.000 0.000 0.218 19 G HA3 -0.277 3.683 3.960 0.000 0.000 0.218 19 G C 1.620 176.497 174.900 -0.038 0.000 1.180 19 G CA 1.207 46.280 45.100 -0.044 0.000 0.774 19 G HN 0.335 nan 8.290 nan 0.000 0.562 20 L N -0.332 120.877 121.223 -0.023 0.000 2.046 20 L HA -0.072 4.268 4.340 0.000 0.000 0.208 20 L C 3.190 180.050 176.870 -0.017 0.000 1.077 20 L CA 1.185 56.006 54.840 -0.032 0.000 0.747 20 L CB -0.446 41.601 42.059 -0.019 0.000 0.896 20 L HN 0.178 nan 8.230 nan 0.000 0.432 21 R N 0.121 120.625 120.500 0.006 0.000 2.091 21 R HA -0.123 4.217 4.340 0.000 0.000 0.238 21 R C 2.186 178.529 176.300 0.072 0.000 1.136 21 R CA 1.207 57.332 56.100 0.041 0.000 0.959 21 R CB -0.255 30.078 30.300 0.054 0.000 0.856 21 R HN 0.354 nan 8.270 nan 0.000 0.437 22 R N 0.341 120.856 120.500 0.026 0.000 2.323 22 R HA 0.070 4.410 4.340 0.000 0.000 0.198 22 R C 1.208 177.600 176.300 0.154 0.000 0.988 22 R CA 0.529 56.655 56.100 0.043 0.000 1.041 22 R CB 0.238 30.394 30.300 -0.239 0.000 0.926 22 R HN 0.261 nan 8.270 nan 0.000 0.476 23 L N -1.003 120.232 121.223 0.021 0.000 2.966 23 L HA 0.144 4.484 4.340 0.000 0.000 0.262 23 L C 1.775 178.455 176.870 -0.318 0.000 1.165 23 L CA 0.019 54.734 54.840 -0.208 0.000 0.978 23 L CB 0.260 42.197 42.059 -0.204 0.000 1.337 23 L HN 0.113 nan 8.230 nan 0.000 0.563 24 E N 1.245 121.405 120.200 -0.067 0.000 2.209 24 E HA -0.258 4.092 4.350 0.000 0.000 0.196 24 E C 1.941 178.564 176.600 0.038 0.000 0.993 24 E CA 1.724 58.126 56.400 0.002 0.000 0.819 24 E CB -0.036 29.717 29.700 0.088 0.000 0.745 24 E HN 0.656 nan 8.360 nan 0.000 0.477 25 Y N -0.482 119.845 120.300 0.045 0.000 2.556 25 Y HA -0.100 4.450 4.550 0.000 0.000 0.290 25 Y C 1.487 177.361 175.900 -0.043 0.000 1.149 25 Y CA 0.842 58.954 58.100 0.020 0.000 1.329 25 Y CB -0.204 38.252 38.460 -0.007 0.000 0.975 25 Y HN -0.097 nan 8.280 nan 0.000 0.561 26 R N 0.537 120.658 120.500 -0.633 0.000 2.334 26 R HA 0.434 4.774 4.340 0.000 0.000 0.212 26 R C 0.180 176.296 176.300 -0.307 0.000 0.897 26 R CA 0.439 56.228 56.100 -0.519 0.000 1.056 26 R CB 0.964 30.894 30.300 -0.616 0.000 1.046 26 R HN 0.409 nan 8.270 nan 0.000 0.513 27 G N 0.309 108.967 108.800 -0.238 0.000 2.429 27 G HA2 0.252 4.212 3.960 0.000 0.000 0.300 27 G HA3 0.252 4.212 3.960 0.000 0.000 0.300 27 G C -1.247 173.611 174.900 -0.070 0.000 1.598 27 G CA -0.751 44.245 45.100 -0.174 0.000 0.863 27 G HN 0.206 nan 8.290 nan 0.000 0.614 28 Y N -1.047 119.276 120.300 0.038 0.000 2.979 28 Y HA 0.423 4.973 4.550 0.000 0.000 0.251 28 Y C 0.313 176.235 175.900 0.035 0.000 1.092 28 Y CA -0.950 57.164 58.100 0.022 0.000 1.206 28 Y CB -0.333 38.147 38.460 0.033 0.000 1.254 28 Y HN 0.342 nan 8.280 nan 0.000 0.625 29 D N 1.355 121.817 120.400 0.104 0.000 2.162 29 D HA 0.078 4.718 4.640 0.000 0.000 0.205 29 D C 0.760 177.105 176.300 0.075 0.000 0.964 29 D CA 1.861 55.909 54.000 0.080 0.000 0.847 29 D CB 0.498 41.277 40.800 -0.034 0.000 0.988 29 D HN 0.460 nan 8.370 nan 0.000 0.480 30 S N -1.323 114.410 115.700 0.054 0.000 2.661 30 S HA 0.773 5.243 4.470 0.000 0.000 0.268 30 S C -1.405 173.221 174.600 0.044 0.000 1.162 30 S CA -0.682 57.552 58.200 0.057 0.000 0.817 30 S CB 2.462 65.699 63.200 0.062 0.000 1.141 30 S HN 0.207 nan 8.310 nan 0.000 0.477 31 A N -0.675 122.181 122.820 0.061 0.000 2.605 31 A HA 0.949 5.269 4.320 0.000 0.000 0.294 31 A C -0.323 177.308 177.584 0.078 0.000 1.062 31 A CA -0.270 51.802 52.037 0.060 0.000 0.682 31 A CB 0.924 19.938 19.000 0.024 0.000 1.278 31 A HN 2.213 nan 8.150 nan 0.000 0.410 32 G N -0.428 108.430 108.800 0.096 0.000 2.698 32 G HA2 0.782 4.742 3.960 0.000 0.000 0.293 32 G HA3 0.782 4.742 3.960 0.000 0.000 0.293 32 G C -1.295 173.649 174.900 0.073 0.000 1.437 32 G CA 0.050 45.193 45.100 0.072 0.000 0.852 32 G HN 2.002 nan 8.290 nan 0.000 0.499 33 L N -1.156 120.098 121.223 0.051 0.000 2.466 33 L HA 1.003 5.343 4.340 0.000 0.000 0.258 33 L C -0.605 176.289 176.870 0.040 0.000 0.973 33 L CA -1.222 53.650 54.840 0.053 0.000 0.826 33 L CB 2.292 44.380 42.059 0.049 0.000 1.372 33 L HN 1.061 nan 8.230 nan 0.000 0.409 34 A N 2.705 125.551 122.820 0.044 0.000 2.353 34 A HA 0.792 5.113 4.320 0.000 0.000 0.299 34 A C -0.801 176.811 177.584 0.045 0.000 1.089 34 A CA -0.282 51.778 52.037 0.038 0.000 0.736 34 A CB 1.771 20.790 19.000 0.032 0.000 1.195 34 A HN 1.559 nan 8.150 nan 0.000 0.447 35 V N 1.250 121.191 119.914 0.045 0.000 2.656 35 V HA 0.899 5.019 4.120 0.000 0.000 0.307 35 V C -0.724 175.404 176.094 0.056 0.000 1.051 35 V CA -0.656 61.675 62.300 0.052 0.000 0.893 35 V CB 1.399 33.255 31.823 0.056 0.000 0.999 35 V HN 0.890 nan 8.190 nan 0.000 0.426 36 V N 3.570 123.515 119.914 0.052 0.000 2.628 36 V HA 0.585 4.705 4.120 0.000 0.000 0.306 36 V C 0.136 176.255 176.094 0.042 0.000 1.045 36 V CA -0.430 61.900 62.300 0.049 0.000 0.905 36 V CB 1.277 33.120 31.823 0.032 0.000 0.997 36 V HN 1.137 nan 8.190 nan 0.000 0.436 37 D N 3.504 123.928 120.400 0.040 0.000 2.249 37 D HA 0.420 5.060 4.640 0.000 0.000 0.269 37 D C 1.355 177.645 176.300 -0.016 0.000 1.220 37 D CA 0.141 54.154 54.000 0.020 0.000 1.016 37 D CB 0.429 41.246 40.800 0.028 0.000 1.133 37 D HN 0.562 nan 8.370 nan 0.000 0.533 38 A N -0.662 122.140 122.820 -0.029 0.000 1.898 38 A HA -0.129 4.191 4.320 0.000 0.000 0.214 38 A C 1.948 179.482 177.584 -0.083 0.000 1.183 38 A CA 1.286 53.297 52.037 -0.043 0.000 0.622 38 A CB -1.074 17.907 19.000 -0.032 0.000 0.824 38 A HN 0.670 nan 8.150 nan 0.000 0.444 39 E N -1.081 119.042 120.200 -0.127 0.000 2.209 39 E HA 0.132 4.482 4.350 0.000 0.000 0.196 39 E C 1.176 177.591 176.600 -0.309 0.000 0.993 39 E CA 0.683 56.950 56.400 -0.223 0.000 0.819 39 E CB -0.306 29.220 29.700 -0.292 0.000 0.745 39 E HN 0.849 nan 8.360 nan 0.000 0.477 40 G N 0.765 109.409 108.800 -0.260 0.000 2.159 40 G HA2 -0.208 3.752 3.960 0.000 0.000 0.170 40 G HA3 -0.208 3.752 3.960 0.000 0.000 0.170 40 G C -0.545 174.298 174.900 -0.095 0.000 1.007 40 G CA -0.225 44.768 45.100 -0.178 0.000 0.672 40 G HN 0.462 nan 8.290 nan 0.000 0.507 41 H N 0.495 119.568 119.070 0.005 0.000 2.969 41 H HA 0.481 5.037 4.556 0.000 0.000 0.269 41 H C 0.817 176.157 175.328 0.021 0.000 1.223 41 H CA -0.283 55.772 56.048 0.013 0.000 1.400 41 H CB 0.625 30.397 29.762 0.017 0.000 1.500 41 H HN 0.376 nan 8.280 nan 0.000 0.486 42 M N 3.359 123.038 119.600 0.131 0.000 2.185 42 M HA 0.182 4.662 4.480 0.000 0.000 0.357 42 M C -0.824 175.514 176.300 0.064 0.000 1.260 42 M CA 0.013 55.363 55.300 0.082 0.000 1.124 42 M CB 0.516 33.154 32.600 0.062 0.000 1.600 42 M HN 0.386 nan 8.290 nan 0.000 0.467 43 T N 5.548 120.133 114.554 0.052 0.000 2.815 43 T HA 0.434 4.784 4.350 0.000 0.000 0.289 43 T C -0.610 174.106 174.700 0.027 0.000 1.000 43 T CA -0.705 61.415 62.100 0.033 0.000 0.958 43 T CB 1.061 69.946 68.868 0.028 0.000 0.944 43 T HN 0.757 nan 8.240 nan 0.000 0.442 44 R N 2.889 123.401 120.500 0.020 0.000 2.532 44 R HA 0.755 5.095 4.340 0.000 0.000 0.295 44 R C -1.584 174.724 176.300 0.014 0.000 0.968 44 R CA -0.909 55.200 56.100 0.016 0.000 0.916 44 R CB 0.801 31.106 30.300 0.008 0.000 1.124 44 R HN 0.470 nan 8.270 nan 0.000 0.463 45 L N 3.613 124.846 121.223 0.017 0.000 2.470 45 L HA 0.536 4.876 4.340 0.000 0.000 0.268 45 L C -1.450 175.433 176.870 0.022 0.000 0.964 45 L CA -0.243 54.610 54.840 0.021 0.000 0.839 45 L CB 1.850 43.926 42.059 0.028 0.000 1.276 45 L HN 0.703 nan 8.230 nan 0.000 0.403 46 R N 4.200 124.713 120.500 0.020 0.000 2.725 46 R HA 0.782 5.122 4.340 0.000 0.000 0.277 46 R C -1.199 175.118 176.300 0.029 0.000 0.987 46 R CA -1.174 54.939 56.100 0.021 0.000 0.901 46 R CB 2.360 32.662 30.300 0.002 0.000 1.207 46 R HN 0.387 nan 8.270 nan 0.000 0.463 47 R N 1.868 122.389 120.500 0.035 0.000 2.548 47 R HA 0.262 4.603 4.340 0.000 0.000 0.280 47 R C -1.180 175.145 176.300 0.042 0.000 1.061 47 R CA -1.183 54.939 56.100 0.037 0.000 0.915 47 R CB 1.572 31.894 30.300 0.036 0.000 1.210 47 R HN 0.442 nan 8.270 nan 0.000 0.442 48 L N 2.127 123.374 121.223 0.040 0.000 2.490 48 L HA 0.435 4.775 4.340 0.000 0.000 0.274 48 L C 0.780 177.679 176.870 0.049 0.000 1.201 48 L CA 1.840 56.706 54.840 0.044 0.000 0.869 48 L CB 0.184 42.265 42.059 0.037 0.000 1.123 48 L HN 0.907 nan 8.230 nan 0.000 0.484 49 G N 3.907 112.745 108.800 0.063 0.000 2.447 49 G HA2 -0.092 3.868 3.960 0.000 0.000 0.220 49 G HA3 -0.092 3.868 3.960 0.000 0.000 0.220 49 G C -0.967 173.986 174.900 0.088 0.000 1.261 49 G CA -0.358 44.787 45.100 0.076 0.000 1.000 49 G HN 0.831 nan 8.290 nan 0.000 0.515 50 K N -0.068 120.377 120.400 0.076 0.000 2.180 50 K HA 0.420 4.740 4.320 0.000 0.000 0.251 50 K C 1.760 178.394 176.600 0.056 0.000 1.014 50 K CA -0.003 56.329 56.287 0.075 0.000 0.913 50 K CB 0.817 33.328 32.500 0.020 0.000 1.008 50 K HN 0.496 nan 8.250 nan 0.000 0.490 51 V N 0.999 120.946 119.914 0.055 0.000 2.380 51 V HA -0.260 3.860 4.120 0.000 0.000 0.251 51 V C 2.551 178.663 176.094 0.031 0.000 1.063 51 V CA 1.887 64.209 62.300 0.037 0.000 1.055 51 V CB -0.589 31.253 31.823 0.031 0.000 0.657 51 V HN 0.685 nan 8.190 nan 0.000 0.455 52 Q N -0.721 119.097 119.800 0.029 0.000 2.181 52 Q HA -0.194 4.146 4.340 0.000 0.000 0.205 52 Q C 2.097 178.110 176.000 0.021 0.000 0.980 52 Q CA 1.833 57.651 55.803 0.024 0.000 0.862 52 Q CB -0.335 28.415 28.738 0.021 0.000 0.905 52 Q HN 0.469 nan 8.270 nan 0.000 0.429 53 M N -0.726 118.889 119.600 0.025 0.000 2.086 53 M HA -0.177 4.303 4.480 0.000 0.000 0.261 53 M C 2.103 178.417 176.300 0.023 0.000 1.067 53 M CA 1.243 56.557 55.300 0.024 0.000 1.116 53 M CB -0.960 31.658 32.600 0.030 0.000 1.348 53 M HN 0.316 nan 8.290 nan 0.000 0.407 54 L N -0.107 121.132 121.223 0.027 0.000 2.042 54 L HA -0.215 4.125 4.340 0.000 0.000 0.210 54 L C 2.544 179.425 176.870 0.019 0.000 1.076 54 L CA 1.752 56.607 54.840 0.026 0.000 0.749 54 L CB -0.632 41.444 42.059 0.029 0.000 0.893 54 L HN 0.274 nan 8.230 nan 0.000 0.432 55 A N -0.866 121.965 122.820 0.017 0.000 1.933 55 A HA -0.291 4.029 4.320 0.000 0.000 0.218 55 A C 2.176 179.761 177.584 0.002 0.000 1.175 55 A CA 1.783 53.828 52.037 0.012 0.000 0.628 55 A CB -0.543 18.466 19.000 0.016 0.000 0.814 55 A HN 0.586 nan 8.150 nan 0.000 0.444 56 Q N -0.474 119.327 119.800 0.002 0.000 2.020 56 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 56 Q C 2.191 178.177 176.000 -0.025 0.000 0.982 56 Q CA 1.784 57.581 55.803 -0.010 0.000 0.838 56 Q CB -0.364 28.372 28.738 -0.004 0.000 0.899 56 Q HN 0.578 nan 8.270 nan 0.000 0.423 57 A N 0.503 123.318 122.820 -0.009 0.000 1.972 57 A HA -0.052 4.268 4.320 0.000 0.000 0.219 57 A C 2.193 179.769 177.584 -0.012 0.000 1.169 57 A CA 1.527 53.562 52.037 -0.003 0.000 0.635 57 A CB -0.776 18.242 19.000 0.031 0.000 0.810 57 A HN 0.556 nan 8.150 nan 0.000 0.446 58 A N -0.599 122.216 122.820 -0.008 0.000 2.066 58 A HA -0.072 4.248 4.320 0.000 0.000 0.218 58 A C 1.937 179.494 177.584 -0.046 0.000 1.157 58 A CA 1.424 53.453 52.037 -0.015 0.000 0.670 58 A CB -0.355 18.644 19.000 -0.002 0.000 0.804 58 A HN 0.661 nan 8.150 nan 0.000 0.453 59 E N -0.168 119.998 120.200 -0.057 0.000 2.285 59 E HA -0.134 4.216 4.350 0.000 0.000 0.194 59 E C 1.604 178.132 176.600 -0.119 0.000 0.997 59 E CA 0.873 57.235 56.400 -0.062 0.000 0.845 59 E CB 0.002 29.676 29.700 -0.043 0.000 0.782 59 E HN 0.754 nan 8.360 nan 0.000 0.491 60 E N -0.625 119.447 120.200 -0.213 0.000 2.086 60 E HA -0.036 4.315 4.350 0.000 0.000 0.190 60 E C 0.055 176.253 176.600 -0.671 0.000 0.975 60 E CA 0.555 56.683 56.400 -0.453 0.000 0.813 60 E CB 0.321 29.678 29.700 -0.572 0.000 0.768 60 E HN 0.272 nan 8.360 nan 0.000 0.457 61 H N 0.114 119.166 119.070 -0.030 0.000 2.448 61 H HA 0.284 4.840 4.556 0.000 0.000 0.237 61 H C -2.510 172.753 175.328 -0.108 0.000 1.391 61 H CA -2.403 53.614 56.048 -0.052 0.000 1.477 61 H CB 0.266 30.006 29.762 -0.037 0.000 1.520 61 H HN 0.022 nan 8.280 nan 0.000 0.502 62 P HA -0.036 nan 4.420 nan 0.000 0.264 62 P C -0.004 177.056 177.300 -0.400 0.000 1.193 62 P CA -0.312 62.665 63.100 -0.205 0.000 0.763 62 P CB 0.757 32.349 31.700 -0.179 0.000 0.810 63 L N 5.437 126.531 121.223 -0.215 0.000 2.385 63 L HA 0.138 4.478 4.340 0.000 0.000 0.285 63 L C 0.827 177.647 176.870 -0.083 0.000 1.125 63 L CA 0.243 54.996 54.840 -0.145 0.000 0.890 63 L CB -0.815 41.225 42.059 -0.032 0.000 1.251 63 L HN 0.377 nan 8.230 nan 0.000 0.445 64 H N 2.382 121.483 119.070 0.051 0.000 2.582 64 H HA 0.757 5.313 4.556 0.000 0.000 0.345 64 H C 0.708 176.063 175.328 0.045 0.000 1.104 64 H CA -0.071 56.005 56.048 0.047 0.000 1.390 64 H CB 1.487 31.277 29.762 0.046 0.000 1.461 64 H HN 0.685 nan 8.280 nan 0.000 0.551 65 G N 0.160 109.060 108.800 0.167 0.000 2.348 65 G HA2 0.090 4.050 3.960 0.000 0.000 0.606 65 G HA3 0.090 4.050 3.960 0.000 0.000 0.606 65 G C 0.509 175.452 174.900 0.071 0.000 1.466 65 G CA -0.295 44.863 45.100 0.096 0.000 0.950 65 G HN 0.739 nan 8.290 nan 0.000 0.657 66 G N -0.941 107.886 108.800 0.044 0.000 3.088 66 G HA2 0.448 4.408 3.960 0.000 0.000 0.217 66 G HA3 0.448 4.408 3.960 0.000 0.000 0.217 66 G C 0.508 175.415 174.900 0.011 0.000 1.159 66 G CA 1.295 46.412 45.100 0.027 0.000 0.760 66 G HN 0.960 nan 8.290 nan 0.000 0.550 67 T N -0.014 114.552 114.554 0.020 0.000 2.824 67 T HA 0.675 5.026 4.350 0.000 0.000 0.282 67 T C -0.157 174.564 174.700 0.034 0.000 0.993 67 T CA -0.041 62.067 62.100 0.014 0.000 0.967 67 T CB 2.064 70.939 68.868 0.010 0.000 0.960 67 T HN 0.428 nan 8.240 nan 0.000 0.441 68 G N 1.876 110.699 108.800 0.038 0.000 2.556 68 G HA2 0.602 4.562 3.960 0.000 0.000 0.294 68 G HA3 0.602 4.562 3.960 0.000 0.000 0.294 68 G C -1.665 173.276 174.900 0.067 0.000 1.516 68 G CA -0.849 44.284 45.100 0.055 0.000 0.824 68 G HN 0.966 nan 8.290 nan 0.000 0.535 69 I N -1.552 119.062 120.570 0.072 0.000 2.828 69 I HA 0.978 5.148 4.170 0.000 0.000 0.302 69 I C -0.186 175.987 176.117 0.093 0.000 1.101 69 I CA -1.374 59.979 61.300 0.087 0.000 1.031 69 I CB 2.317 40.367 38.000 0.084 0.000 1.231 69 I HN 1.046 nan 8.210 nan 0.000 0.427 70 A N 3.123 126.010 122.820 0.112 0.000 2.566 70 A HA 0.869 5.189 4.320 0.000 0.000 0.292 70 A C -1.508 176.177 177.584 0.168 0.000 1.112 70 A CA -0.436 51.669 52.037 0.112 0.000 0.707 70 A CB 1.726 20.773 19.000 0.079 0.000 1.302 70 A HN 1.036 nan 8.150 nan 0.000 0.409 71 H N -0.147 118.924 119.070 0.002 0.000 3.094 71 H HA 0.594 5.150 4.556 0.000 0.000 0.335 71 H C -2.121 173.165 175.328 -0.070 0.000 1.254 71 H CA 0.414 56.437 56.048 -0.042 0.000 1.240 71 H CB 1.975 31.709 29.762 -0.047 0.000 1.936 71 H HN 0.847 nan 8.280 nan 0.000 0.536 72 T N 3.186 117.307 114.554 -0.723 0.000 2.916 72 T HA 0.461 4.811 4.350 0.000 0.000 0.298 72 T C -1.050 173.195 174.700 -0.758 0.000 1.031 72 T CA -0.762 61.047 62.100 -0.486 0.000 0.993 72 T CB 1.207 69.935 68.868 -0.233 0.000 1.045 72 T HN 0.684 nan 8.240 nan 0.000 0.454 73 R N 3.020 123.303 120.500 -0.362 0.000 2.589 73 R HA 0.577 4.917 4.340 0.000 0.000 0.293 73 R C -1.786 174.483 176.300 -0.052 0.000 0.963 73 R CA -0.853 55.132 56.100 -0.192 0.000 0.905 73 R CB 1.133 31.464 30.300 0.052 0.000 1.144 73 R HN 0.655 nan 8.270 nan 0.000 0.459 74 W N 4.544 125.727 121.300 -0.194 0.000 2.336 74 W HA 0.528 5.188 4.660 0.000 0.000 0.315 74 W C -1.003 175.462 176.519 -0.090 0.000 1.016 74 W CA -0.627 56.608 57.345 -0.183 0.000 1.318 74 W CB 1.282 30.615 29.460 -0.211 0.000 1.247 74 W HN 0.768 nan 8.180 nan 0.000 0.414 75 A N 4.018 126.481 122.820 -0.595 0.000 2.492 75 A HA 0.353 4.673 4.320 0.000 0.000 0.254 75 A C 1.047 178.205 177.584 -0.709 0.000 1.091 75 A CA 0.900 52.657 52.037 -0.466 0.000 0.768 75 A CB 0.298 19.081 19.000 -0.362 0.000 1.028 75 A HN 0.868 nan 8.150 nan 0.000 0.498 76 T N -0.395 113.938 114.554 -0.368 0.000 3.019 76 T HA 0.207 4.557 4.350 0.000 0.000 0.247 76 T C 0.243 174.683 174.700 -0.434 0.000 0.992 76 T CA 0.538 62.408 62.100 -0.383 0.000 1.036 76 T CB -0.135 68.676 68.868 -0.095 0.000 1.063 76 T HN 0.634 nan 8.240 nan 0.000 0.476 77 H N 1.119 120.102 119.070 -0.146 0.000 2.792 77 H HA 0.653 5.209 4.556 0.000 0.000 0.298 77 H C 0.434 175.706 175.328 -0.093 0.000 1.042 77 H CA 0.050 56.018 56.048 -0.134 0.000 1.300 77 H CB 0.876 30.514 29.762 -0.207 0.000 1.431 77 H HN 0.789 nan 8.280 nan 0.000 0.496 78 G N 2.470 111.243 108.800 -0.046 0.000 2.895 78 G HA2 -0.153 3.807 3.960 0.000 0.000 0.686 78 G HA3 -0.153 3.807 3.960 0.000 0.000 0.686 78 G C -0.149 174.720 174.900 -0.052 0.000 1.108 78 G CA -0.618 44.467 45.100 -0.025 0.000 0.761 78 G HN 0.802 nan 8.290 nan 0.000 0.611 79 E N 1.875 122.045 120.200 -0.051 0.000 2.436 79 E HA 0.310 4.660 4.350 0.000 0.000 0.262 79 E C -2.217 174.358 176.600 -0.041 0.000 1.063 79 E CA -1.067 55.295 56.400 -0.063 0.000 0.944 79 E CB 0.288 29.961 29.700 -0.044 0.000 0.950 79 E HN 0.250 nan 8.360 nan 0.000 0.444 80 P HA -0.047 nan 4.420 nan 0.000 0.258 80 P C -1.049 176.255 177.300 0.007 0.000 1.187 80 P CA 0.659 63.746 63.100 -0.023 0.000 0.767 80 P CB 0.433 32.115 31.700 -0.029 0.000 0.770 81 S N 0.754 116.471 115.700 0.029 0.000 2.567 81 S HA 0.234 4.704 4.470 0.000 0.000 0.270 81 S C 0.904 175.533 174.600 0.047 0.000 1.152 81 S CA -0.829 57.392 58.200 0.035 0.000 0.835 81 S CB 1.371 64.591 63.200 0.033 0.000 1.115 81 S HN 0.348 nan 8.310 nan 0.000 0.459 82 E N 0.469 120.693 120.200 0.040 0.000 2.097 82 E HA -0.155 4.195 4.350 0.000 0.000 0.196 82 E C 1.637 178.262 176.600 0.041 0.000 1.000 82 E CA 2.019 58.441 56.400 0.037 0.000 0.804 82 E CB -0.279 29.440 29.700 0.031 0.000 0.740 82 E HN 0.527 nan 8.360 nan 0.000 0.454 83 V N 1.660 121.607 119.914 0.054 0.000 2.332 83 V HA -0.262 3.858 4.120 0.000 0.000 0.248 83 V C 1.860 178.037 176.094 0.138 0.000 1.055 83 V CA 1.953 64.300 62.300 0.079 0.000 1.038 83 V CB -0.483 31.385 31.823 0.074 0.000 0.651 83 V HN 0.328 nan 8.190 nan 0.000 0.450 84 N N -0.133 118.648 118.700 0.135 0.000 2.446 84 N HA 0.130 4.870 4.740 0.000 0.000 0.179 84 N C 0.742 176.393 175.510 0.235 0.000 1.054 84 N CA 0.688 53.865 53.050 0.212 0.000 0.905 84 N CB -0.215 38.354 38.487 0.136 0.000 0.973 84 N HN 0.479 nan 8.380 nan 0.000 0.448 85 A N 0.995 123.868 122.820 0.089 0.000 2.498 85 A HA 0.056 4.376 4.320 0.000 0.000 0.239 85 A C 0.036 177.485 177.584 -0.224 0.000 1.068 85 A CA 0.017 52.081 52.037 0.045 0.000 0.766 85 A CB -0.194 18.825 19.000 0.033 0.000 1.003 85 A HN 0.352 nan 8.150 nan 0.000 0.497 86 H N 1.625 120.444 119.070 -0.418 0.000 2.508 86 H HA 0.263 4.819 4.556 0.000 0.000 0.358 86 H C -2.258 172.924 175.328 -0.244 0.000 1.212 86 H CA -2.028 53.697 56.048 -0.538 0.000 1.356 86 H CB 0.242 29.559 29.762 -0.742 0.000 1.525 86 H HN 0.433 nan 8.280 nan 0.000 0.578 87 P HA -0.028 nan 4.420 nan 0.000 0.269 87 P C -0.423 176.705 177.300 -0.287 0.000 1.209 87 P CA 0.445 63.490 63.100 -0.092 0.000 0.776 87 P CB 0.578 32.264 31.700 -0.024 0.000 0.876 88 H N 0.034 119.011 119.070 -0.156 0.000 2.479 88 H HA 0.427 4.983 4.556 0.000 0.000 0.335 88 H C 0.001 175.226 175.328 -0.172 0.000 1.142 88 H CA -0.515 55.416 56.048 -0.196 0.000 1.234 88 H CB 1.442 31.016 29.762 -0.312 0.000 1.503 88 H HN 0.161 nan 8.280 nan 0.000 0.510 89 V N -0.243 119.661 119.914 -0.015 0.000 2.919 89 V HA 0.656 4.776 4.120 0.000 0.000 0.316 89 V C 0.100 176.117 176.094 -0.129 0.000 1.077 89 V CA -0.768 61.495 62.300 -0.063 0.000 0.977 89 V CB 2.129 33.940 31.823 -0.019 0.000 1.039 89 V HN 0.668 nan 8.190 nan 0.000 0.441 90 S N 1.281 116.921 115.700 -0.100 0.000 2.413 90 S HA 0.392 4.863 4.470 0.000 0.000 0.170 90 S C 0.078 174.622 174.600 -0.094 0.000 1.294 90 S CA 0.161 58.346 58.200 -0.025 0.000 1.201 90 S CB -0.463 62.722 63.200 -0.025 0.000 1.328 90 S HN 1.171 nan 8.310 nan 0.000 0.418 91 E N 1.905 122.088 120.200 -0.030 0.000 3.296 91 E HA -0.360 3.990 4.350 0.000 0.000 0.422 91 E C 0.575 177.161 176.600 -0.023 0.000 1.557 91 E CA 2.077 58.465 56.400 -0.021 0.000 1.302 91 E CB -1.223 28.483 29.700 0.009 0.000 1.497 91 E HN 0.906 nan 8.360 nan 0.000 0.467 92 H N 1.156 120.249 119.070 0.038 0.000 2.495 92 H HA 0.117 4.673 4.556 0.000 0.000 0.287 92 H C 1.101 176.445 175.328 0.027 0.000 1.033 92 H CA 0.609 56.673 56.048 0.027 0.000 1.307 92 H CB -0.045 29.729 29.762 0.021 0.000 1.401 92 H HN 0.124 nan 8.280 nan 0.000 0.555 93 I N 2.689 123.134 120.570 -0.208 0.000 2.575 93 I HA 0.096 4.266 4.170 0.000 0.000 0.285 93 I C 0.037 176.119 176.117 -0.059 0.000 1.085 93 I CA -0.507 60.735 61.300 -0.096 0.000 1.403 93 I CB 1.572 39.484 38.000 -0.148 0.000 1.409 93 I HN -0.065 nan 8.210 nan 0.000 0.557 94 V N 6.942 126.841 119.914 -0.024 0.000 2.567 94 V HA 0.429 4.549 4.120 0.000 0.000 0.298 94 V C -0.247 175.840 176.094 -0.012 0.000 1.047 94 V CA -0.608 61.682 62.300 -0.017 0.000 0.880 94 V CB 2.284 34.114 31.823 0.011 0.000 1.009 94 V HN 0.443 nan 8.190 nan 0.000 0.429 95 V N 5.047 124.945 119.914 -0.027 0.000 2.735 95 V HA 0.745 4.865 4.120 0.000 0.000 0.310 95 V C -0.419 175.686 176.094 0.017 0.000 1.061 95 V CA -0.706 61.585 62.300 -0.014 0.000 0.913 95 V CB 2.437 34.218 31.823 -0.070 0.000 1.005 95 V HN 0.795 nan 8.190 nan 0.000 0.428 96 V N 1.109 121.084 119.914 0.101 0.000 2.604 96 V HA 0.729 4.849 4.120 0.000 0.000 0.305 96 V C -0.754 175.544 176.094 0.340 0.000 1.043 96 V CA -0.387 62.043 62.300 0.216 0.000 0.888 96 V CB 1.738 33.691 31.823 0.215 0.000 0.995 96 V HN 1.072 nan 8.190 nan 0.000 0.429 97 H N 3.703 122.988 119.070 0.359 0.000 2.954 97 H HA 0.451 5.007 4.556 0.000 0.000 0.361 97 H C -1.689 173.838 175.328 0.332 0.000 1.122 97 H CA -0.517 55.706 56.048 0.292 0.000 1.217 97 H CB 2.359 32.242 29.762 0.201 0.000 1.776 97 H HN 0.954 nan 8.280 nan 0.000 0.533 98 N N 3.903 122.605 118.700 0.003 0.000 2.518 98 N HA 0.481 5.221 4.740 0.000 0.000 0.254 98 N C -0.732 174.634 175.510 -0.240 0.000 0.979 98 N CA 0.069 53.047 53.050 -0.121 0.000 0.930 98 N CB 1.272 39.771 38.487 0.021 0.000 1.152 98 N HN 0.928 nan 8.380 nan 0.000 0.505 99 G N 2.169 110.696 108.800 -0.455 0.000 2.352 99 G HA2 0.191 4.151 3.960 0.000 0.000 0.283 99 G HA3 0.191 4.151 3.960 0.000 0.000 0.283 99 G C -1.876 173.021 174.900 -0.004 0.000 1.308 99 G CA -0.783 44.256 45.100 -0.100 0.000 0.892 99 G HN 0.403 nan 8.290 nan 0.000 0.504 100 I N 0.711 121.419 120.570 0.230 0.000 2.534 100 I HA 0.364 4.534 4.170 0.000 0.000 0.288 100 I C -0.457 175.783 176.117 0.205 0.000 1.077 100 I CA -0.886 60.532 61.300 0.197 0.000 1.051 100 I CB 2.110 40.211 38.000 0.170 0.000 1.234 100 I HN 0.281 nan 8.210 nan 0.000 0.425 101 I N 6.037 126.665 120.570 0.098 0.000 2.278 101 I HA 0.153 4.323 4.170 0.000 0.000 0.296 101 I C 1.237 177.403 176.117 0.082 0.000 1.121 101 I CA 0.214 61.555 61.300 0.069 0.000 1.267 101 I CB 0.326 38.308 38.000 -0.029 0.000 1.447 101 I HN 0.755 nan 8.210 nan 0.000 0.509 102 E N 4.004 124.274 120.200 0.116 0.000 2.110 102 E HA -0.193 4.157 4.350 0.000 0.000 0.193 102 E C 0.983 177.653 176.600 0.116 0.000 0.988 102 E CA 1.142 57.621 56.400 0.132 0.000 0.804 102 E CB 0.088 29.845 29.700 0.096 0.000 0.745 102 E HN 0.661 nan 8.360 nan 0.000 0.458 103 N N 1.123 119.856 118.700 0.056 0.000 2.346 103 N HA -0.087 4.653 4.740 0.000 0.000 0.225 103 N C 1.184 176.651 175.510 -0.071 0.000 1.144 103 N CA 0.200 53.232 53.050 -0.029 0.000 0.837 103 N CB -0.459 38.014 38.487 -0.023 0.000 1.069 103 N HN 0.385 nan 8.380 nan 0.000 0.487 104 H N 0.256 119.274 119.070 -0.086 0.000 2.353 104 H HA -0.095 4.461 4.556 0.000 0.000 0.298 104 H C 0.768 176.020 175.328 -0.126 0.000 1.103 104 H CA 1.410 57.391 56.048 -0.112 0.000 1.293 104 H CB -0.208 29.463 29.762 -0.151 0.000 1.372 104 H HN 0.336 nan 8.280 nan 0.000 0.501 105 E N 1.193 120.980 120.200 -0.688 0.000 2.031 105 E HA -0.095 4.255 4.350 0.000 0.000 0.193 105 E C -0.252 176.191 176.600 -0.262 0.000 0.994 105 E CA 1.242 57.372 56.400 -0.451 0.000 0.800 105 E CB -0.593 28.845 29.700 -0.437 0.000 0.752 105 E HN 0.517 nan 8.360 nan 0.000 0.447 106 P HA -0.160 nan 4.420 nan 0.000 0.215 106 P C 1.440 178.663 177.300 -0.128 0.000 1.157 106 P CA 1.082 64.096 63.100 -0.143 0.000 0.863 106 P CB -0.031 31.601 31.700 -0.113 0.000 0.787 107 L N -0.809 120.346 121.223 -0.114 0.000 2.013 107 L HA -0.217 4.123 4.340 0.000 0.000 0.212 107 L C 2.869 179.698 176.870 -0.069 0.000 1.073 107 L CA 1.730 56.522 54.840 -0.080 0.000 0.753 107 L CB -0.644 41.386 42.059 -0.048 0.000 0.890 107 L HN -0.102 nan 8.230 nan 0.000 0.432 108 R N -0.097 120.315 120.500 -0.147 0.000 2.083 108 R HA -0.193 4.147 4.340 0.000 0.000 0.237 108 R C 2.235 178.363 176.300 -0.286 0.000 1.137 108 R CA 1.544 57.419 56.100 -0.375 0.000 0.951 108 R CB -0.083 29.826 30.300 -0.652 0.000 0.851 108 R HN 0.287 nan 8.270 nan 0.000 0.434 109 E N 0.887 120.958 120.200 -0.214 0.000 2.058 109 E HA -0.213 4.137 4.350 0.000 0.000 0.194 109 E C 1.895 178.440 176.600 -0.091 0.000 0.997 109 E CA 1.693 58.005 56.400 -0.146 0.000 0.801 109 E CB -0.189 29.433 29.700 -0.130 0.000 0.746 109 E HN 0.577 nan 8.360 nan 0.000 0.450 110 E N 0.617 120.759 120.200 -0.097 0.000 2.051 110 E HA -0.130 4.220 4.350 0.000 0.000 0.192 110 E C 2.439 178.971 176.600 -0.113 0.000 0.991 110 E CA 0.803 57.133 56.400 -0.118 0.000 0.799 110 E CB -0.271 29.340 29.700 -0.148 0.000 0.748 110 E HN 0.198 nan 8.360 nan 0.000 0.449 111 L N 1.114 122.315 121.223 -0.037 0.000 2.046 111 L HA -0.193 4.147 4.340 0.000 0.000 0.208 111 L C 2.487 179.511 176.870 0.258 0.000 1.077 111 L CA 1.254 56.143 54.840 0.081 0.000 0.747 111 L CB -0.437 41.715 42.059 0.154 0.000 0.896 111 L HN 0.039 nan 8.230 nan 0.000 0.432 112 K N 0.250 120.813 120.400 0.272 0.000 2.103 112 K HA -0.159 4.161 4.320 0.000 0.000 0.207 112 K C 2.129 178.765 176.600 0.061 0.000 1.048 112 K CA 1.408 57.809 56.287 0.191 0.000 0.930 112 K CB -0.243 32.301 32.500 0.073 0.000 0.716 112 K HN 0.313 nan 8.250 nan 0.000 0.444 113 A N 0.990 123.812 122.820 0.003 0.000 2.172 113 A HA -0.092 4.228 4.320 0.000 0.000 0.216 113 A C 1.558 179.110 177.584 -0.052 0.000 1.154 113 A CA 0.950 52.965 52.037 -0.037 0.000 0.701 113 A CB -0.120 18.842 19.000 -0.064 0.000 0.789 113 A HN 0.211 nan 8.150 nan 0.000 0.465 114 R N -1.782 118.688 120.500 -0.050 0.000 2.432 114 R HA 0.299 4.639 4.340 0.000 0.000 0.260 114 R C 1.079 177.328 176.300 -0.085 0.000 0.935 114 R CA 0.526 56.583 56.100 -0.072 0.000 1.080 114 R CB 0.355 30.533 30.300 -0.203 0.000 1.155 114 R HN 0.566 nan 8.270 nan 0.000 0.531 115 G N 0.053 108.798 108.800 -0.091 0.000 2.195 115 G HA2 -0.280 3.680 3.960 0.000 0.000 0.224 115 G HA3 -0.280 3.680 3.960 0.000 0.000 0.224 115 G C -0.226 174.504 174.900 -0.283 0.000 0.990 115 G CA -0.574 44.419 45.100 -0.178 0.000 0.639 115 G HN 0.221 nan 8.290 nan 0.000 0.514 116 Y N 1.987 122.195 120.300 -0.153 0.000 2.511 116 Y HA 0.450 5.000 4.550 0.000 0.000 0.332 116 Y C 1.181 176.928 175.900 -0.255 0.000 1.177 116 Y CA 0.995 58.868 58.100 -0.378 0.000 1.422 116 Y CB 0.886 38.947 38.460 -0.664 0.000 1.271 116 Y HN 0.031 nan 8.280 nan 0.000 0.550 117 T N 5.277 119.720 114.554 -0.186 0.000 2.770 117 T HA 0.413 4.763 4.350 0.000 0.000 0.283 117 T C -0.872 173.833 174.700 0.007 0.000 0.988 117 T CA -0.619 61.480 62.100 -0.003 0.000 0.957 117 T CB 0.019 68.884 68.868 -0.004 0.000 0.930 117 T HN 0.164 nan 8.240 nan 0.000 0.443 118 F N 2.493 122.484 119.950 0.069 0.000 2.410 118 F HA 0.333 4.860 4.527 0.000 0.000 0.349 118 F C 1.357 177.210 175.800 0.088 0.000 1.117 118 F CA -1.084 57.006 58.000 0.149 0.000 1.104 118 F CB 1.230 40.286 39.000 0.093 0.000 1.122 118 F HN 0.408 nan 8.300 nan 0.000 0.483 119 V N -0.498 119.544 119.914 0.212 0.000 3.590 119 V HA 0.206 4.326 4.120 0.000 0.000 0.265 119 V C 0.526 176.692 176.094 0.120 0.000 1.239 119 V CA 0.758 63.141 62.300 0.138 0.000 1.117 119 V CB -0.381 31.507 31.823 0.108 0.000 0.818 119 V HN 0.616 nan 8.190 nan 0.000 0.451 120 S N -0.003 115.766 115.700 0.116 0.000 2.745 120 S HA 0.547 5.017 4.470 0.000 0.000 0.306 120 S C 0.106 174.745 174.600 0.065 0.000 1.137 120 S CA -0.217 58.032 58.200 0.081 0.000 0.900 120 S CB 1.939 65.179 63.200 0.066 0.000 1.176 120 S HN 0.343 nan 8.310 nan 0.000 0.520 121 E N 0.538 120.763 120.200 0.041 0.000 2.498 121 E HA 0.152 4.502 4.350 0.000 0.000 0.203 121 E C 0.149 176.757 176.600 0.012 0.000 1.013 121 E CA 0.032 56.449 56.400 0.029 0.000 0.927 121 E CB 0.638 30.355 29.700 0.027 0.000 1.012 121 E HN 0.784 nan 8.360 nan 0.000 0.482 122 T N -0.049 114.490 114.554 -0.025 0.000 2.899 122 T HA -0.020 4.330 4.350 0.000 0.000 0.295 122 T C 1.101 175.713 174.700 -0.145 0.000 1.033 122 T CA -0.499 61.569 62.100 -0.053 0.000 1.084 122 T CB 1.246 70.076 68.868 -0.063 0.000 0.979 122 T HN 0.004 nan 8.240 nan 0.000 0.532 123 D N 2.067 122.314 120.400 -0.256 0.000 2.178 123 D HA -0.138 4.502 4.640 0.000 0.000 0.201 123 D C 1.667 177.857 176.300 -0.183 0.000 0.980 123 D CA 1.243 55.030 54.000 -0.356 0.000 0.842 123 D CB -1.174 39.225 40.800 -0.668 0.000 0.948 123 D HN 0.606 nan 8.370 nan 0.000 0.472 124 T N 0.907 115.373 114.554 -0.145 0.000 2.737 124 T HA -0.213 4.137 4.350 0.000 0.000 0.269 124 T C 1.701 176.203 174.700 -0.331 0.000 1.040 124 T CA 1.671 63.654 62.100 -0.195 0.000 1.142 124 T CB -0.331 68.402 68.868 -0.224 0.000 0.861 124 T HN 0.379 nan 8.240 nan 0.000 0.456 125 E N 0.569 120.510 120.200 -0.432 0.000 2.130 125 E HA -0.174 4.176 4.350 0.000 0.000 0.196 125 E C 2.271 178.701 176.600 -0.283 0.000 0.998 125 E CA 1.531 57.658 56.400 -0.455 0.000 0.806 125 E CB -0.175 29.319 29.700 -0.344 0.000 0.738 125 E HN 0.522 nan 8.360 nan 0.000 0.459 126 V N -1.100 118.803 119.914 -0.019 0.000 2.594 126 V HA -0.221 3.899 4.120 0.000 0.000 0.253 126 V C 2.060 178.071 176.094 -0.137 0.000 1.069 126 V CA 1.556 63.893 62.300 0.062 0.000 1.082 126 V CB -0.590 31.297 31.823 0.108 0.000 0.680 126 V HN 0.221 nan 8.190 nan 0.000 0.469 127 I N 1.272 121.709 120.570 -0.221 0.000 2.252 127 I HA -0.070 4.100 4.170 0.000 0.000 0.245 127 I C 2.943 178.921 176.117 -0.231 0.000 1.102 127 I CA 1.555 62.709 61.300 -0.243 0.000 1.385 127 I CB -0.700 37.118 38.000 -0.303 0.000 1.064 127 I HN 0.343 nan 8.210 nan 0.000 0.414 128 A N 0.357 123.003 122.820 -0.289 0.000 1.858 128 A HA -0.238 4.082 4.320 0.000 0.000 0.216 128 A C 2.219 179.620 177.584 -0.304 0.000 1.190 128 A CA 1.676 53.535 52.037 -0.297 0.000 0.617 128 A CB -0.931 17.845 19.000 -0.374 0.000 0.827 128 A HN 0.408 nan 8.150 nan 0.000 0.443 129 H N -1.161 117.689 119.070 -0.367 0.000 2.421 129 H HA -0.073 4.483 4.556 0.000 0.000 0.298 129 H C 1.940 176.931 175.328 -0.563 0.000 1.087 129 H CA 1.665 57.337 56.048 -0.627 0.000 1.330 129 H CB -0.375 28.834 29.762 -0.922 0.000 1.388 129 H HN 0.432 nan 8.280 nan 0.000 0.526 130 L N 0.148 121.248 121.223 -0.206 0.000 2.270 130 L HA -0.006 4.334 4.340 0.000 0.000 0.210 130 L C 2.158 179.017 176.870 -0.017 0.000 1.104 130 L CA 0.708 55.492 54.840 -0.095 0.000 0.804 130 L CB -0.232 41.777 42.059 -0.082 0.000 0.937 130 L HN -0.079 nan 8.230 nan 0.000 0.450 131 V N 0.390 120.262 119.914 -0.070 0.000 2.453 131 V HA -0.224 3.896 4.120 0.000 0.000 0.247 131 V C 2.494 178.585 176.094 -0.006 0.000 1.048 131 V CA 1.753 64.028 62.300 -0.041 0.000 1.049 131 V CB -0.897 30.887 31.823 -0.064 0.000 0.672 131 V HN 0.620 nan 8.190 nan 0.000 0.457 132 N N -0.353 118.333 118.700 -0.024 0.000 2.166 132 N HA -0.244 4.496 4.740 0.000 0.000 0.186 132 N C 1.913 177.515 175.510 0.155 0.000 1.019 132 N CA 1.912 54.982 53.050 0.035 0.000 0.856 132 N CB -0.220 38.286 38.487 0.033 0.000 0.993 132 N HN 0.749 nan 8.380 nan 0.000 0.426 133 W N 1.729 123.020 121.300 -0.016 0.000 2.409 133 W HA -0.045 4.615 4.660 0.000 0.000 0.299 133 W C 1.403 177.949 176.519 0.044 0.000 1.203 133 W CA 0.826 58.217 57.345 0.075 0.000 1.298 133 W CB -0.081 29.384 29.460 0.007 0.000 1.127 133 W HN 0.025 nan 8.180 nan 0.000 0.528 134 E N 1.119 121.313 120.200 -0.010 0.000 2.077 134 E HA -0.206 4.144 4.350 0.000 0.000 0.193 134 E C 2.333 178.843 176.600 -0.150 0.000 0.989 134 E CA 1.118 57.460 56.400 -0.097 0.000 0.800 134 E CB -0.970 28.742 29.700 0.020 0.000 0.746 134 E HN 0.379 nan 8.360 nan 0.000 0.452 135 L N 0.647 121.826 121.223 -0.074 0.000 2.131 135 L HA -0.196 4.145 4.340 0.000 0.000 0.210 135 L C 2.307 179.125 176.870 -0.086 0.000 1.092 135 L CA 1.194 56.010 54.840 -0.040 0.000 0.759 135 L CB -0.084 42.013 42.059 0.063 0.000 0.903 135 L HN 0.083 nan 8.230 nan 0.000 0.435 136 K N -0.926 119.381 120.400 -0.155 0.000 2.211 136 K HA -0.180 4.140 4.320 0.000 0.000 0.203 136 K C 2.094 178.529 176.600 -0.276 0.000 1.050 136 K CA 0.884 57.049 56.287 -0.204 0.000 0.945 136 K CB 0.123 32.472 32.500 -0.251 0.000 0.732 136 K HN 0.273 nan 8.250 nan 0.000 0.451 137 Q N -0.496 119.090 119.800 -0.356 0.000 2.124 137 Q HA 0.011 4.351 4.340 0.000 0.000 0.202 137 Q C 0.940 176.845 176.000 -0.159 0.000 0.977 137 Q CA 1.298 56.934 55.803 -0.279 0.000 0.850 137 Q CB 0.100 28.679 28.738 -0.264 0.000 0.901 137 Q HN 0.375 nan 8.270 nan 0.000 0.429 138 G N -2.299 106.423 108.800 -0.130 0.000 2.326 138 G HA2 0.408 4.368 3.960 0.000 0.000 0.413 138 G HA3 0.408 4.368 3.960 0.000 0.000 0.413 138 G C -0.125 174.729 174.900 -0.076 0.000 1.444 138 G CA -0.320 44.726 45.100 -0.089 0.000 1.002 138 G HN 0.617 nan 8.290 nan 0.000 0.649 139 G N -1.169 107.591 108.800 -0.067 0.000 2.584 139 G HA2 0.430 4.390 3.960 0.000 0.000 0.229 139 G HA3 0.430 4.390 3.960 0.000 0.000 0.229 139 G C 0.481 175.336 174.900 -0.075 0.000 1.320 139 G CA 0.668 45.727 45.100 -0.069 0.000 0.891 139 G HN 2.657 nan 8.290 nan 0.000 0.573 140 T N -1.261 113.241 114.554 -0.086 0.000 2.902 140 T HA 0.548 4.898 4.350 0.000 0.000 0.280 140 T C 1.644 176.296 174.700 -0.080 0.000 0.992 140 T CA 0.264 62.305 62.100 -0.098 0.000 1.015 140 T CB 1.628 70.430 68.868 -0.111 0.000 1.044 140 T HN 1.539 nan 8.240 nan 0.000 0.520 141 L N 0.615 121.797 121.223 -0.068 0.000 2.051 141 L HA -0.100 4.240 4.340 0.000 0.000 0.214 141 L C 2.812 179.648 176.870 -0.056 0.000 1.076 141 L CA 1.933 56.751 54.840 -0.037 0.000 0.758 141 L CB -0.996 41.056 42.059 -0.011 0.000 0.890 141 L HN 0.877 nan 8.230 nan 0.000 0.433 142 R N -0.525 119.924 120.500 -0.086 0.000 2.091 142 R HA -0.180 4.160 4.340 0.000 0.000 0.238 142 R C 2.098 178.306 176.300 -0.153 0.000 1.136 142 R CA 1.935 57.957 56.100 -0.131 0.000 0.959 142 R CB -0.222 29.960 30.300 -0.196 0.000 0.856 142 R HN 0.565 nan 8.270 nan 0.000 0.437 143 E N -0.258 119.861 120.200 -0.135 0.000 2.112 143 E HA -0.090 4.260 4.350 0.000 0.000 0.190 143 E C 1.975 178.527 176.600 -0.081 0.000 0.979 143 E CA 0.814 57.144 56.400 -0.117 0.000 0.814 143 E CB -0.025 29.612 29.700 -0.104 0.000 0.762 143 E HN 0.486 nan 8.360 nan 0.000 0.460 144 A N 1.191 123.970 122.820 -0.067 0.000 1.858 144 A HA -0.151 4.170 4.320 0.000 0.000 0.216 144 A C 2.531 180.090 177.584 -0.042 0.000 1.190 144 A CA 1.207 53.215 52.037 -0.047 0.000 0.617 144 A CB -0.847 18.132 19.000 -0.035 0.000 0.827 144 A HN 0.101 nan 8.150 nan 0.000 0.443 145 V N 0.146 120.032 119.914 -0.048 0.000 2.252 145 V HA -0.313 3.807 4.120 0.000 0.000 0.249 145 V C 2.548 178.613 176.094 -0.049 0.000 1.056 145 V CA 2.221 64.492 62.300 -0.049 0.000 1.022 145 V CB -0.880 30.920 31.823 -0.038 0.000 0.641 145 V HN 0.573 nan 8.190 nan 0.000 0.445 146 L N -0.820 120.368 121.223 -0.058 0.000 2.349 146 L HA -0.175 4.165 4.340 0.000 0.000 0.220 146 L C 2.614 179.467 176.870 -0.029 0.000 1.130 146 L CA 1.504 56.315 54.840 -0.048 0.000 0.791 146 L CB -0.439 41.569 42.059 -0.086 0.000 0.918 146 L HN 0.255 nan 8.230 nan 0.000 0.444 147 R N -1.302 119.182 120.500 -0.028 0.000 2.189 147 R HA 0.118 4.458 4.340 0.000 0.000 0.203 147 R C 2.305 178.603 176.300 -0.004 0.000 1.012 147 R CA 0.762 56.858 56.100 -0.008 0.000 1.015 147 R CB -0.047 30.254 30.300 0.001 0.000 0.938 147 R HN 0.296 nan 8.270 nan 0.000 0.472 148 A N 1.626 124.431 122.820 -0.024 0.000 1.855 148 A HA -0.064 4.256 4.320 0.000 0.000 0.213 148 A C 1.937 179.463 177.584 -0.097 0.000 1.195 148 A CA 0.711 52.719 52.037 -0.048 0.000 0.610 148 A CB -0.212 18.748 19.000 -0.065 0.000 0.837 148 A HN 0.008 nan 8.150 nan 0.000 0.444 149 I N 0.725 121.226 120.570 -0.116 0.000 2.091 149 I HA -0.226 3.944 4.170 0.000 0.000 0.240 149 I C -0.451 175.627 176.117 -0.064 0.000 1.046 149 I CA 1.839 63.046 61.300 -0.155 0.000 1.306 149 I CB -2.753 35.217 38.000 -0.051 0.000 1.018 149 I HN 0.173 nan 8.210 nan 0.000 0.404 150 P HA -0.192 nan 4.420 nan 0.000 0.218 150 P C 1.630 178.935 177.300 0.010 0.000 1.146 150 P CA 1.558 64.672 63.100 0.023 0.000 0.820 150 P CB -0.172 31.542 31.700 0.022 0.000 0.778 151 Q N -1.493 118.294 119.800 -0.021 0.000 2.398 151 Q HA 0.097 4.437 4.340 0.000 0.000 0.204 151 Q C 0.527 176.506 176.000 -0.035 0.000 0.932 151 Q CA 0.072 55.861 55.803 -0.023 0.000 0.916 151 Q CB -0.046 28.675 28.738 -0.028 0.000 1.024 151 Q HN 0.302 nan 8.270 nan 0.000 0.504 152 L N 1.800 122.984 121.223 -0.065 0.000 2.319 152 L HA 0.279 4.619 4.340 0.000 0.000 0.280 152 L C 0.181 177.090 176.870 0.065 0.000 1.099 152 L CA -0.109 54.692 54.840 -0.065 0.000 0.828 152 L CB 0.623 42.527 42.059 -0.257 0.000 1.150 152 L HN 0.014 nan 8.230 nan 0.000 0.442 153 R N 1.620 122.168 120.500 0.081 0.000 2.540 153 R HA 0.712 5.052 4.340 0.000 0.000 0.287 153 R C 0.382 176.783 176.300 0.167 0.000 0.980 153 R CA 0.254 56.426 56.100 0.120 0.000 0.966 153 R CB 1.865 32.206 30.300 0.069 0.000 1.106 153 R HN 0.881 nan 8.270 nan 0.000 0.480 154 G N 0.718 109.622 108.800 0.173 0.000 2.475 154 G HA2 -0.048 3.912 3.960 0.000 0.000 0.223 154 G HA3 -0.048 3.912 3.960 0.000 0.000 0.223 154 G C -1.287 173.725 174.900 0.186 0.000 1.201 154 G CA -0.309 44.893 45.100 0.169 0.000 0.962 154 G HN 0.823 nan 8.290 nan 0.000 0.586 155 A N -0.543 122.403 122.820 0.210 0.000 2.384 155 A HA 1.094 5.414 4.320 0.000 0.000 0.312 155 A C -0.776 177.009 177.584 0.335 0.000 1.113 155 A CA 0.263 52.353 52.037 0.088 0.000 0.779 155 A CB 1.549 20.590 19.000 0.069 0.000 1.307 155 A HN 2.348 nan 8.150 nan 0.000 0.436 156 Y N -1.851 118.580 120.300 0.218 0.000 2.294 156 Y HA 0.566 5.116 4.550 0.000 0.000 0.316 156 Y C -0.304 175.724 175.900 0.214 0.000 1.265 156 Y CA -0.631 57.653 58.100 0.308 0.000 1.149 156 Y CB 0.573 39.130 38.460 0.161 0.000 1.293 156 Y HN 1.001 nan 8.280 nan 0.000 0.416 157 G N 1.978 110.993 108.800 0.358 0.000 2.938 157 G HA2 0.488 4.448 3.960 0.000 0.000 0.308 157 G HA3 0.488 4.448 3.960 0.000 0.000 0.308 157 G C -1.338 173.757 174.900 0.326 0.000 1.422 157 G CA -0.681 44.574 45.100 0.257 0.000 1.071 157 G HN 0.776 nan 8.290 nan 0.000 0.530 158 T N 0.704 115.451 114.554 0.322 0.000 2.887 158 T HA 0.629 4.979 4.350 0.000 0.000 0.288 158 T C -0.672 174.131 174.700 0.173 0.000 1.021 158 T CA -0.363 61.891 62.100 0.257 0.000 1.000 158 T CB 1.712 70.680 68.868 0.166 0.000 1.034 158 T HN 0.255 nan 8.240 nan 0.000 0.467 159 V N 5.957 125.958 119.914 0.145 0.000 2.495 159 V HA 0.583 4.703 4.120 0.000 0.000 0.298 159 V C -0.248 175.892 176.094 0.077 0.000 1.031 159 V CA -0.773 61.592 62.300 0.109 0.000 0.871 159 V CB 1.426 33.316 31.823 0.111 0.000 0.988 159 V HN 0.798 nan 8.190 nan 0.000 0.432 160 I N 5.731 126.335 120.570 0.056 0.000 2.530 160 I HA 0.695 4.865 4.170 0.000 0.000 0.297 160 I C -0.302 175.839 176.117 0.041 0.000 1.011 160 I CA -0.669 60.651 61.300 0.034 0.000 1.107 160 I CB 1.955 39.961 38.000 0.010 0.000 1.285 160 I HN 0.722 nan 8.210 nan 0.000 0.436 161 M N 3.176 122.800 119.600 0.041 0.000 2.386 161 M HA 0.536 5.016 4.480 0.000 0.000 0.293 161 M C -1.633 174.711 176.300 0.074 0.000 1.120 161 M CA -0.620 54.713 55.300 0.055 0.000 0.909 161 M CB 2.478 35.110 32.600 0.052 0.000 1.661 161 M HN 0.293 nan 8.290 nan 0.000 0.452 162 D N 2.313 122.778 120.400 0.108 0.000 2.443 162 D HA 0.251 4.891 4.640 0.000 0.000 0.221 162 D C 0.995 177.369 176.300 0.122 0.000 1.097 162 D CA 0.171 54.271 54.000 0.166 0.000 0.865 162 D CB 1.410 42.346 40.800 0.226 0.000 1.034 162 D HN 0.853 nan 8.370 nan 0.000 0.511 163 S N 4.396 120.157 115.700 0.101 0.000 2.399 163 S HA -0.336 4.134 4.470 0.000 0.000 0.235 163 S C 1.682 176.281 174.600 -0.002 0.000 1.063 163 S CA 1.024 59.258 58.200 0.057 0.000 1.070 163 S CB -0.344 62.896 63.200 0.067 0.000 0.904 163 S HN 0.601 nan 8.310 nan 0.000 0.456 164 R N 0.841 121.313 120.500 -0.047 0.000 2.303 164 R HA 0.001 4.341 4.340 0.000 0.000 0.225 164 R C 0.103 176.117 176.300 -0.478 0.000 1.114 164 R CA 1.288 57.238 56.100 -0.250 0.000 1.007 164 R CB -0.345 29.746 30.300 -0.349 0.000 0.861 164 R HN 0.692 nan 8.270 nan 0.000 0.471 165 H N -0.746 118.314 119.070 -0.017 0.000 2.488 165 H HA 0.134 4.690 4.556 0.000 0.000 0.237 165 H C -1.892 173.431 175.328 -0.008 0.000 1.395 165 H CA -1.573 54.464 56.048 -0.018 0.000 1.491 165 H CB 1.287 31.038 29.762 -0.019 0.000 1.567 165 H HN -0.022 nan 8.280 nan 0.000 0.508 166 P HA -0.106 nan 4.420 nan 0.000 0.242 166 P C 0.578 177.898 177.300 0.032 0.000 1.197 166 P CA 0.717 63.839 63.100 0.036 0.000 0.765 166 P CB 0.511 32.215 31.700 0.006 0.000 0.936 167 D N -1.017 119.410 120.400 0.045 0.000 2.317 167 D HA -0.026 4.614 4.640 0.000 0.000 0.211 167 D C -0.012 176.297 176.300 0.015 0.000 0.966 167 D CA 0.621 54.635 54.000 0.023 0.000 0.876 167 D CB -0.224 40.591 40.800 0.026 0.000 0.927 167 D HN 0.035 nan 8.370 nan 0.000 0.519 168 T N 1.023 115.594 114.554 0.029 0.000 2.841 168 T HA 0.478 4.828 4.350 0.000 0.000 0.285 168 T C -0.378 174.340 174.700 0.029 0.000 0.991 168 T CA -0.608 61.504 62.100 0.020 0.000 0.966 168 T CB 2.180 71.054 68.868 0.009 0.000 0.962 168 T HN 0.007 nan 8.240 nan 0.000 0.438 169 L N 3.576 124.814 121.223 0.025 0.000 2.334 169 L HA 0.612 4.952 4.340 0.000 0.000 0.273 169 L C -0.757 176.142 176.870 0.048 0.000 1.013 169 L CA -1.182 53.680 54.840 0.036 0.000 0.816 169 L CB 1.451 43.529 42.059 0.032 0.000 1.278 169 L HN 0.233 nan 8.230 nan 0.000 0.431 170 L N 1.869 123.124 121.223 0.052 0.000 2.330 170 L HA 0.812 5.152 4.340 0.000 0.000 0.271 170 L C -0.186 176.730 176.870 0.077 0.000 1.013 170 L CA -0.363 54.514 54.840 0.062 0.000 0.816 170 L CB 1.768 43.851 42.059 0.040 0.000 1.287 170 L HN 0.745 nan 8.230 nan 0.000 0.435 171 A N 2.245 125.124 122.820 0.098 0.000 2.488 171 A HA 0.859 5.179 4.320 0.000 0.000 0.298 171 A C -1.240 176.430 177.584 0.143 0.000 1.044 171 A CA -0.364 51.743 52.037 0.118 0.000 0.693 171 A CB 1.792 20.861 19.000 0.116 0.000 1.272 171 A HN 0.779 nan 8.150 nan 0.000 0.402 172 A N 2.013 124.940 122.820 0.178 0.000 2.359 172 A HA 0.768 5.088 4.320 0.000 0.000 0.303 172 A C -0.376 177.383 177.584 0.292 0.000 1.066 172 A CA -0.529 51.654 52.037 0.244 0.000 0.730 172 A CB 1.014 20.170 19.000 0.261 0.000 1.211 172 A HN 0.803 nan 8.150 nan 0.000 0.439 173 R N 1.617 122.235 120.500 0.196 0.000 2.255 173 R HA 0.574 4.914 4.340 0.000 0.000 0.326 173 R C -0.865 175.361 176.300 -0.124 0.000 0.986 173 R CA 0.035 56.178 56.100 0.073 0.000 0.847 173 R CB 1.139 31.481 30.300 0.070 0.000 1.111 173 R HN 0.643 nan 8.270 nan 0.000 0.452 174 S N 2.522 117.956 115.700 -0.444 0.000 2.776 174 S HA 0.495 4.965 4.470 0.000 0.000 0.284 174 S C 0.432 174.818 174.600 -0.356 0.000 1.160 174 S CA 0.423 58.262 58.200 -0.602 0.000 1.051 174 S CB 1.224 63.540 63.200 -1.474 0.000 1.037 174 S HN 0.967 nan 8.310 nan 0.000 0.485 175 G N 4.061 112.763 108.800 -0.164 0.000 5.306 175 G HA2 -0.300 3.660 3.960 0.000 0.000 0.318 175 G HA3 -0.300 3.660 3.960 0.000 0.000 0.318 175 G C 0.411 175.286 174.900 -0.041 0.000 1.413 175 G CA 0.168 45.221 45.100 -0.079 0.000 0.981 175 G HN 1.395 nan 8.290 nan 0.000 0.788 176 S N 4.478 120.159 115.700 -0.032 0.000 2.558 176 S HA 0.342 4.812 4.470 0.000 0.000 0.297 176 S C -1.755 172.861 174.600 0.027 0.000 1.283 176 S CA 0.668 58.873 58.200 0.008 0.000 1.044 176 S CB 0.742 63.964 63.200 0.037 0.000 0.789 176 S HN 0.753 nan 8.310 nan 0.000 0.500 177 P HA 0.458 nan 4.420 nan 0.000 0.284 177 P C -1.031 176.321 177.300 0.088 0.000 1.253 177 P CA -0.402 62.739 63.100 0.068 0.000 0.800 177 P CB 0.555 32.294 31.700 0.066 0.000 0.961 178 L N 2.543 123.834 121.223 0.115 0.000 2.541 178 L HA 0.378 4.718 4.340 0.000 0.000 0.266 178 L C -0.727 176.210 176.870 0.112 0.000 0.966 178 L CA -0.847 54.059 54.840 0.110 0.000 0.871 178 L CB 2.336 44.463 42.059 0.113 0.000 1.232 178 L HN 0.114 nan 8.230 nan 0.000 0.408 179 V N 5.293 125.247 119.914 0.066 0.000 2.513 179 V HA 0.550 4.670 4.120 0.000 0.000 0.299 179 V C -0.132 175.984 176.094 0.037 0.000 1.035 179 V CA -0.400 61.880 62.300 -0.034 0.000 0.889 179 V CB 2.203 33.893 31.823 -0.221 0.000 0.988 179 V HN 0.490 nan 8.190 nan 0.000 0.440 180 I N 5.663 126.259 120.570 0.043 0.000 2.353 180 I HA 0.493 4.663 4.170 0.000 0.000 0.293 180 I C 0.816 177.046 176.117 0.189 0.000 0.992 180 I CA -0.235 61.131 61.300 0.111 0.000 1.268 180 I CB 1.553 39.589 38.000 0.061 0.000 1.387 180 I HN 0.706 nan 8.210 nan 0.000 0.478 181 G N 7.301 116.241 108.800 0.234 0.000 2.384 181 G HA2 0.580 4.540 3.960 0.000 0.000 0.316 181 G HA3 0.580 4.540 3.960 0.000 0.000 0.316 181 G C -0.540 174.417 174.900 0.095 0.000 1.160 181 G CA -0.556 44.614 45.100 0.117 0.000 0.936 181 G HN 0.463 nan 8.290 nan 0.000 0.455 182 L N 3.111 124.293 121.223 -0.068 0.000 2.315 182 L HA 0.480 4.820 4.340 0.000 0.000 0.283 182 L C 1.152 178.028 176.870 0.009 0.000 1.089 182 L CA -0.457 54.369 54.840 -0.024 0.000 0.833 182 L CB 0.941 42.961 42.059 -0.065 0.000 1.170 182 L HN 0.565 nan 8.230 nan 0.000 0.442 183 G N 3.604 112.456 108.800 0.087 0.000 2.613 183 G HA2 0.693 4.653 3.960 0.000 0.000 0.303 183 G HA3 0.693 4.653 3.960 0.000 0.000 0.303 183 G C -0.425 174.496 174.900 0.036 0.000 1.312 183 G CA -0.944 44.224 45.100 0.113 0.000 1.036 183 G HN 0.502 nan 8.290 nan 0.000 0.513 184 M N 1.020 120.644 119.600 0.039 0.000 2.063 184 M HA 0.460 4.940 4.480 0.000 0.000 0.348 184 M C 0.955 177.264 176.300 0.014 0.000 1.180 184 M CA 0.224 55.533 55.300 0.015 0.000 1.059 184 M CB 1.276 33.883 32.600 0.011 0.000 1.544 184 M HN 1.042 nan 8.290 nan 0.000 0.447 185 G N 2.113 110.909 108.800 -0.006 0.000 2.162 185 G HA2 -0.235 3.725 3.960 0.000 0.000 0.260 185 G HA3 -0.235 3.725 3.960 0.000 0.000 0.260 185 G C -0.295 174.581 174.900 -0.040 0.000 0.976 185 G CA 0.588 45.678 45.100 -0.016 0.000 0.655 185 G HN 0.879 nan 8.290 nan 0.000 0.533 186 E N -1.211 118.953 120.200 -0.060 0.000 2.388 186 E HA 0.647 4.997 4.350 0.000 0.000 0.281 186 E C -1.467 174.976 176.600 -0.262 0.000 1.046 186 E CA -1.233 55.062 56.400 -0.175 0.000 0.825 186 E CB 1.003 30.620 29.700 -0.138 0.000 1.243 186 E HN 0.044 nan 8.360 nan 0.000 0.438 187 N N 0.592 118.965 118.700 -0.546 0.000 2.416 187 N HA 0.625 5.365 4.740 0.000 0.000 0.276 187 N C -1.636 173.431 175.510 -0.739 0.000 1.261 187 N CA -0.367 52.438 53.050 -0.408 0.000 0.790 187 N CB 1.729 40.120 38.487 -0.159 0.000 1.554 187 N HN 0.418 nan 8.380 nan 0.000 0.481 188 F N 0.137 120.097 119.950 0.017 0.000 2.692 188 F HA 0.669 5.197 4.527 0.000 0.000 0.320 188 F C -0.433 175.398 175.800 0.052 0.000 1.123 188 F CA -0.795 57.227 58.000 0.037 0.000 0.961 188 F CB 1.973 40.998 39.000 0.042 0.000 1.383 188 F HN 0.192 nan 8.300 nan 0.000 0.483 189 I N 0.656 121.390 120.570 0.273 0.000 2.787 189 I HA 0.779 4.949 4.170 0.000 0.000 0.294 189 I C -1.854 174.354 176.117 0.152 0.000 1.365 189 I CA -0.334 61.071 61.300 0.176 0.000 1.029 189 I CB 1.844 39.920 38.000 0.128 0.000 1.313 189 I HN 0.826 nan 8.210 nan 0.000 0.431 190 A N 3.763 126.649 122.820 0.109 0.000 2.608 190 A HA 0.542 4.862 4.320 0.000 0.000 0.292 190 A C 0.076 177.691 177.584 0.051 0.000 1.066 190 A CA -0.144 51.936 52.037 0.071 0.000 0.676 190 A CB 1.460 20.488 19.000 0.046 0.000 1.277 190 A HN 0.628 nan 8.150 nan 0.000 0.413 191 S N 0.307 116.028 115.700 0.035 0.000 2.382 191 S HA -0.060 4.410 4.470 0.000 0.000 0.228 191 S C 0.609 175.235 174.600 0.044 0.000 1.027 191 S CA 1.831 60.052 58.200 0.034 0.000 0.991 191 S CB -0.287 62.909 63.200 -0.007 0.000 0.823 191 S HN 0.942 nan 8.310 nan 0.000 0.469 192 D N -1.075 119.340 120.400 0.026 0.000 2.610 192 D HA 0.221 4.861 4.640 0.000 0.000 0.271 192 D C 0.259 176.487 176.300 -0.120 0.000 1.174 192 D CA -0.616 53.387 54.000 0.006 0.000 0.949 192 D CB 0.606 41.457 40.800 0.085 0.000 1.430 192 D HN -0.093 nan 8.370 nan 0.000 0.467 193 Q N -0.560 119.103 119.800 -0.229 0.000 2.123 193 Q HA 0.083 4.423 4.340 0.000 0.000 0.199 193 Q C 1.998 177.834 176.000 -0.272 0.000 0.966 193 Q CA 1.095 56.563 55.803 -0.557 0.000 0.845 193 Q CB 0.031 28.361 28.738 -0.680 0.000 0.907 193 Q HN 0.445 nan 8.270 nan 0.000 0.439 194 L N -0.065 121.075 121.223 -0.138 0.000 2.217 194 L HA -0.069 4.271 4.340 0.000 0.000 0.211 194 L C 2.359 179.096 176.870 -0.222 0.000 1.107 194 L CA 0.647 55.417 54.840 -0.118 0.000 0.783 194 L CB -0.443 41.589 42.059 -0.044 0.000 0.919 194 L HN 0.162 nan 8.230 nan 0.000 0.442 195 A N -0.036 122.691 122.820 -0.154 0.000 2.015 195 A HA -0.055 4.265 4.320 0.000 0.000 0.219 195 A C 2.101 179.613 177.584 -0.120 0.000 1.163 195 A CA 1.206 53.153 52.037 -0.149 0.000 0.646 195 A CB -0.371 18.588 19.000 -0.069 0.000 0.806 195 A HN 0.414 nan 8.150 nan 0.000 0.448 196 L N -0.731 120.461 121.223 -0.052 0.000 2.640 196 L HA 0.190 4.530 4.340 0.000 0.000 0.230 196 L C 1.682 178.550 176.870 -0.003 0.000 1.123 196 L CA -0.098 54.728 54.840 -0.023 0.000 0.900 196 L CB -0.040 42.111 42.059 0.153 0.000 1.146 196 L HN 0.311 nan 8.230 nan 0.000 0.484 197 L N 0.486 121.730 121.223 0.034 0.000 2.191 197 L HA -0.128 4.212 4.340 0.000 0.000 0.212 197 L C -0.205 176.642 176.870 -0.038 0.000 1.103 197 L CA 1.003 55.873 54.840 0.049 0.000 0.769 197 L CB -1.339 40.761 42.059 0.069 0.000 0.908 197 L HN 0.264 nan 8.230 nan 0.000 0.438 198 P HA -0.145 nan 4.420 nan 0.000 0.220 198 P C 1.547 178.775 177.300 -0.120 0.000 1.148 198 P CA 1.232 64.281 63.100 -0.084 0.000 0.803 198 P CB 0.045 31.690 31.700 -0.092 0.000 0.782 199 V N -6.491 113.292 119.914 -0.217 0.000 3.523 199 V HA 0.311 4.431 4.120 0.000 0.000 0.255 199 V C 0.639 176.596 176.094 -0.228 0.000 1.226 199 V CA 0.862 62.991 62.300 -0.284 0.000 1.092 199 V CB 0.154 31.611 31.823 -0.610 0.000 0.817 199 V HN 0.096 nan 8.190 nan 0.000 0.458 200 T N -0.379 114.043 114.554 -0.221 0.000 2.893 200 T HA 0.442 4.793 4.350 0.000 0.000 0.337 200 T C -0.403 174.098 174.700 -0.331 0.000 1.587 200 T CA -0.512 61.437 62.100 -0.251 0.000 1.066 200 T CB 2.018 70.715 68.868 -0.285 0.000 1.414 200 T HN 0.209 nan 8.240 nan 0.000 0.488 201 R N 1.064 121.336 120.500 -0.380 0.000 2.476 201 R HA 0.275 4.615 4.340 0.000 0.000 0.276 201 R C 0.519 176.457 176.300 -0.604 0.000 0.941 201 R CA -0.273 55.627 56.100 -0.332 0.000 1.088 201 R CB 0.689 30.939 30.300 -0.085 0.000 1.216 201 R HN 0.344 nan 8.270 nan 0.000 0.533 202 R N 0.764 120.825 120.500 -0.731 0.000 2.265 202 R HA 0.362 4.702 4.340 0.000 0.000 0.319 202 R C -1.262 174.558 176.300 -0.800 0.000 1.006 202 R CA -0.090 55.689 56.100 -0.534 0.000 0.880 202 R CB 0.610 30.751 30.300 -0.264 0.000 1.077 202 R HN -0.220 nan 8.270 nan 0.000 0.454 203 F N 3.531 123.413 119.950 -0.113 0.000 2.588 203 F HA 0.534 5.061 4.527 0.000 0.000 0.314 203 F C -0.044 175.571 175.800 -0.307 0.000 1.069 203 F CA -0.812 57.041 58.000 -0.245 0.000 0.931 203 F CB 1.600 40.361 39.000 -0.398 0.000 1.260 203 F HN 0.203 nan 8.300 nan 0.000 0.465 204 I N 2.760 123.251 120.570 -0.131 0.000 2.447 204 I HA 0.327 4.497 4.170 0.000 0.000 0.287 204 I C -1.252 174.703 176.117 -0.271 0.000 1.023 204 I CA -0.593 60.613 61.300 -0.156 0.000 1.083 204 I CB 1.444 39.425 38.000 -0.030 0.000 1.245 204 I HN 0.342 nan 8.210 nan 0.000 0.434 205 F N 6.116 126.119 119.950 0.087 0.000 2.410 205 F HA 0.394 4.921 4.527 0.000 0.000 0.348 205 F C 0.336 176.166 175.800 0.050 0.000 1.106 205 F CA -0.572 57.462 58.000 0.056 0.000 1.163 205 F CB 0.546 39.565 39.000 0.032 0.000 1.129 205 F HN 0.152 nan 8.300 nan 0.000 0.516 206 L N 4.024 125.368 121.223 0.202 0.000 2.380 206 L HA 0.225 4.565 4.340 0.000 0.000 0.273 206 L C 0.487 177.437 176.870 0.133 0.000 1.138 206 L CA -0.622 54.302 54.840 0.141 0.000 0.832 206 L CB 0.400 42.529 42.059 0.116 0.000 1.124 206 L HN 0.549 nan 8.230 nan 0.000 0.454 207 E N 1.491 121.752 120.200 0.101 0.000 2.351 207 E HA 0.076 4.426 4.350 0.000 0.000 0.255 207 E C -0.399 176.235 176.600 0.057 0.000 1.188 207 E CA -0.711 55.733 56.400 0.072 0.000 0.940 207 E CB 0.476 30.213 29.700 0.061 0.000 1.094 207 E HN 0.317 nan 8.360 nan 0.000 0.474 208 E N -0.034 120.187 120.200 0.035 0.000 2.498 208 E HA 0.163 4.513 4.350 0.000 0.000 0.252 208 E C 0.642 177.266 176.600 0.039 0.000 1.025 208 E CA 1.147 57.558 56.400 0.019 0.000 0.938 208 E CB -0.466 29.239 29.700 0.008 0.000 0.947 208 E HN 0.669 nan 8.360 nan 0.000 0.478 209 G N 3.951 112.778 108.800 0.045 0.000 2.157 209 G HA2 -0.245 3.715 3.960 0.000 0.000 0.248 209 G HA3 -0.245 3.715 3.960 0.000 0.000 0.248 209 G C -0.360 174.612 174.900 0.119 0.000 0.979 209 G CA -0.004 45.150 45.100 0.090 0.000 0.650 209 G HN 0.595 nan 8.290 nan 0.000 0.529 210 D N 0.184 120.652 120.400 0.113 0.000 2.351 210 D HA 0.542 5.182 4.640 0.000 0.000 0.251 210 D C 0.382 176.779 176.300 0.161 0.000 1.137 210 D CA 0.142 54.220 54.000 0.130 0.000 0.879 210 D CB 1.105 41.969 40.800 0.107 0.000 1.181 210 D HN 0.165 nan 8.370 nan 0.000 0.448 211 I N 1.757 122.446 120.570 0.197 0.000 2.377 211 I HA 0.469 4.639 4.170 0.000 0.000 0.293 211 I C -0.035 176.241 176.117 0.265 0.000 0.987 211 I CA -0.595 60.831 61.300 0.210 0.000 1.185 211 I CB 1.748 39.856 38.000 0.180 0.000 1.341 211 I HN 0.337 nan 8.210 nan 0.000 0.455 212 A N 5.232 128.175 122.820 0.206 0.000 2.331 212 A HA 0.659 4.979 4.320 0.000 0.000 0.320 212 A C -0.512 177.185 177.584 0.188 0.000 1.138 212 A CA -0.546 51.603 52.037 0.188 0.000 0.790 212 A CB 0.762 19.833 19.000 0.117 0.000 1.206 212 A HN 0.689 nan 8.150 nan 0.000 0.470 213 E N 2.665 123.003 120.200 0.230 0.000 2.092 213 E HA 0.560 4.910 4.350 0.000 0.000 0.271 213 E C -1.503 175.159 176.600 0.103 0.000 0.919 213 E CA -0.296 56.210 56.400 0.176 0.000 0.760 213 E CB 0.546 30.405 29.700 0.264 0.000 1.106 213 E HN 0.566 nan 8.360 nan 0.000 0.408 214 I N 4.429 125.036 120.570 0.061 0.000 2.439 214 I HA 0.229 4.399 4.170 0.000 0.000 0.285 214 I C 0.456 176.574 176.117 0.001 0.000 1.021 214 I CA -0.517 60.798 61.300 0.025 0.000 1.091 214 I CB 1.883 39.895 38.000 0.019 0.000 1.242 214 I HN 0.513 nan 8.210 nan 0.000 0.439 215 T N 1.706 116.253 114.554 -0.012 0.000 2.888 215 T HA 0.381 4.731 4.350 0.000 0.000 0.283 215 T C 1.069 175.731 174.700 -0.064 0.000 1.013 215 T CA -0.715 61.368 62.100 -0.029 0.000 0.938 215 T CB 0.933 69.791 68.868 -0.017 0.000 1.298 215 T HN 0.709 nan 8.240 nan 0.000 0.580 216 R N -0.245 120.213 120.500 -0.071 0.000 2.313 216 R HA 0.255 4.595 4.340 0.000 0.000 0.199 216 R C 1.719 177.976 176.300 -0.071 0.000 0.958 216 R CA 0.198 56.237 56.100 -0.102 0.000 1.047 216 R CB -0.073 30.167 30.300 -0.099 0.000 0.955 216 R HN 0.508 nan 8.270 nan 0.000 0.481 217 R N 0.441 120.913 120.500 -0.047 0.000 2.342 217 R HA 0.141 4.481 4.340 0.000 0.000 0.204 217 R C -0.064 176.220 176.300 -0.026 0.000 0.882 217 R CA 0.643 56.724 56.100 -0.032 0.000 1.041 217 R CB 1.127 31.413 30.300 -0.023 0.000 1.188 217 R HN 0.281 nan 8.270 nan 0.000 0.598 218 S N -0.741 114.945 115.700 -0.024 0.000 2.579 218 S HA 0.571 5.041 4.470 0.000 0.000 0.272 218 S C -0.853 173.737 174.600 -0.017 0.000 1.141 218 S CA -0.806 57.383 58.200 -0.019 0.000 0.843 218 S CB 2.654 65.847 63.200 -0.012 0.000 1.122 218 S HN -0.152 nan 8.310 nan 0.000 0.468 219 V N 2.162 122.063 119.914 -0.022 0.000 2.482 219 V HA 0.534 4.654 4.120 0.000 0.000 0.295 219 V C -1.249 174.816 176.094 -0.048 0.000 1.026 219 V CA -0.677 61.611 62.300 -0.019 0.000 0.856 219 V CB 1.408 33.221 31.823 -0.015 0.000 1.001 219 V HN 0.925 nan 8.190 nan 0.000 0.424 220 N N 4.513 123.180 118.700 -0.054 0.000 2.392 220 N HA 0.734 5.475 4.740 0.000 0.000 0.283 220 N C -0.933 174.419 175.510 -0.264 0.000 1.003 220 N CA -0.403 52.531 53.050 -0.194 0.000 0.892 220 N CB 1.933 40.316 38.487 -0.173 0.000 1.193 220 N HN 0.572 nan 8.380 nan 0.000 0.487 221 I N 1.612 121.949 120.570 -0.389 0.000 2.562 221 I HA 0.541 4.711 4.170 0.000 0.000 0.301 221 I C -0.777 175.021 176.117 -0.532 0.000 1.003 221 I CA -0.759 60.379 61.300 -0.269 0.000 1.127 221 I CB 1.122 39.075 38.000 -0.079 0.000 1.304 221 I HN 0.256 nan 8.210 nan 0.000 0.446 222 F N 1.922 121.893 119.950 0.035 0.000 2.588 222 F HA 0.350 4.877 4.527 0.000 0.000 0.314 222 F C 0.213 176.038 175.800 0.041 0.000 1.069 222 F CA -0.846 57.174 58.000 0.033 0.000 0.931 222 F CB 1.322 40.339 39.000 0.029 0.000 1.260 222 F HN 0.491 nan 8.300 nan 0.000 0.465 223 D N 0.702 121.242 120.400 0.235 0.000 2.469 223 D HA 0.154 4.794 4.640 0.000 0.000 0.278 223 D C 0.995 177.384 176.300 0.147 0.000 1.231 223 D CA -0.268 53.824 54.000 0.154 0.000 1.075 223 D CB 0.581 41.444 40.800 0.104 0.000 1.121 223 D HN 0.322 nan 8.370 nan 0.000 0.571 224 K N -0.947 119.518 120.400 0.108 0.000 2.057 224 K HA -0.089 4.231 4.320 0.000 0.000 0.206 224 K C 2.069 178.711 176.600 0.070 0.000 1.050 224 K CA 2.266 58.608 56.287 0.091 0.000 0.935 224 K CB -0.956 31.593 32.500 0.082 0.000 0.715 224 K HN 0.652 nan 8.250 nan 0.000 0.439 225 T N -3.961 110.633 114.554 0.067 0.000 2.867 225 T HA 0.073 4.423 4.350 0.000 0.000 0.268 225 T C 1.502 176.227 174.700 0.042 0.000 1.057 225 T CA 1.166 63.295 62.100 0.049 0.000 1.136 225 T CB -0.075 68.822 68.868 0.047 0.000 0.874 225 T HN 0.314 nan 8.240 nan 0.000 0.466 226 G N 0.705 109.551 108.800 0.077 0.000 2.273 226 G HA2 0.188 4.148 3.960 0.000 0.000 0.162 226 G HA3 0.188 4.148 3.960 0.000 0.000 0.162 226 G C 0.205 175.233 174.900 0.213 0.000 1.006 226 G CA -0.162 44.977 45.100 0.064 0.000 0.704 226 G HN 0.982 nan 8.290 nan 0.000 0.487 227 A N 0.597 123.538 122.820 0.201 0.000 2.488 227 A HA 0.562 4.882 4.320 0.000 0.000 0.249 227 A C 0.488 178.217 177.584 0.241 0.000 1.083 227 A CA 0.506 52.664 52.037 0.202 0.000 0.768 227 A CB 0.288 19.354 19.000 0.109 0.000 1.017 227 A HN 0.511 nan 8.150 nan 0.000 0.496 228 E N 1.474 121.775 120.200 0.170 0.000 2.366 228 E HA 0.334 4.684 4.350 0.000 0.000 0.266 228 E C -0.096 176.438 176.600 -0.110 0.000 1.015 228 E CA -0.223 56.097 56.400 -0.135 0.000 0.906 228 E CB 0.485 30.055 29.700 -0.217 0.000 0.979 228 E HN 0.624 nan 8.360 nan 0.000 0.443 229 V N 1.849 121.666 119.914 -0.161 0.000 2.881 229 V HA 0.584 4.704 4.120 0.000 0.000 0.316 229 V C -0.859 175.172 176.094 -0.104 0.000 1.070 229 V CA -1.053 61.196 62.300 -0.084 0.000 0.976 229 V CB 1.929 33.737 31.823 -0.024 0.000 1.038 229 V HN 0.414 nan 8.190 nan 0.000 0.446 230 K N 3.347 123.714 120.400 -0.055 0.000 2.293 230 K HA 0.586 4.906 4.320 0.000 0.000 0.267 230 K C -0.650 175.941 176.600 -0.015 0.000 1.010 230 K CA -0.418 55.843 56.287 -0.044 0.000 0.875 230 K CB 1.346 33.827 32.500 -0.031 0.000 1.106 230 K HN 0.676 nan 8.250 nan 0.000 0.450 231 R N 2.260 122.754 120.500 -0.009 0.000 2.445 231 R HA 0.235 4.575 4.340 0.000 0.000 0.308 231 R C -0.074 176.243 176.300 0.029 0.000 0.961 231 R CA -1.100 55.014 56.100 0.023 0.000 0.862 231 R CB 1.322 31.644 30.300 0.036 0.000 1.144 231 R HN 0.524 nan 8.270 nan 0.000 0.447 232 Q N 1.086 120.916 119.800 0.050 0.000 2.394 232 Q HA 0.184 4.524 4.340 0.000 0.000 0.248 232 Q C -0.086 175.951 176.000 0.062 0.000 0.992 232 Q CA -0.265 55.568 55.803 0.050 0.000 0.888 232 Q CB 0.522 29.293 28.738 0.055 0.000 1.257 232 Q HN 0.472 nan 8.270 nan 0.000 0.462 233 D N 1.073 121.498 120.400 0.042 0.000 2.181 233 D HA 0.533 5.173 4.640 0.000 0.000 0.248 233 D C -0.355 175.983 176.300 0.064 0.000 1.020 233 D CA -0.755 53.267 54.000 0.037 0.000 0.891 233 D CB 1.251 42.049 40.800 -0.003 0.000 1.187 233 D HN 0.671 nan 8.370 nan 0.000 0.443 234 I N -2.939 117.686 120.570 0.091 0.000 2.785 234 I HA 0.578 4.748 4.170 0.000 0.000 0.302 234 I C -0.702 175.476 176.117 0.102 0.000 1.069 234 I CA -1.259 60.115 61.300 0.123 0.000 1.045 234 I CB 2.259 40.389 38.000 0.217 0.000 1.236 234 I HN 0.179 nan 8.210 nan 0.000 0.429 235 E N 2.814 123.067 120.200 0.089 0.000 2.109 235 E HA 0.360 4.710 4.350 0.000 0.000 0.278 235 E C -0.583 176.096 176.600 0.132 0.000 0.954 235 E CA -0.381 56.062 56.400 0.072 0.000 0.779 235 E CB 1.014 30.735 29.700 0.036 0.000 1.093 235 E HN 0.738 nan 8.360 nan 0.000 0.401 236 S N 3.627 119.448 115.700 0.202 0.000 2.562 236 S HA 0.170 4.640 4.470 0.000 0.000 0.275 236 S C 0.597 175.282 174.600 0.141 0.000 1.281 236 S CA -0.694 57.634 58.200 0.215 0.000 1.045 236 S CB 0.895 64.287 63.200 0.321 0.000 0.962 236 S HN 0.636 nan 8.310 nan 0.000 0.503 237 N N 2.407 121.171 118.700 0.108 0.000 2.230 237 N HA 0.083 4.823 4.740 0.000 0.000 0.202 237 N C -0.493 175.062 175.510 0.074 0.000 1.119 237 N CA -0.307 52.789 53.050 0.077 0.000 0.851 237 N CB -0.607 37.913 38.487 0.056 0.000 0.990 237 N HN 0.465 nan 8.380 nan 0.000 0.497 238 L N 1.868 123.145 121.223 0.090 0.000 2.525 238 L HA 0.052 4.392 4.340 0.000 0.000 0.278 238 L C 0.487 177.408 176.870 0.085 0.000 1.218 238 L CA 0.865 55.751 54.840 0.076 0.000 0.878 238 L CB 0.180 42.281 42.059 0.071 0.000 1.127 238 L HN 0.138 nan 8.230 nan 0.000 0.492 239 Q N 2.458 122.301 119.800 0.072 0.000 2.316 239 Q HA 0.235 4.575 4.340 0.000 0.000 0.264 239 Q C -0.983 175.089 176.000 0.119 0.000 0.987 239 Q CA -0.716 55.137 55.803 0.083 0.000 0.852 239 Q CB 1.586 30.352 28.738 0.047 0.000 1.287 239 Q HN 0.417 nan 8.270 nan 0.000 0.448 240 Y N 2.579 122.882 120.300 0.005 0.000 2.480 240 Y HA 0.076 4.626 4.550 0.000 0.000 0.341 240 Y C -0.356 175.541 175.900 -0.005 0.000 1.031 240 Y CA -0.496 57.602 58.100 -0.004 0.000 1.295 240 Y CB 0.489 38.951 38.460 0.004 0.000 1.162 240 Y HN 0.422 nan 8.280 nan 0.000 0.523 241 D N 5.191 125.295 120.400 -0.493 0.000 2.454 241 D HA 0.319 4.959 4.640 0.000 0.000 0.225 241 D C 0.481 176.345 176.300 -0.728 0.000 1.081 241 D CA -0.033 53.700 54.000 -0.445 0.000 0.864 241 D CB 1.169 41.841 40.800 -0.215 0.000 1.040 241 D HN 0.692 nan 8.370 nan 0.000 0.517 242 A N 2.960 125.352 122.820 -0.714 0.000 2.121 242 A HA 0.409 4.729 4.320 0.000 0.000 0.218 242 A C 1.316 178.747 177.584 -0.255 0.000 1.154 242 A CA 0.833 52.521 52.037 -0.582 0.000 0.679 242 A CB -0.850 17.996 19.000 -0.255 0.000 0.795 242 A HN 1.082 nan 8.150 nan 0.000 0.458 243 G N -1.349 107.345 108.800 -0.177 0.000 2.728 243 G HA2 0.066 4.026 3.960 0.000 0.000 0.686 243 G HA3 0.066 4.026 3.960 0.000 0.000 0.686 243 G C -0.937 174.037 174.900 0.123 0.000 1.337 243 G CA 0.026 45.103 45.100 -0.039 0.000 0.861 243 G HN 0.558 nan 8.290 nan 0.000 0.597 244 D N -0.101 120.426 120.400 0.210 0.000 2.579 244 D HA 0.444 5.084 4.640 0.000 0.000 0.257 244 D C 0.798 177.188 176.300 0.149 0.000 1.176 244 D CA -0.844 53.282 54.000 0.210 0.000 0.914 244 D CB 1.669 42.512 40.800 0.072 0.000 1.431 244 D HN 0.318 nan 8.370 nan 0.000 0.454 245 K N 0.254 120.605 120.400 -0.082 0.000 2.374 245 K HA 0.245 4.565 4.320 0.000 0.000 0.196 245 K C 1.221 177.809 176.600 -0.020 0.000 1.023 245 K CA 0.349 56.525 56.287 -0.186 0.000 1.103 245 K CB 0.234 32.480 32.500 -0.425 0.000 0.848 245 K HN 0.620 nan 8.250 nan 0.000 0.528 246 G N 2.487 111.277 108.800 -0.018 0.000 2.672 246 G HA2 -0.373 3.587 3.960 0.000 0.000 0.324 246 G HA3 -0.373 3.587 3.960 0.000 0.000 0.324 246 G C 0.812 175.612 174.900 -0.166 0.000 1.286 246 G CA 0.822 45.887 45.100 -0.059 0.000 1.004 246 G HN 0.433 nan 8.290 nan 0.000 0.548 247 I N -1.720 118.637 120.570 -0.354 0.000 3.684 247 I HA 0.434 4.604 4.170 0.000 0.000 0.304 247 I C 0.738 176.578 176.117 -0.461 0.000 1.278 247 I CA -0.321 60.717 61.300 -0.436 0.000 1.272 247 I CB -0.172 37.514 38.000 -0.524 0.000 1.029 247 I HN 0.264 nan 8.210 nan 0.000 0.458 248 Y N 1.349 121.557 120.300 -0.153 0.000 2.326 248 Y HA 0.440 4.990 4.550 0.000 0.000 0.324 248 Y C 1.580 177.384 175.900 -0.160 0.000 1.291 248 Y CA -0.766 57.238 58.100 -0.161 0.000 1.348 248 Y CB 0.487 38.836 38.460 -0.186 0.000 1.294 248 Y HN -0.164 nan 8.280 nan 0.000 0.525 249 R N 0.002 120.558 120.500 0.093 0.000 2.276 249 R HA 0.063 4.403 4.340 0.000 0.000 0.203 249 R C -0.469 175.580 176.300 -0.419 0.000 1.017 249 R CA 0.720 56.779 56.100 -0.068 0.000 1.010 249 R CB -0.085 30.290 30.300 0.125 0.000 0.900 249 R HN 0.652 nan 8.270 nan 0.000 0.469 250 H N -2.836 116.236 119.070 0.004 0.000 3.037 250 H HA 0.067 4.623 4.556 0.000 0.000 0.355 250 H C -0.074 175.179 175.328 -0.125 0.000 1.263 250 H CA -0.724 55.303 56.048 -0.034 0.000 1.129 250 H CB 0.915 30.790 29.762 0.187 0.000 1.861 250 H HN -0.179 nan 8.280 nan 0.000 0.546 251 Y N 0.524 120.898 120.300 0.124 0.000 2.133 251 Y HA -0.191 4.359 4.550 0.000 0.000 0.287 251 Y C 2.955 178.841 175.900 -0.022 0.000 1.134 251 Y CA 1.519 59.643 58.100 0.040 0.000 1.133 251 Y CB -0.062 38.418 38.460 0.033 0.000 0.987 251 Y HN 0.559 nan 8.280 nan 0.000 0.502 252 M N 0.311 120.009 119.600 0.164 0.000 2.108 252 M HA -0.403 4.077 4.480 0.000 0.000 0.257 252 M C 2.351 178.503 176.300 -0.246 0.000 1.071 252 M CA 2.271 57.562 55.300 -0.015 0.000 1.093 252 M CB -0.296 32.314 32.600 0.017 0.000 1.345 252 M HN 0.453 nan 8.290 nan 0.000 0.403 253 Q N 0.626 120.170 119.800 -0.426 0.000 2.014 253 Q HA -0.307 4.033 4.340 0.000 0.000 0.207 253 Q C 2.003 177.636 176.000 -0.611 0.000 0.993 253 Q CA 2.726 58.082 55.803 -0.745 0.000 0.850 253 Q CB -0.348 27.999 28.738 -0.651 0.000 0.916 253 Q HN 0.633 nan 8.270 nan 0.000 0.417 254 K N 0.170 120.270 120.400 -0.500 0.000 2.020 254 K HA -0.250 4.070 4.320 0.000 0.000 0.212 254 K C 1.728 178.202 176.600 -0.210 0.000 1.050 254 K CA 2.131 58.155 56.287 -0.438 0.000 0.929 254 K CB -0.180 32.340 32.500 0.033 0.000 0.714 254 K HN 0.367 nan 8.250 nan 0.000 0.443 255 E N 0.259 120.395 120.200 -0.106 0.000 2.265 255 E HA -0.146 4.204 4.350 0.000 0.000 0.196 255 E C 2.024 178.569 176.600 -0.092 0.000 0.996 255 E CA 1.154 57.520 56.400 -0.057 0.000 0.832 255 E CB -0.090 29.601 29.700 -0.017 0.000 0.756 255 E HN 0.441 nan 8.360 nan 0.000 0.491 256 I N -0.219 120.258 120.570 -0.155 0.000 2.277 256 I HA -0.214 3.956 4.170 0.000 0.000 0.243 256 I C 1.596 177.611 176.117 -0.170 0.000 1.094 256 I CA 0.858 62.056 61.300 -0.170 0.000 1.393 256 I CB -0.054 37.804 38.000 -0.237 0.000 1.078 256 I HN 0.062 nan 8.210 nan 0.000 0.417 257 Y N 0.610 120.712 120.300 -0.330 0.000 2.639 257 Y HA -0.148 4.402 4.550 0.000 0.000 0.297 257 Y C 2.228 178.060 175.900 -0.114 0.000 1.151 257 Y CA 0.926 58.882 58.100 -0.241 0.000 1.335 257 Y CB -0.206 38.017 38.460 -0.395 0.000 0.994 257 Y HN 0.238 nan 8.280 nan 0.000 0.548 258 E N -0.491 119.716 120.200 0.012 0.000 2.481 258 E HA -0.059 4.291 4.350 0.000 0.000 0.198 258 E C 1.379 177.978 176.600 -0.002 0.000 1.027 258 E CA -0.000 56.416 56.400 0.027 0.000 0.900 258 E CB 0.238 29.955 29.700 0.027 0.000 0.993 258 E HN 0.559 nan 8.360 nan 0.000 0.482 259 Q N 0.262 120.043 119.800 -0.032 0.000 2.061 259 Q HA -0.132 4.208 4.340 0.000 0.000 0.204 259 Q C -0.842 175.149 176.000 -0.014 0.000 0.984 259 Q CA 1.671 57.456 55.803 -0.029 0.000 0.846 259 Q CB -0.750 27.959 28.738 -0.049 0.000 0.902 259 Q HN 0.321 nan 8.270 nan 0.000 0.421 260 P HA -0.146 nan 4.420 nan 0.000 0.215 260 P C 0.505 177.809 177.300 0.007 0.000 1.153 260 P CA 1.302 64.403 63.100 0.002 0.000 0.853 260 P CB 0.025 31.729 31.700 0.005 0.000 0.788 261 N N -0.800 117.908 118.700 0.013 0.000 2.084 261 N HA -0.113 4.627 4.740 0.000 0.000 0.190 261 N C 1.723 177.236 175.510 0.005 0.000 1.030 261 N CA 1.541 54.599 53.050 0.014 0.000 0.849 261 N CB -1.000 37.501 38.487 0.023 0.000 1.012 261 N HN -0.023 nan 8.380 nan 0.000 0.423 262 A N 0.332 123.153 122.820 0.002 0.000 1.933 262 A HA -0.066 4.254 4.320 0.000 0.000 0.218 262 A C 2.185 179.764 177.584 -0.009 0.000 1.175 262 A CA 0.983 53.017 52.037 -0.005 0.000 0.628 262 A CB -0.633 18.363 19.000 -0.007 0.000 0.814 262 A HN 0.286 nan 8.150 nan 0.000 0.444 263 I N -0.855 119.710 120.570 -0.009 0.000 2.353 263 I HA -0.196 3.974 4.170 0.000 0.000 0.248 263 I C 2.510 178.620 176.117 -0.013 0.000 1.119 263 I CA 1.310 62.602 61.300 -0.013 0.000 1.417 263 I CB -0.214 37.780 38.000 -0.010 0.000 1.078 263 I HN 0.334 nan 8.210 nan 0.000 0.421 264 K N 1.168 121.564 120.400 -0.007 0.000 2.063 264 K HA -0.235 4.085 4.320 0.000 0.000 0.208 264 K C 1.804 178.399 176.600 -0.008 0.000 1.048 264 K CA 1.923 58.207 56.287 -0.005 0.000 0.928 264 K CB -0.065 32.435 32.500 0.001 0.000 0.713 264 K HN 0.244 nan 8.250 nan 0.000 0.442 265 N N -0.057 118.638 118.700 -0.008 0.000 2.142 265 N HA -0.084 4.656 4.740 0.000 0.000 0.186 265 N C 1.559 177.060 175.510 -0.015 0.000 1.023 265 N CA 1.644 54.688 53.050 -0.010 0.000 0.852 265 N CB -0.585 37.896 38.487 -0.009 0.000 0.998 265 N HN 0.149 nan 8.380 nan 0.000 0.424 266 T N 0.940 115.484 114.554 -0.018 0.000 2.778 266 T HA -0.080 4.270 4.350 0.000 0.000 0.269 266 T C 1.789 176.473 174.700 -0.026 0.000 1.050 266 T CA 0.868 62.955 62.100 -0.023 0.000 1.137 266 T CB -0.154 68.698 68.868 -0.027 0.000 0.860 266 T HN 0.176 nan 8.240 nan 0.000 0.468 267 L N 0.195 121.404 121.223 -0.025 0.000 2.249 267 L HA 0.075 4.415 4.340 0.000 0.000 0.207 267 L C 1.030 177.886 176.870 -0.022 0.000 1.090 267 L CA 0.267 55.091 54.840 -0.028 0.000 0.802 267 L CB -0.680 41.364 42.059 -0.026 0.000 0.947 267 L HN 0.114 nan 8.230 nan 0.000 0.453 268 T N 1.058 115.602 114.554 -0.017 0.000 2.765 268 T HA 0.121 4.471 4.350 0.000 0.000 0.275 268 T C 1.165 175.856 174.700 -0.015 0.000 1.007 268 T CA 1.126 63.218 62.100 -0.013 0.000 1.175 268 T CB 0.361 69.224 68.868 -0.010 0.000 0.993 268 T HN 0.647 nan 8.240 nan 0.000 0.510 269 G N 3.661 112.453 108.800 -0.014 0.000 2.179 269 G HA2 -0.314 3.646 3.960 0.000 0.000 0.260 269 G HA3 -0.314 3.646 3.960 0.000 0.000 0.260 269 G C 0.835 175.723 174.900 -0.019 0.000 0.977 269 G CA 0.409 45.500 45.100 -0.015 0.000 0.641 269 G HN 0.691 nan 8.290 nan 0.000 0.533 270 R N -0.882 119.603 120.500 -0.024 0.000 2.437 270 R HA 0.374 4.714 4.340 0.000 0.000 0.257 270 R C 0.145 176.422 176.300 -0.039 0.000 0.927 270 R CA -0.141 55.940 56.100 -0.031 0.000 1.078 270 R CB 0.674 30.953 30.300 -0.035 0.000 1.161 270 R HN 0.319 nan 8.270 nan 0.000 0.529 271 I N 0.984 121.534 120.570 -0.033 0.000 2.405 271 I HA 0.162 4.332 4.170 0.000 0.000 0.280 271 I C -0.360 175.741 176.117 -0.027 0.000 1.027 271 I CA -0.455 60.823 61.300 -0.037 0.000 1.161 271 I CB 1.429 39.411 38.000 -0.031 0.000 1.300 271 I HN -0.146 nan 8.210 nan 0.000 0.463 272 S N 5.296 120.977 115.700 -0.033 0.000 2.461 272 S HA 0.450 4.920 4.470 0.000 0.000 0.322 272 S C 0.725 175.314 174.600 -0.019 0.000 1.063 272 S CA 0.281 58.468 58.200 -0.023 0.000 1.120 272 S CB -0.450 62.735 63.200 -0.025 0.000 0.968 272 S HN 1.011 nan 8.310 nan 0.000 0.467 273 H N 2.002 121.071 119.070 -0.003 0.000 2.385 273 H HA -0.136 4.420 4.556 0.000 0.000 0.319 273 H C 1.838 177.177 175.328 0.018 0.000 0.985 273 H CA 1.069 57.126 56.048 0.014 0.000 1.067 273 H CB -2.024 27.746 29.762 0.014 0.000 1.610 273 H HN 2.459 nan 8.280 nan 0.000 0.361 274 G N -0.539 108.267 108.800 0.009 0.000 2.175 274 G HA2 -0.225 3.735 3.960 0.000 0.000 0.265 274 G HA3 -0.225 3.735 3.960 0.000 0.000 0.265 274 G C 0.122 174.957 174.900 -0.109 0.000 0.979 274 G CA 1.129 46.214 45.100 -0.025 0.000 0.663 274 G HN 1.432 nan 8.290 nan 0.000 0.533 275 Q N -1.142 118.598 119.800 -0.100 0.000 2.387 275 Q HA 0.665 5.005 4.340 0.000 0.000 0.273 275 Q C -0.442 175.496 176.000 -0.103 0.000 1.089 275 Q CA -1.044 54.677 55.803 -0.136 0.000 0.824 275 Q CB 2.985 31.651 28.738 -0.119 0.000 1.367 275 Q HN 0.101 nan 8.270 nan 0.000 0.443 276 V N 1.448 121.297 119.914 -0.110 0.000 2.546 276 V HA 0.159 4.279 4.120 0.000 0.000 0.284 276 V C -0.770 175.285 176.094 -0.065 0.000 1.050 276 V CA -0.008 62.240 62.300 -0.086 0.000 0.981 276 V CB 1.461 33.227 31.823 -0.095 0.000 0.990 276 V HN 0.714 nan 8.190 nan 0.000 0.474 277 D N 4.077 124.447 120.400 -0.050 0.000 2.481 277 D HA 0.427 5.067 4.640 0.000 0.000 0.246 277 D C 0.035 176.316 176.300 -0.031 0.000 1.109 277 D CA -0.327 53.650 54.000 -0.038 0.000 0.845 277 D CB 1.269 42.050 40.800 -0.032 0.000 1.160 277 D HN 0.381 nan 8.370 nan 0.000 0.534 278 L N 3.271 124.478 121.223 -0.026 0.000 3.066 278 L HA 0.127 4.467 4.340 0.000 0.000 0.265 278 L C 1.984 178.844 176.870 -0.016 0.000 1.232 278 L CA -0.123 54.705 54.840 -0.020 0.000 1.031 278 L CB 0.109 42.158 42.059 -0.017 0.000 1.379 278 L HN 0.481 nan 8.230 nan 0.000 0.563 279 S N 0.403 116.093 115.700 -0.016 0.000 2.407 279 S HA -0.304 4.166 4.470 0.000 0.000 0.235 279 S C 1.708 176.302 174.600 -0.011 0.000 1.036 279 S CA 1.816 60.009 58.200 -0.013 0.000 1.013 279 S CB -0.355 62.838 63.200 -0.013 0.000 0.820 279 S HN 0.732 nan 8.310 nan 0.000 0.476 280 E N 1.492 121.686 120.200 -0.011 0.000 2.324 280 E HA -0.239 4.111 4.350 0.000 0.000 0.205 280 E C 1.907 178.502 176.600 -0.009 0.000 1.031 280 E CA 1.576 57.970 56.400 -0.010 0.000 0.836 280 E CB -0.778 28.915 29.700 -0.011 0.000 0.742 280 E HN 0.674 nan 8.360 nan 0.000 0.491 281 L N 0.439 121.656 121.223 -0.010 0.000 2.362 281 L HA 0.052 4.392 4.340 0.000 0.000 0.219 281 L C 1.235 178.100 176.870 -0.008 0.000 1.134 281 L CA 0.728 55.563 54.840 -0.009 0.000 0.807 281 L CB -0.569 41.485 42.059 -0.008 0.000 0.927 281 L HN 0.458 nan 8.230 nan 0.000 0.447 282 G N -1.054 107.742 108.800 -0.007 0.000 2.539 282 G HA2 -0.111 3.849 3.960 0.000 0.000 0.686 282 G HA3 -0.111 3.849 3.960 0.000 0.000 0.686 282 G C -2.380 172.517 174.900 -0.005 0.000 1.258 282 G CA -0.714 44.383 45.100 -0.005 0.000 0.846 282 G HN -0.117 nan 8.290 nan 0.000 0.647 283 P HA 0.029 nan 4.420 nan 0.000 0.229 283 P C 0.825 178.123 177.300 -0.003 0.000 1.150 283 P CA 1.213 64.311 63.100 -0.004 0.000 0.765 283 P CB 0.097 31.796 31.700 -0.003 0.000 0.783 284 N N -2.041 116.658 118.700 -0.003 0.000 2.305 284 N HA 0.195 4.936 4.740 0.000 0.000 0.248 284 N C 0.948 176.457 175.510 -0.002 0.000 1.290 284 N CA 0.054 53.103 53.050 -0.002 0.000 0.873 284 N CB 0.326 38.813 38.487 -0.001 0.000 1.261 284 N HN -0.008 nan 8.380 nan 0.000 0.504 285 A N 0.700 123.518 122.820 -0.003 0.000 1.930 285 A HA -0.111 4.209 4.320 0.000 0.000 0.217 285 A C 1.664 179.247 177.584 -0.001 0.000 1.175 285 A CA 1.368 53.404 52.037 -0.003 0.000 0.627 285 A CB -0.089 18.908 19.000 -0.004 0.000 0.815 285 A HN -0.015 nan 8.150 nan 0.000 0.443 286 D N -0.192 120.207 120.400 -0.003 0.000 2.224 286 D HA -0.077 4.563 4.640 0.000 0.000 0.205 286 D C 1.881 178.181 176.300 -0.000 0.000 0.965 286 D CA 0.885 54.883 54.000 -0.002 0.000 0.852 286 D CB -0.290 40.507 40.800 -0.005 0.000 0.947 286 D HN 0.592 nan 8.370 nan 0.000 0.494 287 E N -0.072 120.128 120.200 -0.000 0.000 2.097 287 E HA -0.199 4.151 4.350 0.000 0.000 0.196 287 E C 1.976 178.578 176.600 0.003 0.000 1.000 287 E CA 0.693 57.094 56.400 0.001 0.000 0.804 287 E CB -0.050 29.651 29.700 0.001 0.000 0.740 287 E HN 0.223 nan 8.360 nan 0.000 0.454 288 L N 0.494 121.719 121.223 0.003 0.000 2.084 288 L HA -0.044 4.296 4.340 0.000 0.000 0.202 288 L C 2.078 178.952 176.870 0.006 0.000 1.074 288 L CA 1.368 56.212 54.840 0.006 0.000 0.757 288 L CB -0.516 41.547 42.059 0.006 0.000 0.918 288 L HN 0.037 nan 8.230 nan 0.000 0.444 289 L N -0.383 120.843 121.223 0.005 0.000 2.187 289 L HA -0.159 4.181 4.340 0.000 0.000 0.213 289 L C 2.377 179.251 176.870 0.007 0.000 1.100 289 L CA 1.188 56.032 54.840 0.006 0.000 0.765 289 L CB -0.678 41.386 42.059 0.008 0.000 0.904 289 L HN 0.285 nan 8.230 nan 0.000 0.437 290 S N -0.591 115.112 115.700 0.006 0.000 2.474 290 S HA -0.071 4.399 4.470 0.000 0.000 0.235 290 S C 1.807 176.411 174.600 0.007 0.000 0.997 290 S CA 0.771 58.974 58.200 0.006 0.000 0.949 290 S CB -0.009 63.193 63.200 0.003 0.000 0.766 290 S HN 0.336 nan 8.310 nan 0.000 0.517 291 K N 1.155 121.559 120.400 0.008 0.000 2.296 291 K HA 0.141 4.461 4.320 0.000 0.000 0.200 291 K C 0.474 177.082 176.600 0.013 0.000 1.048 291 K CA 0.187 56.480 56.287 0.009 0.000 0.966 291 K CB -0.591 31.915 32.500 0.009 0.000 0.754 291 K HN 0.210 nan 8.250 nan 0.000 0.466 292 V N 3.481 123.402 119.914 0.012 0.000 2.475 292 V HA -0.062 4.058 4.120 0.000 0.000 0.292 292 V C 1.178 177.281 176.094 0.015 0.000 1.003 292 V CA 0.697 63.004 62.300 0.012 0.000 1.120 292 V CB -0.010 31.808 31.823 -0.009 0.000 0.937 292 V HN 0.277 nan 8.190 nan 0.000 0.476 293 E N 2.521 122.742 120.200 0.034 0.000 2.489 293 E HA 0.149 4.499 4.350 0.000 0.000 0.204 293 E C 0.335 176.984 176.600 0.082 0.000 1.006 293 E CA 0.035 56.462 56.400 0.045 0.000 0.936 293 E CB 0.625 30.351 29.700 0.043 0.000 1.002 293 E HN 0.775 nan 8.360 nan 0.000 0.488 294 H N -0.028 119.019 119.070 -0.038 0.000 3.079 294 H HA 0.369 4.925 4.556 0.000 0.000 0.356 294 H C -1.659 173.622 175.328 -0.078 0.000 1.221 294 H CA -0.621 55.398 56.048 -0.047 0.000 1.185 294 H CB 1.140 30.890 29.762 -0.020 0.000 1.882 294 H HN -0.093 nan 8.280 nan 0.000 0.543 295 I N 3.544 123.780 120.570 -0.557 0.000 2.389 295 I HA 0.126 4.297 4.170 0.000 0.000 0.288 295 I C -0.416 175.571 176.117 -0.218 0.000 0.999 295 I CA -0.761 60.335 61.300 -0.340 0.000 1.129 295 I CB 2.004 39.636 38.000 -0.613 0.000 1.288 295 I HN 0.369 nan 8.210 nan 0.000 0.444 296 Q N 7.245 127.089 119.800 0.075 0.000 2.325 296 Q HA 0.574 4.914 4.340 0.000 0.000 0.262 296 Q C -1.346 174.564 176.000 -0.150 0.000 0.968 296 Q CA -0.196 55.637 55.803 0.049 0.000 0.877 296 Q CB 1.291 30.104 28.738 0.125 0.000 1.253 296 Q HN 0.552 nan 8.270 nan 0.000 0.448 297 I N 4.915 125.401 120.570 -0.140 0.000 2.412 297 I HA 0.420 4.590 4.170 0.000 0.000 0.296 297 I C -0.554 175.475 176.117 -0.146 0.000 0.987 297 I CA -0.986 60.233 61.300 -0.134 0.000 1.180 297 I CB 1.335 39.294 38.000 -0.068 0.000 1.340 297 I HN 0.493 nan 8.210 nan 0.000 0.455 298 L N 5.418 126.547 121.223 -0.156 0.000 2.362 298 L HA 0.878 5.218 4.340 0.000 0.000 0.275 298 L C -0.189 176.663 176.870 -0.029 0.000 0.998 298 L CA -0.291 54.470 54.840 -0.132 0.000 0.820 298 L CB 1.860 43.770 42.059 -0.249 0.000 1.270 298 L HN 0.860 nan 8.230 nan 0.000 0.415 299 A N 2.097 124.948 122.820 0.051 0.000 2.483 299 A HA 0.827 5.147 4.320 0.000 0.000 0.306 299 A C -1.680 175.946 177.584 0.070 0.000 1.137 299 A CA -0.466 51.610 52.037 0.065 0.000 0.626 299 A CB 1.313 20.371 19.000 0.097 0.000 1.352 299 A HN 0.645 nan 8.150 nan 0.000 0.508 300 C N -1.155 118.180 119.300 0.058 0.000 2.971 300 C HA 0.882 5.342 4.460 0.000 0.000 0.310 300 C C 1.466 176.488 174.990 0.054 0.000 1.285 300 C CA 0.214 59.242 59.018 0.017 0.000 1.593 300 C CB 0.747 28.469 27.740 -0.029 0.000 2.076 300 C HN 2.621 nan 8.230 nan 0.000 0.472 301 G N 1.891 110.703 108.800 0.021 0.000 2.672 301 G HA2 -0.344 3.616 3.960 0.000 0.000 0.324 301 G HA3 -0.344 3.616 3.960 0.000 0.000 0.324 301 G C 1.005 175.927 174.900 0.036 0.000 1.286 301 G CA 1.263 46.368 45.100 0.008 0.000 1.004 301 G HN 0.843 nan 8.290 nan 0.000 0.548 302 T N 0.629 115.163 114.554 -0.035 0.000 2.788 302 T HA -0.024 4.326 4.350 0.000 0.000 0.268 302 T C 2.795 177.542 174.700 0.078 0.000 1.044 302 T CA 2.114 64.160 62.100 -0.091 0.000 1.139 302 T CB -0.381 68.385 68.868 -0.169 0.000 0.867 302 T HN 0.446 nan 8.240 nan 0.000 0.454 303 S N 0.145 115.905 115.700 0.100 0.000 2.382 303 S HA -0.094 4.376 4.470 0.000 0.000 0.228 303 S C 1.675 176.360 174.600 0.142 0.000 1.027 303 S CA 0.862 59.141 58.200 0.131 0.000 0.991 303 S CB -0.421 62.826 63.200 0.079 0.000 0.823 303 S HN 0.633 nan 8.310 nan 0.000 0.469 304 Y N 3.422 123.728 120.300 0.011 0.000 2.165 304 Y HA -0.189 4.361 4.550 0.000 0.000 0.286 304 Y C 1.919 177.828 175.900 0.015 0.000 1.155 304 Y CA 1.587 59.686 58.100 -0.001 0.000 1.164 304 Y CB -0.649 37.799 38.460 -0.021 0.000 0.978 304 Y HN 0.213 nan 8.280 nan 0.000 0.513 305 N N 0.046 118.734 118.700 -0.020 0.000 2.104 305 N HA -0.194 4.546 4.740 0.000 0.000 0.190 305 N C 2.158 177.700 175.510 0.053 0.000 1.024 305 N CA 1.831 54.838 53.050 -0.071 0.000 0.853 305 N CB -0.840 37.623 38.487 -0.040 0.000 1.008 305 N HN 0.581 nan 8.380 nan 0.000 0.424 306 S N -0.242 115.592 115.700 0.224 0.000 2.383 306 S HA -0.010 4.460 4.470 0.000 0.000 0.227 306 S C 2.195 176.751 174.600 -0.073 0.000 1.026 306 S CA 1.119 59.340 58.200 0.035 0.000 0.981 306 S CB -0.935 62.240 63.200 -0.040 0.000 0.818 306 S HN 0.332 nan 8.310 nan 0.000 0.472 307 G N 2.141 110.904 108.800 -0.061 0.000 2.440 307 G HA2 -0.157 3.803 3.960 0.000 0.000 0.218 307 G HA3 -0.157 3.803 3.960 0.000 0.000 0.218 307 G C 1.526 176.337 174.900 -0.149 0.000 1.154 307 G CA 1.252 46.303 45.100 -0.082 0.000 0.767 307 G HN 0.411 nan 8.290 nan 0.000 0.552 308 M N 0.309 119.742 119.600 -0.278 0.000 2.132 308 M HA -0.014 4.466 4.480 0.000 0.000 0.263 308 M C 2.797 179.022 176.300 -0.126 0.000 1.065 308 M CA 0.742 55.885 55.300 -0.262 0.000 1.122 308 M CB -0.967 31.391 32.600 -0.404 0.000 1.365 308 M HN 0.129 nan 8.290 nan 0.000 0.411 309 V N 0.808 120.586 119.914 -0.228 0.000 2.332 309 V HA -0.254 3.866 4.120 0.000 0.000 0.248 309 V C 2.592 178.347 176.094 -0.566 0.000 1.055 309 V CA 2.151 64.184 62.300 -0.445 0.000 1.038 309 V CB -1.179 30.266 31.823 -0.630 0.000 0.651 309 V HN 0.602 nan 8.190 nan 0.000 0.450 310 S N 0.162 115.680 115.700 -0.303 0.000 2.453 310 S HA -0.198 4.272 4.470 0.000 0.000 0.231 310 S C 2.055 176.746 174.600 0.152 0.000 1.005 310 S CA 1.185 59.360 58.200 -0.042 0.000 0.949 310 S CB -0.512 62.806 63.200 0.197 0.000 0.774 310 S HN 0.575 nan 8.310 nan 0.000 0.510 311 R N -0.189 120.362 120.500 0.085 0.000 2.096 311 R HA -0.097 4.243 4.340 0.000 0.000 0.235 311 R C 1.782 178.088 176.300 0.009 0.000 1.127 311 R CA 1.565 57.703 56.100 0.063 0.000 0.968 311 R CB -0.395 29.854 30.300 -0.086 0.000 0.861 311 R HN 0.572 nan 8.270 nan 0.000 0.440 312 Y N -0.903 119.339 120.300 -0.096 0.000 2.163 312 Y HA -0.249 4.301 4.550 0.000 0.000 0.288 312 Y C 2.231 178.151 175.900 0.033 0.000 1.136 312 Y CA 1.214 59.266 58.100 -0.079 0.000 1.147 312 Y CB -0.336 38.006 38.460 -0.197 0.000 0.987 312 Y HN 0.133 nan 8.280 nan 0.000 0.509 313 W N -0.726 120.636 121.300 0.104 0.000 2.333 313 W HA -0.230 4.430 4.660 0.000 0.000 0.316 313 W C 2.199 178.675 176.519 -0.071 0.000 1.215 313 W CA 1.022 58.334 57.345 -0.056 0.000 1.278 313 W CB -1.691 27.633 29.460 -0.227 0.000 1.154 313 W HN 0.085 nan 8.180 nan 0.000 0.486 314 F N 0.793 120.884 119.950 0.235 0.000 2.095 314 F HA -0.210 4.317 4.527 0.000 0.000 0.298 314 F C 2.389 178.221 175.800 0.053 0.000 1.104 314 F CA 1.859 59.919 58.000 0.100 0.000 1.232 314 F CB -1.001 38.019 39.000 0.033 0.000 0.987 314 F HN -0.010 nan 8.300 nan 0.000 0.475 315 E N -0.540 119.791 120.200 0.218 0.000 2.072 315 E HA -0.138 4.213 4.350 0.000 0.000 0.190 315 E C 2.381 179.044 176.600 0.104 0.000 0.982 315 E CA 1.496 57.962 56.400 0.111 0.000 0.803 315 E CB -0.332 29.387 29.700 0.031 0.000 0.755 315 E HN 0.419 nan 8.360 nan 0.000 0.453 316 S N 0.845 116.622 115.700 0.128 0.000 2.377 316 S HA -0.033 4.437 4.470 0.000 0.000 0.223 316 S C 2.110 176.770 174.600 0.100 0.000 1.030 316 S CA 0.529 58.799 58.200 0.117 0.000 0.970 316 S CB -0.351 62.938 63.200 0.148 0.000 0.830 316 S HN 0.117 nan 8.310 nan 0.000 0.473 317 L N 0.674 121.962 121.223 0.107 0.000 2.168 317 L HA 0.368 4.708 4.340 0.000 0.000 0.203 317 L C 2.854 179.751 176.870 0.045 0.000 1.078 317 L CA 0.933 55.805 54.840 0.054 0.000 0.780 317 L CB -0.480 41.583 42.059 0.006 0.000 0.939 317 L HN 0.457 nan 8.230 nan 0.000 0.451 318 A N -0.323 122.545 122.820 0.079 0.000 2.267 318 A HA 0.351 4.671 4.320 0.000 0.000 0.213 318 A C 1.696 179.333 177.584 0.087 0.000 1.192 318 A CA 0.563 52.654 52.037 0.090 0.000 0.851 318 A CB -0.283 18.815 19.000 0.163 0.000 0.881 318 A HN 0.450 nan 8.150 nan 0.000 0.494 319 G N -0.094 108.757 108.800 0.086 0.000 2.258 319 G HA2 -0.252 3.708 3.960 0.000 0.000 0.274 319 G HA3 -0.252 3.708 3.960 0.000 0.000 0.274 319 G C 0.033 174.967 174.900 0.058 0.000 1.021 319 G CA 0.682 45.820 45.100 0.064 0.000 0.798 319 G HN 0.538 nan 8.290 nan 0.000 0.507 320 I N 0.825 121.442 120.570 0.079 0.000 2.321 320 I HA 0.262 4.433 4.170 0.000 0.000 0.291 320 I C -1.964 174.137 176.117 -0.027 0.000 0.998 320 I CA -2.534 58.784 61.300 0.030 0.000 1.227 320 I CB 1.640 39.653 38.000 0.021 0.000 1.368 320 I HN -0.163 nan 8.210 nan 0.000 0.466 321 P HA -0.060 nan 4.420 nan 0.000 0.264 321 P C -0.807 176.271 177.300 -0.369 0.000 1.183 321 P CA -0.057 62.967 63.100 -0.126 0.000 0.763 321 P CB 0.414 32.097 31.700 -0.028 0.000 0.807 322 C N 4.107 123.207 119.300 -0.333 0.000 2.642 322 C HA 0.450 4.910 4.460 0.000 0.000 0.344 322 C C -1.541 173.309 174.990 -0.233 0.000 1.110 322 C CA -0.422 58.358 59.018 -0.396 0.000 1.298 322 C CB 0.838 28.458 27.740 -0.199 0.000 1.827 322 C HN 0.493 nan 8.230 nan 0.000 0.467 323 D N 3.371 123.657 120.400 -0.190 0.000 2.481 323 D HA 0.674 5.314 4.640 0.000 0.000 0.244 323 D C -0.911 175.384 176.300 -0.008 0.000 1.057 323 D CA -0.044 53.954 54.000 -0.003 0.000 0.848 323 D CB 2.440 43.336 40.800 0.160 0.000 1.388 323 D HN 0.452 nan 8.370 nan 0.000 0.475 324 V N 1.245 121.174 119.914 0.025 0.000 2.656 324 V HA 0.506 4.626 4.120 0.000 0.000 0.307 324 V C -0.227 175.985 176.094 0.196 0.000 1.051 324 V CA -0.739 61.589 62.300 0.047 0.000 0.893 324 V CB 2.267 34.053 31.823 -0.061 0.000 0.999 324 V HN 0.476 nan 8.190 nan 0.000 0.426 325 E N 2.721 123.055 120.200 0.222 0.000 2.331 325 E HA 0.472 4.822 4.350 0.000 0.000 0.275 325 E C -1.107 175.570 176.600 0.128 0.000 0.895 325 E CA -0.925 55.613 56.400 0.229 0.000 0.753 325 E CB 1.857 31.654 29.700 0.162 0.000 1.216 325 E HN 0.541 nan 8.360 nan 0.000 0.434 326 I N 3.817 124.305 120.570 -0.137 0.000 2.845 326 I HA -0.128 4.042 4.170 0.000 0.000 0.290 326 I C 1.607 177.697 176.117 -0.045 0.000 1.202 326 I CA 0.825 61.959 61.300 -0.276 0.000 1.406 326 I CB -0.484 37.326 38.000 -0.316 0.000 1.383 326 I HN 0.802 nan 8.210 nan 0.000 0.549 327 A N 6.313 129.117 122.820 -0.025 0.000 1.915 327 A HA -0.281 4.039 4.320 0.000 0.000 0.220 327 A C 2.321 179.943 177.584 0.063 0.000 1.198 327 A CA 2.704 54.754 52.037 0.023 0.000 0.647 327 A CB -0.828 18.171 19.000 -0.001 0.000 0.825 327 A HN 0.832 nan 8.150 nan 0.000 0.456 328 S N -0.845 114.883 115.700 0.047 0.000 2.382 328 S HA -0.167 4.303 4.470 0.000 0.000 0.228 328 S C 1.674 176.369 174.600 0.158 0.000 1.027 328 S CA 1.425 59.692 58.200 0.112 0.000 0.991 328 S CB -0.341 62.924 63.200 0.108 0.000 0.823 328 S HN 0.545 nan 8.310 nan 0.000 0.469 329 E N 0.787 121.051 120.200 0.107 0.000 2.072 329 E HA 0.045 4.395 4.350 0.000 0.000 0.190 329 E C 1.650 178.324 176.600 0.123 0.000 0.982 329 E CA 0.681 57.150 56.400 0.116 0.000 0.803 329 E CB -0.541 29.201 29.700 0.071 0.000 0.755 329 E HN 0.692 nan 8.360 nan 0.000 0.453 330 F N 1.970 121.911 119.950 -0.014 0.000 2.186 330 F HA -0.165 4.362 4.527 0.000 0.000 0.299 330 F C 2.449 178.196 175.800 -0.090 0.000 1.090 330 F CA 1.408 59.393 58.000 -0.025 0.000 1.307 330 F CB 0.063 39.054 39.000 -0.015 0.000 1.019 330 F HN -0.093 nan 8.300 nan 0.000 0.489 331 R N -0.396 120.037 120.500 -0.112 0.000 2.120 331 R HA -0.186 4.154 4.340 0.000 0.000 0.234 331 R C 0.823 176.697 176.300 -0.710 0.000 1.123 331 R CA 1.941 57.765 56.100 -0.460 0.000 0.975 331 R CB -0.959 28.972 30.300 -0.616 0.000 0.866 331 R HN 0.414 nan 8.270 nan 0.000 0.446 332 Y N 0.337 120.599 120.300 -0.062 0.000 2.584 332 Y HA 0.317 4.867 4.550 0.000 0.000 0.254 332 Y C -0.106 175.746 175.900 -0.079 0.000 1.177 332 Y CA -0.580 57.486 58.100 -0.057 0.000 1.216 332 Y CB 0.114 38.562 38.460 -0.020 0.000 1.172 332 Y HN 0.034 nan 8.280 nan 0.000 0.529 333 R N -0.253 120.203 120.500 -0.074 0.000 2.732 333 R HA 0.433 4.773 4.340 0.000 0.000 0.278 333 R C -0.341 175.854 176.300 -0.174 0.000 0.976 333 R CA -1.037 55.011 56.100 -0.087 0.000 0.963 333 R CB 1.200 31.468 30.300 -0.053 0.000 1.150 333 R HN -0.238 nan 8.270 nan 0.000 0.478 334 K N 2.796 123.133 120.400 -0.104 0.000 2.262 334 K HA 0.081 4.401 4.320 0.000 0.000 0.288 334 K C -0.823 175.713 176.600 -0.107 0.000 1.090 334 K CA 0.004 56.227 56.287 -0.107 0.000 0.918 334 K CB 0.493 32.958 32.500 -0.058 0.000 1.139 334 K HN 0.817 nan 8.250 nan 0.000 0.462 335 S N 2.118 117.723 115.700 -0.158 0.000 2.687 335 S HA 0.648 5.118 4.470 0.000 0.000 0.283 335 S C -0.136 174.433 174.600 -0.053 0.000 1.170 335 S CA -1.013 57.134 58.200 -0.089 0.000 1.008 335 S CB 1.679 64.834 63.200 -0.074 0.000 1.026 335 S HN 0.516 nan 8.310 nan 0.000 0.541 336 A N 1.694 124.500 122.820 -0.023 0.000 2.289 336 A HA 0.626 4.946 4.320 0.000 0.000 0.298 336 A C -0.084 177.462 177.584 -0.063 0.000 1.208 336 A CA -0.799 51.213 52.037 -0.042 0.000 0.845 336 A CB -0.018 18.964 19.000 -0.030 0.000 1.125 336 A HN 0.862 nan 8.150 nan 0.000 0.517 337 V N 2.668 122.514 119.914 -0.113 0.000 2.686 337 V HA 0.429 4.549 4.120 0.000 0.000 0.295 337 V C 0.392 176.353 176.094 -0.222 0.000 1.057 337 V CA -0.755 61.420 62.300 -0.207 0.000 1.012 337 V CB 1.018 32.637 31.823 -0.340 0.000 1.006 337 V HN 0.928 nan 8.190 nan 0.000 0.477 338 R N 2.115 122.422 120.500 -0.321 0.000 2.457 338 R HA 0.403 4.743 4.340 0.000 0.000 0.284 338 R C 0.327 176.497 176.300 -0.216 0.000 1.024 338 R CA -0.647 55.286 56.100 -0.278 0.000 1.025 338 R CB 0.410 30.454 30.300 -0.425 0.000 1.063 338 R HN 0.618 nan 8.270 nan 0.000 0.493 339 R N 2.438 122.864 120.500 -0.123 0.000 2.640 339 R HA -0.107 4.234 4.340 0.000 0.000 0.270 339 R C -0.473 175.796 176.300 -0.052 0.000 1.024 339 R CA 0.473 56.523 56.100 -0.083 0.000 1.085 339 R CB 0.183 30.454 30.300 -0.048 0.000 0.963 339 R HN 0.674 nan 8.270 nan 0.000 0.426 340 N N 1.329 120.003 118.700 -0.044 0.000 2.714 340 N HA -0.198 4.542 4.740 0.000 0.000 0.253 340 N C -1.208 174.325 175.510 0.038 0.000 1.024 340 N CA 1.186 54.234 53.050 -0.003 0.000 0.726 340 N CB -0.680 37.811 38.487 0.007 0.000 0.908 340 N HN 0.486 nan 8.380 nan 0.000 0.542 341 S N 0.296 116.019 115.700 0.038 0.000 2.462 341 S HA 0.597 5.067 4.470 0.000 0.000 0.294 341 S C -0.253 174.515 174.600 0.280 0.000 1.144 341 S CA -0.844 57.457 58.200 0.168 0.000 1.088 341 S CB 1.181 64.424 63.200 0.071 0.000 1.009 341 S HN 0.334 nan 8.310 nan 0.000 0.484 342 L N 5.935 127.278 121.223 0.199 0.000 2.272 342 L HA 0.690 5.030 4.340 0.000 0.000 0.289 342 L C -0.439 176.428 176.870 -0.004 0.000 1.032 342 L CA -0.389 54.505 54.840 0.091 0.000 0.810 342 L CB 1.204 43.258 42.059 -0.009 0.000 1.205 342 L HN 0.804 nan 8.230 nan 0.000 0.422 343 M N 6.697 126.209 119.600 -0.147 0.000 2.120 343 M HA 0.498 4.978 4.480 0.000 0.000 0.354 343 M C -1.336 174.820 176.300 -0.241 0.000 1.287 343 M CA 0.284 55.347 55.300 -0.395 0.000 1.103 343 M CB 0.188 32.352 32.600 -0.727 0.000 1.623 343 M HN 0.521 nan 8.290 nan 0.000 0.471 344 I N 4.718 125.158 120.570 -0.216 0.000 2.433 344 I HA 0.477 4.647 4.170 0.000 0.000 0.292 344 I C -0.145 175.887 176.117 -0.142 0.000 1.001 344 I CA -0.706 60.507 61.300 -0.144 0.000 1.119 344 I CB 2.109 40.049 38.000 -0.099 0.000 1.289 344 I HN 0.787 nan 8.210 nan 0.000 0.438 345 T N 4.669 119.158 114.554 -0.108 0.000 2.855 345 T HA 0.759 5.109 4.350 0.000 0.000 0.281 345 T C -0.684 173.989 174.700 -0.045 0.000 1.007 345 T CA -0.775 61.273 62.100 -0.086 0.000 1.009 345 T CB 1.502 70.317 68.868 -0.089 0.000 0.983 345 T HN 0.339 nan 8.240 nan 0.000 0.455 346 L N 2.328 123.537 121.223 -0.023 0.000 2.341 346 L HA 0.762 5.102 4.340 0.000 0.000 0.278 346 L C 0.036 176.906 176.870 0.000 0.000 1.005 346 L CA -0.694 54.145 54.840 -0.002 0.000 0.818 346 L CB 2.045 44.117 42.059 0.021 0.000 1.259 346 L HN 0.872 nan 8.230 nan 0.000 0.418 347 S N 1.116 116.813 115.700 -0.005 0.000 2.592 347 S HA 0.133 4.603 4.470 0.000 0.000 0.275 347 S C 0.093 174.683 174.600 -0.016 0.000 1.169 347 S CA -0.483 57.711 58.200 -0.010 0.000 0.958 347 S CB 1.767 64.952 63.200 -0.024 0.000 1.095 347 S HN 0.688 nan 8.310 nan 0.000 0.471 348 Q N 2.767 122.559 119.800 -0.013 0.000 2.123 348 Q HA -0.041 4.299 4.340 0.000 0.000 0.199 348 Q C 1.542 177.509 176.000 -0.056 0.000 0.966 348 Q CA 2.396 58.183 55.803 -0.026 0.000 0.845 348 Q CB -0.213 28.515 28.738 -0.017 0.000 0.907 348 Q HN 0.814 nan 8.270 nan 0.000 0.439 349 S N -2.167 113.499 115.700 -0.057 0.000 2.502 349 S HA 0.232 4.702 4.470 0.000 0.000 0.215 349 S C 1.475 176.034 174.600 -0.067 0.000 1.009 349 S CA 0.651 58.800 58.200 -0.086 0.000 0.908 349 S CB 0.290 63.459 63.200 -0.051 0.000 0.801 349 S HN 0.498 nan 8.310 nan 0.000 0.505 350 G N 1.788 110.559 108.800 -0.047 0.000 2.186 350 G HA2 -0.272 3.688 3.960 0.000 0.000 0.266 350 G HA3 -0.272 3.688 3.960 0.000 0.000 0.266 350 G C 0.482 175.367 174.900 -0.025 0.000 0.982 350 G CA 0.777 45.853 45.100 -0.041 0.000 0.670 350 G HN 0.574 nan 8.290 nan 0.000 0.533 351 E N 0.072 120.268 120.200 -0.006 0.000 2.603 351 E HA 0.101 4.451 4.350 0.000 0.000 0.211 351 E C 0.291 176.890 176.600 -0.001 0.000 0.995 351 E CA 0.123 56.537 56.400 0.023 0.000 0.990 351 E CB 0.491 30.258 29.700 0.111 0.000 1.036 351 E HN 0.387 nan 8.360 nan 0.000 0.475 352 T N 1.536 116.077 114.554 -0.022 0.000 2.738 352 T HA 0.265 4.615 4.350 0.000 0.000 0.293 352 T C 1.391 176.074 174.700 -0.029 0.000 0.913 352 T CA 0.239 62.315 62.100 -0.040 0.000 1.103 352 T CB 1.443 70.285 68.868 -0.044 0.000 0.880 352 T HN 0.100 nan 8.240 nan 0.000 0.526 353 A N 3.897 126.701 122.820 -0.027 0.000 1.873 353 A HA -0.174 4.146 4.320 0.000 0.000 0.218 353 A C 2.124 179.713 177.584 0.007 0.000 1.193 353 A CA 1.601 53.636 52.037 -0.004 0.000 0.629 353 A CB -0.450 18.556 19.000 0.011 0.000 0.826 353 A HN 0.752 nan 8.150 nan 0.000 0.447 354 D N -0.550 119.856 120.400 0.011 0.000 2.104 354 D HA -0.119 4.521 4.640 0.000 0.000 0.194 354 D C 2.060 178.360 176.300 -0.000 0.000 0.994 354 D CA 1.999 56.012 54.000 0.022 0.000 0.830 354 D CB -0.903 39.913 40.800 0.026 0.000 0.959 354 D HN 0.443 nan 8.370 nan 0.000 0.452 355 T N 1.768 116.313 114.554 -0.014 0.000 2.708 355 T HA -0.110 4.240 4.350 0.000 0.000 0.266 355 T C 1.956 176.637 174.700 -0.032 0.000 1.037 355 T CA 0.371 62.456 62.100 -0.026 0.000 1.146 355 T CB -0.168 68.682 68.868 -0.030 0.000 0.865 355 T HN 0.015 nan 8.240 nan 0.000 0.435 356 L N 1.286 122.493 121.223 -0.027 0.000 1.989 356 L HA -0.074 4.266 4.340 0.000 0.000 0.211 356 L C 2.966 179.822 176.870 -0.024 0.000 1.071 356 L CA 2.072 56.895 54.840 -0.029 0.000 0.749 356 L CB -1.813 40.232 42.059 -0.022 0.000 0.890 356 L HN 0.275 nan 8.230 nan 0.000 0.431 357 A N -0.288 122.522 122.820 -0.016 0.000 1.883 357 A HA -0.157 4.163 4.320 0.000 0.000 0.217 357 A C 2.455 180.022 177.584 -0.029 0.000 1.186 357 A CA 1.883 53.905 52.037 -0.024 0.000 0.624 357 A CB -1.301 17.685 19.000 -0.023 0.000 0.822 357 A HN 0.451 nan 8.150 nan 0.000 0.444 358 G N -0.001 108.795 108.800 -0.007 0.000 2.529 358 G HA2 -0.279 3.681 3.960 0.000 0.000 0.219 358 G HA3 -0.279 3.681 3.960 0.000 0.000 0.219 358 G C 1.534 176.452 174.900 0.031 0.000 1.177 358 G CA 1.456 46.593 45.100 0.060 0.000 0.773 358 G HN 0.692 nan 8.290 nan 0.000 0.573 359 L N 0.180 121.381 121.223 -0.036 0.000 2.131 359 L HA 0.113 4.453 4.340 0.000 0.000 0.210 359 L C 2.826 179.680 176.870 -0.027 0.000 1.092 359 L CA 1.741 56.544 54.840 -0.062 0.000 0.759 359 L CB -0.337 41.675 42.059 -0.077 0.000 0.903 359 L HN 0.142 nan 8.230 nan 0.000 0.435 360 R N -1.019 119.472 120.500 -0.015 0.000 2.073 360 R HA -0.105 4.235 4.340 0.000 0.000 0.229 360 R C 2.180 178.489 176.300 0.014 0.000 1.120 360 R CA 1.474 57.570 56.100 -0.006 0.000 0.967 360 R CB -0.615 29.679 30.300 -0.011 0.000 0.862 360 R HN 0.341 nan 8.270 nan 0.000 0.436 361 L N 1.031 122.266 121.223 0.020 0.000 2.043 361 L HA -0.229 4.111 4.340 0.000 0.000 0.212 361 L C 2.223 179.156 176.870 0.105 0.000 1.075 361 L CA 2.297 57.158 54.840 0.036 0.000 0.752 361 L CB -0.734 41.326 42.059 0.002 0.000 0.891 361 L HN 0.241 nan 8.230 nan 0.000 0.432 362 S N -0.717 115.069 115.700 0.143 0.000 2.402 362 S HA -0.293 4.177 4.470 0.000 0.000 0.233 362 S C 1.906 176.619 174.600 0.190 0.000 1.030 362 S CA 1.630 59.943 58.200 0.189 0.000 1.003 362 S CB -0.739 62.417 63.200 -0.073 0.000 0.813 362 S HN 0.659 nan 8.310 nan 0.000 0.477 363 K N 0.883 121.339 120.400 0.095 0.000 2.283 363 K HA 0.020 4.340 4.320 0.000 0.000 0.202 363 K C 1.767 178.415 176.600 0.079 0.000 1.048 363 K CA 1.138 57.473 56.287 0.080 0.000 0.948 363 K CB -0.099 32.423 32.500 0.037 0.000 0.742 363 K HN 0.484 nan 8.250 nan 0.000 0.458 364 E N 0.758 121.004 120.200 0.075 0.000 2.435 364 E HA -0.027 4.323 4.350 0.000 0.000 0.195 364 E C 1.622 178.256 176.600 0.056 0.000 1.029 364 E CA 0.573 57.004 56.400 0.051 0.000 0.865 364 E CB 0.062 29.780 29.700 0.031 0.000 0.833 364 E HN 0.356 nan 8.360 nan 0.000 0.510 365 L N -0.249 121.040 121.223 0.110 0.000 2.567 365 L HA 0.245 4.585 4.340 0.000 0.000 0.225 365 L C 1.046 177.900 176.870 -0.026 0.000 1.119 365 L CA 0.328 55.211 54.840 0.071 0.000 0.871 365 L CB -0.085 42.078 42.059 0.174 0.000 1.036 365 L HN 0.155 nan 8.230 nan 0.000 0.459 366 G N -0.197 108.628 108.800 0.040 0.000 2.248 366 G HA2 -0.299 3.661 3.960 0.000 0.000 0.263 366 G HA3 -0.299 3.661 3.960 0.000 0.000 0.263 366 G C -0.132 174.720 174.900 -0.079 0.000 1.082 366 G CA -0.391 44.700 45.100 -0.015 0.000 0.863 366 G HN 0.194 nan 8.290 nan 0.000 0.495 367 Y N -0.994 119.308 120.300 0.003 0.000 2.385 367 Y HA 0.348 4.898 4.550 0.000 0.000 0.346 367 Y C 2.198 178.094 175.900 -0.007 0.000 1.270 367 Y CA 0.055 58.154 58.100 -0.003 0.000 1.472 367 Y CB 0.398 38.857 38.460 -0.002 0.000 1.354 367 Y HN 0.065 nan 8.280 nan 0.000 0.611 368 L N 0.970 122.291 121.223 0.163 0.000 2.275 368 L HA 0.026 4.366 4.340 0.000 0.000 0.215 368 L C 1.073 177.987 176.870 0.073 0.000 1.119 368 L CA 1.261 56.151 54.840 0.084 0.000 0.790 368 L CB -0.611 41.484 42.059 0.060 0.000 0.919 368 L HN 0.908 nan 8.230 nan 0.000 0.443 369 G N -1.433 107.422 108.800 0.092 0.000 2.324 369 G HA2 0.273 4.233 3.960 0.000 0.000 0.293 369 G HA3 0.273 4.233 3.960 0.000 0.000 0.293 369 G C -1.545 173.354 174.900 -0.002 0.000 1.297 369 G CA -0.090 45.033 45.100 0.039 0.000 0.853 369 G HN -0.027 nan 8.290 nan 0.000 0.535 370 S N -0.910 114.769 115.700 -0.033 0.000 2.733 370 S HA 0.664 5.134 4.470 0.000 0.000 0.294 370 S C -1.016 173.546 174.600 -0.063 0.000 1.149 370 S CA -0.634 57.519 58.200 -0.078 0.000 1.034 370 S CB 1.615 64.760 63.200 -0.092 0.000 1.015 370 S HN 1.724 nan 8.310 nan 0.000 0.486 371 L N 3.226 124.407 121.223 -0.070 0.000 2.317 371 L HA 0.922 5.262 4.340 0.000 0.000 0.281 371 L C -0.330 176.505 176.870 -0.059 0.000 1.024 371 L CA -0.421 54.388 54.840 -0.052 0.000 0.810 371 L CB 1.449 43.486 42.059 -0.036 0.000 1.240 371 L HN 0.954 nan 8.230 nan 0.000 0.427 372 A N 6.262 129.053 122.820 -0.048 0.000 2.303 372 A HA 0.672 4.993 4.320 0.000 0.000 0.320 372 A C -0.559 177.006 177.584 -0.031 0.000 1.192 372 A CA -0.496 51.513 52.037 -0.046 0.000 0.821 372 A CB 0.371 19.340 19.000 -0.051 0.000 1.188 372 A HN 0.712 nan 8.150 nan 0.000 0.492 373 I N 2.786 123.342 120.570 -0.024 0.000 2.310 373 I HA 0.226 4.396 4.170 0.000 0.000 0.287 373 I C -0.177 175.928 176.117 -0.019 0.000 1.073 373 I CA -0.122 61.169 61.300 -0.015 0.000 1.216 373 I CB 0.445 38.446 38.000 0.001 0.000 1.415 373 I HN 0.615 nan 8.210 nan 0.000 0.480 374 C N 4.826 124.111 119.300 -0.026 0.000 2.719 374 C HA 0.406 4.866 4.460 0.000 0.000 0.327 374 C C 1.218 176.188 174.990 -0.032 0.000 1.238 374 C CA -0.407 58.593 59.018 -0.031 0.000 1.727 374 C CB 1.807 29.523 27.740 -0.040 0.000 2.256 374 C HN 0.807 nan 8.230 nan 0.000 0.489 375 N N 0.549 119.225 118.700 -0.039 0.000 2.203 375 N HA 0.278 5.018 4.740 0.000 0.000 0.207 375 N C -0.997 174.478 175.510 -0.057 0.000 1.130 375 N CA 0.318 53.341 53.050 -0.043 0.000 0.861 375 N CB 0.442 38.904 38.487 -0.042 0.000 1.005 375 N HN 0.434 nan 8.380 nan 0.000 0.507 376 V N 2.813 122.690 119.914 -0.062 0.000 2.398 376 V HA 0.414 4.534 4.120 0.000 0.000 0.282 376 V C -2.301 173.760 176.094 -0.055 0.000 1.014 376 V CA -1.640 60.616 62.300 -0.073 0.000 0.838 376 V CB 1.609 33.367 31.823 -0.108 0.000 1.018 376 V HN 0.053 nan 8.190 nan 0.000 0.432 377 P HA 0.107 nan 4.420 nan 0.000 0.267 377 P C 1.043 178.326 177.300 -0.029 0.000 1.200 377 P CA 1.135 64.217 63.100 -0.029 0.000 0.772 377 P CB 0.750 32.442 31.700 -0.015 0.000 0.855 378 G N 1.622 110.402 108.800 -0.033 0.000 2.233 378 G HA2 -0.260 3.700 3.960 0.000 0.000 0.270 378 G HA3 -0.260 3.700 3.960 0.000 0.000 0.270 378 G C 0.361 175.227 174.900 -0.056 0.000 1.011 378 G CA 0.559 45.635 45.100 -0.040 0.000 0.762 378 G HN 0.866 nan 8.290 nan 0.000 0.511 379 S N -1.035 114.628 115.700 -0.061 0.000 2.632 379 S HA 0.655 5.125 4.470 0.000 0.000 0.267 379 S C 1.604 176.155 174.600 -0.081 0.000 1.276 379 S CA 0.478 58.644 58.200 -0.057 0.000 0.998 379 S CB 1.694 64.862 63.200 -0.054 0.000 0.953 379 S HN 0.531 nan 8.310 nan 0.000 0.547 380 S N 0.727 116.390 115.700 -0.062 0.000 2.372 380 S HA -0.140 4.330 4.470 0.000 0.000 0.227 380 S C 1.774 176.321 174.600 -0.088 0.000 1.044 380 S CA 1.279 59.431 58.200 -0.079 0.000 1.050 380 S CB -0.683 62.495 63.200 -0.037 0.000 0.901 380 S HN 0.604 nan 8.310 nan 0.000 0.447 381 L N 1.886 123.069 121.223 -0.066 0.000 1.970 381 L HA -0.081 4.259 4.340 0.000 0.000 0.212 381 L C 2.405 179.231 176.870 -0.073 0.000 1.071 381 L CA 1.772 56.573 54.840 -0.064 0.000 0.751 381 L CB -1.481 40.546 42.059 -0.053 0.000 0.889 381 L HN 0.212 nan 8.230 nan 0.000 0.432 382 V N 0.039 119.909 119.914 -0.074 0.000 2.332 382 V HA -0.303 3.817 4.120 0.000 0.000 0.248 382 V C 2.688 178.725 176.094 -0.094 0.000 1.055 382 V CA 1.867 64.122 62.300 -0.074 0.000 1.038 382 V CB -0.723 31.060 31.823 -0.066 0.000 0.651 382 V HN 0.449 nan 8.190 nan 0.000 0.450 383 R N 0.094 120.514 120.500 -0.133 0.000 2.081 383 R HA -0.146 4.194 4.340 0.000 0.000 0.235 383 R C 2.148 178.367 176.300 -0.135 0.000 1.131 383 R CA 1.601 57.595 56.100 -0.176 0.000 0.960 383 R CB -0.296 29.811 30.300 -0.321 0.000 0.856 383 R HN 0.576 nan 8.270 nan 0.000 0.436 384 E N 0.296 120.425 120.200 -0.118 0.000 2.502 384 E HA 0.039 4.389 4.350 0.000 0.000 0.194 384 E C -0.298 176.261 176.600 -0.069 0.000 1.062 384 E CA 0.056 56.402 56.400 -0.090 0.000 0.867 384 E CB 0.461 30.113 29.700 -0.081 0.000 0.888 384 E HN 0.152 nan 8.360 nan 0.000 0.510 385 S N 0.416 116.075 115.700 -0.069 0.000 2.578 385 S HA 0.126 4.596 4.470 0.000 0.000 0.301 385 S C 0.372 174.943 174.600 -0.049 0.000 1.091 385 S CA -0.908 57.257 58.200 -0.059 0.000 1.032 385 S CB 1.569 64.731 63.200 -0.063 0.000 1.064 385 S HN 0.054 nan 8.310 nan 0.000 0.508 386 D N 0.620 120.996 120.400 -0.040 0.000 2.144 386 D HA 0.022 4.662 4.640 0.000 0.000 0.199 386 D C 0.201 176.485 176.300 -0.028 0.000 0.984 386 D CA 1.311 55.293 54.000 -0.029 0.000 0.834 386 D CB 0.129 40.917 40.800 -0.019 0.000 0.955 386 D HN 0.278 nan 8.370 nan 0.000 0.465 387 L N -0.563 120.641 121.223 -0.031 0.000 2.445 387 L HA 0.607 4.947 4.340 0.000 0.000 0.262 387 L C -1.185 175.666 176.870 -0.031 0.000 0.974 387 L CA -0.809 54.015 54.840 -0.027 0.000 0.822 387 L CB 2.561 44.607 42.059 -0.022 0.000 1.339 387 L HN -0.184 nan 8.230 nan 0.000 0.409 388 A N 3.284 126.088 122.820 -0.027 0.000 2.520 388 A HA 0.819 5.139 4.320 0.000 0.000 0.298 388 A C -1.604 175.967 177.584 -0.021 0.000 1.051 388 A CA -0.390 51.630 52.037 -0.027 0.000 0.690 388 A CB 1.799 20.779 19.000 -0.033 0.000 1.281 388 A HN 0.624 nan 8.150 nan 0.000 0.402 389 L N 3.433 124.645 121.223 -0.019 0.000 2.345 389 L HA 0.360 4.700 4.340 0.000 0.000 0.274 389 L C -0.650 176.208 176.870 -0.019 0.000 0.999 389 L CA -0.625 54.206 54.840 -0.016 0.000 0.849 389 L CB 1.519 43.572 42.059 -0.010 0.000 1.220 389 L HN 0.657 nan 8.230 nan 0.000 0.422 390 M N 1.843 121.431 119.600 -0.021 0.000 2.188 390 M HA 0.114 4.594 4.480 0.000 0.000 0.354 390 M C 1.539 177.826 176.300 -0.022 0.000 1.342 390 M CA -0.060 55.227 55.300 -0.023 0.000 1.117 390 M CB 0.724 33.310 32.600 -0.023 0.000 1.670 390 M HN 0.593 nan 8.290 nan 0.000 0.466 391 T N -0.727 113.813 114.554 -0.023 0.000 2.915 391 T HA -0.100 4.250 4.350 0.000 0.000 0.269 391 T C 0.728 175.414 174.700 -0.023 0.000 1.071 391 T CA 0.828 62.914 62.100 -0.023 0.000 1.132 391 T CB -0.233 68.622 68.868 -0.021 0.000 0.878 391 T HN 0.703 nan 8.240 nan 0.000 0.479 392 N N 0.659 119.344 118.700 -0.024 0.000 2.754 392 N HA -0.159 4.581 4.740 0.000 0.000 0.248 392 N C 0.674 176.172 175.510 -0.021 0.000 1.093 392 N CA 0.776 53.812 53.050 -0.022 0.000 0.699 392 N CB -1.508 36.968 38.487 -0.019 0.000 1.016 392 N HN 0.746 nan 8.380 nan 0.000 0.552 393 A N -0.164 122.642 122.820 -0.024 0.000 2.218 393 A HA 0.503 4.823 4.320 0.000 0.000 0.209 393 A C 1.354 178.924 177.584 -0.023 0.000 1.168 393 A CA 1.298 53.323 52.037 -0.020 0.000 0.804 393 A CB -0.010 18.980 19.000 -0.017 0.000 0.834 393 A HN 1.391 nan 8.150 nan 0.000 0.482 394 G N -0.441 108.340 108.800 -0.032 0.000 2.716 394 G HA2 0.060 4.020 3.960 0.000 0.000 0.686 394 G HA3 0.060 4.020 3.960 0.000 0.000 0.686 394 G C -0.006 174.861 174.900 -0.055 0.000 1.337 394 G CA -0.340 44.735 45.100 -0.041 0.000 0.829 394 G HN 1.452 nan 8.290 nan 0.000 0.599 395 T N -1.196 113.310 114.554 -0.080 0.000 2.946 395 T HA 0.391 4.741 4.350 0.000 0.000 0.312 395 T C 0.317 174.963 174.700 -0.089 0.000 1.066 395 T CA 0.797 62.834 62.100 -0.106 0.000 1.138 395 T CB 1.745 70.524 68.868 -0.148 0.000 1.014 395 T HN 0.861 nan 8.240 nan 0.000 0.544 396 E N 1.801 121.945 120.200 -0.095 0.000 2.187 396 E HA 0.374 4.724 4.350 0.000 0.000 0.268 396 E C 0.269 176.806 176.600 -0.104 0.000 0.896 396 E CA -0.943 55.414 56.400 -0.072 0.000 0.766 396 E CB 0.843 30.515 29.700 -0.047 0.000 1.142 396 E HN 0.562 nan 8.360 nan 0.000 0.408 397 I N 2.499 122.987 120.570 -0.137 0.000 3.039 397 I HA 0.122 4.292 4.170 0.000 0.000 0.270 397 I C 1.314 177.360 176.117 -0.118 0.000 1.150 397 I CA 0.531 61.683 61.300 -0.246 0.000 1.448 397 I CB -0.814 36.748 38.000 -0.730 0.000 1.197 397 I HN 0.625 nan 8.210 nan 0.000 0.450 398 G N 1.445 110.231 108.800 -0.024 0.000 2.225 398 G HA2 0.207 4.167 3.960 0.000 0.000 0.245 398 G HA3 0.207 4.167 3.960 0.000 0.000 0.245 398 G C 1.223 176.146 174.900 0.038 0.000 1.249 398 G CA -0.129 45.003 45.100 0.054 0.000 0.919 398 G HN 0.053 nan 8.290 nan 0.000 0.486 399 V N 3.207 123.164 119.914 0.073 0.000 2.317 399 V HA -0.210 3.910 4.120 0.000 0.000 0.251 399 V C 2.311 178.419 176.094 0.024 0.000 1.065 399 V CA 2.104 64.447 62.300 0.073 0.000 1.049 399 V CB -0.958 30.945 31.823 0.134 0.000 0.651 399 V HN 0.929 nan 8.190 nan 0.000 0.450 400 A N 0.602 123.430 122.820 0.014 0.000 2.347 400 A HA 0.418 4.738 4.320 0.000 0.000 0.287 400 A C 0.635 178.196 177.584 -0.037 0.000 1.199 400 A CA 0.371 52.392 52.037 -0.027 0.000 0.851 400 A CB 0.208 19.184 19.000 -0.040 0.000 1.118 400 A HN 0.406 nan 8.150 nan 0.000 0.525 401 S N 2.744 118.414 115.700 -0.051 0.000 2.525 401 S HA 0.280 4.750 4.470 0.000 0.000 0.285 401 S C 1.213 175.791 174.600 -0.037 0.000 1.283 401 S CA 0.408 58.588 58.200 -0.033 0.000 1.072 401 S CB 0.127 63.316 63.200 -0.017 0.000 0.867 401 S HN 1.078 nan 8.310 nan 0.000 0.492 402 T N 3.065 117.613 114.554 -0.009 0.000 3.478 402 T HA 0.182 4.532 4.350 0.000 0.000 0.223 402 T C 1.626 176.357 174.700 0.052 0.000 0.958 402 T CA 0.183 62.282 62.100 -0.002 0.000 1.324 402 T CB -0.634 68.202 68.868 -0.054 0.000 1.262 402 T HN 0.674 nan 8.240 nan 0.000 0.379 403 K N 2.227 122.636 120.400 0.015 0.000 2.147 403 K HA 0.226 4.546 4.320 0.000 0.000 0.205 403 K C 2.522 179.143 176.600 0.035 0.000 1.049 403 K CA 1.213 57.510 56.287 0.016 0.000 0.936 403 K CB -0.692 31.804 32.500 -0.006 0.000 0.722 403 K HN 0.378 nan 8.250 nan 0.000 0.446 404 A N 1.388 124.234 122.820 0.043 0.000 1.940 404 A HA -0.151 4.170 4.320 0.000 0.000 0.219 404 A C 2.005 179.651 177.584 0.102 0.000 1.176 404 A CA 1.340 53.406 52.037 0.048 0.000 0.631 404 A CB -0.753 18.268 19.000 0.035 0.000 0.814 404 A HN 0.486 nan 8.150 nan 0.000 0.446 405 F N 1.946 121.875 119.950 -0.034 0.000 2.113 405 F HA -0.155 4.372 4.527 0.000 0.000 0.297 405 F C 2.713 178.507 175.800 -0.009 0.000 1.103 405 F CA 2.383 60.366 58.000 -0.029 0.000 1.248 405 F CB -0.808 38.166 39.000 -0.044 0.000 0.999 405 F HN 0.326 nan 8.300 nan 0.000 0.475 406 T N -2.235 112.307 114.554 -0.019 0.000 2.777 406 T HA -0.191 4.159 4.350 0.000 0.000 0.266 406 T C 2.052 176.693 174.700 -0.099 0.000 1.040 406 T CA 1.834 63.862 62.100 -0.121 0.000 1.141 406 T CB -1.556 67.305 68.868 -0.013 0.000 0.868 406 T HN 0.473 nan 8.240 nan 0.000 0.444 407 T N 1.114 115.639 114.554 -0.049 0.000 2.708 407 T HA -0.203 4.147 4.350 0.000 0.000 0.266 407 T C 2.110 176.779 174.700 -0.051 0.000 1.037 407 T CA 1.283 63.358 62.100 -0.042 0.000 1.146 407 T CB -0.758 68.096 68.868 -0.024 0.000 0.865 407 T HN 0.487 nan 8.240 nan 0.000 0.435 408 Q N 0.899 120.667 119.800 -0.054 0.000 2.112 408 Q HA -0.046 4.294 4.340 0.000 0.000 0.206 408 Q C 2.522 178.480 176.000 -0.070 0.000 0.987 408 Q CA 1.616 57.388 55.803 -0.052 0.000 0.858 408 Q CB -0.557 28.158 28.738 -0.039 0.000 0.905 408 Q HN 0.531 nan 8.270 nan 0.000 0.420 409 L N -0.005 121.130 121.223 -0.147 0.000 2.056 409 L HA -0.169 4.171 4.340 0.000 0.000 0.207 409 L C 2.493 179.365 176.870 0.003 0.000 1.078 409 L CA 1.217 56.028 54.840 -0.049 0.000 0.749 409 L CB -0.709 41.257 42.059 -0.156 0.000 0.901 409 L HN 0.260 nan 8.230 nan 0.000 0.433 410 T N -0.320 114.199 114.554 -0.058 0.000 2.624 410 T HA -0.218 4.132 4.350 0.000 0.000 0.268 410 T C 1.953 176.599 174.700 -0.089 0.000 1.041 410 T CA 1.752 63.802 62.100 -0.083 0.000 1.159 410 T CB -0.359 68.471 68.868 -0.064 0.000 0.863 410 T HN 0.072 nan 8.240 nan 0.000 0.434 411 V N 1.230 121.112 119.914 -0.055 0.000 2.343 411 V HA -0.107 4.013 4.120 0.000 0.000 0.247 411 V C 2.507 178.582 176.094 -0.032 0.000 1.051 411 V CA 1.393 63.669 62.300 -0.040 0.000 1.036 411 V CB -0.691 31.121 31.823 -0.019 0.000 0.654 411 V HN 0.417 nan 8.190 nan 0.000 0.451 412 L N -0.946 120.276 121.223 -0.002 0.000 2.042 412 L HA -0.209 4.131 4.340 0.000 0.000 0.210 412 L C 2.427 179.220 176.870 -0.128 0.000 1.076 412 L CA 1.313 56.174 54.840 0.034 0.000 0.749 412 L CB -0.491 41.648 42.059 0.134 0.000 0.893 412 L HN 0.323 nan 8.230 nan 0.000 0.432 413 L N -0.783 120.301 121.223 -0.232 0.000 2.093 413 L HA -0.197 4.143 4.340 0.000 0.000 0.208 413 L C 2.421 179.089 176.870 -0.336 0.000 1.085 413 L CA 1.662 56.202 54.840 -0.500 0.000 0.755 413 L CB -0.307 41.305 42.059 -0.745 0.000 0.904 413 L HN 0.183 nan 8.230 nan 0.000 0.435 414 M N -1.859 117.615 119.600 -0.210 0.000 2.117 414 M HA -0.216 4.264 4.480 0.000 0.000 0.262 414 M C 2.135 178.373 176.300 -0.104 0.000 1.065 414 M CA 1.530 56.741 55.300 -0.147 0.000 1.114 414 M CB -0.500 32.041 32.600 -0.100 0.000 1.361 414 M HN 0.320 nan 8.290 nan 0.000 0.408 415 L N 0.282 121.472 121.223 -0.056 0.000 2.042 415 L HA -0.138 4.202 4.340 0.000 0.000 0.210 415 L C 2.178 179.075 176.870 0.045 0.000 1.076 415 L CA 1.572 56.439 54.840 0.045 0.000 0.749 415 L CB -0.600 41.561 42.059 0.170 0.000 0.893 415 L HN 0.025 nan 8.230 nan 0.000 0.432 416 V N 0.023 119.833 119.914 -0.174 0.000 2.255 416 V HA -0.326 3.794 4.120 0.000 0.000 0.247 416 V C 2.807 178.828 176.094 -0.122 0.000 1.051 416 V CA 1.762 63.902 62.300 -0.267 0.000 1.018 416 V CB -1.490 30.008 31.823 -0.542 0.000 0.641 416 V HN 0.615 nan 8.190 nan 0.000 0.445 417 A N 0.110 122.827 122.820 -0.172 0.000 1.892 417 A HA -0.323 3.997 4.320 0.000 0.000 0.218 417 A C 2.229 179.764 177.584 -0.081 0.000 1.188 417 A CA 2.574 54.529 52.037 -0.136 0.000 0.631 417 A CB -0.607 18.292 19.000 -0.168 0.000 0.822 417 A HN 0.473 nan 8.150 nan 0.000 0.447 418 K N 0.121 120.487 120.400 -0.056 0.000 2.063 418 K HA -0.075 4.245 4.320 0.000 0.000 0.208 418 K C 1.707 178.306 176.600 -0.001 0.000 1.048 418 K CA 1.786 58.055 56.287 -0.029 0.000 0.928 418 K CB -0.673 31.820 32.500 -0.012 0.000 0.713 418 K HN 0.502 nan 8.250 nan 0.000 0.442 419 L N 0.581 121.829 121.223 0.043 0.000 2.109 419 L HA -0.119 4.221 4.340 0.000 0.000 0.207 419 L C 2.458 179.351 176.870 0.037 0.000 1.086 419 L CA 1.262 56.139 54.840 0.062 0.000 0.760 419 L CB -0.847 41.290 42.059 0.130 0.000 0.910 419 L HN 0.290 nan 8.230 nan 0.000 0.437 420 S N 0.196 115.908 115.700 0.020 0.000 2.353 420 S HA -0.272 4.198 4.470 0.000 0.000 0.222 420 S C 2.202 176.793 174.600 -0.015 0.000 1.035 420 S CA 1.077 59.278 58.200 0.002 0.000 1.025 420 S CB -0.491 62.694 63.200 -0.025 0.000 0.902 420 S HN 0.336 nan 8.310 nan 0.000 0.440 421 R N 0.638 121.117 120.500 -0.035 0.000 2.096 421 R HA 0.080 4.420 4.340 0.000 0.000 0.235 421 R C 2.405 178.690 176.300 -0.024 0.000 1.127 421 R CA 1.447 57.521 56.100 -0.042 0.000 0.968 421 R CB -0.566 29.694 30.300 -0.067 0.000 0.861 421 R HN 0.506 nan 8.270 nan 0.000 0.440 422 L N 0.172 121.388 121.223 -0.012 0.000 2.141 422 L HA -0.142 4.198 4.340 0.000 0.000 0.209 422 L C 2.114 178.984 176.870 -0.000 0.000 1.094 422 L CA 1.260 56.097 54.840 -0.005 0.000 0.763 422 L CB -0.259 41.801 42.059 0.002 0.000 0.908 422 L HN 0.095 nan 8.230 nan 0.000 0.437 423 K N 0.094 120.497 120.400 0.005 0.000 2.486 423 K HA 0.031 4.351 4.320 0.000 0.000 0.194 423 K C 1.034 177.636 176.600 0.003 0.000 1.033 423 K CA 0.567 56.858 56.287 0.008 0.000 1.004 423 K CB 0.065 32.575 32.500 0.017 0.000 0.798 423 K HN 0.417 nan 8.250 nan 0.000 0.495 424 G N 1.827 110.625 108.800 -0.004 0.000 2.198 424 G HA2 -0.258 3.702 3.960 0.000 0.000 0.257 424 G HA3 -0.258 3.702 3.960 0.000 0.000 0.257 424 G C 0.079 174.975 174.900 -0.006 0.000 1.042 424 G CA -0.053 45.043 45.100 -0.007 0.000 0.791 424 G HN 0.142 nan 8.290 nan 0.000 0.502 425 L N -0.370 120.849 121.223 -0.007 0.000 2.475 425 L HA 0.301 4.641 4.340 0.000 0.000 0.250 425 L C 1.241 178.104 176.870 -0.011 0.000 1.224 425 L CA -0.643 54.194 54.840 -0.004 0.000 0.821 425 L CB 0.202 42.261 42.059 -0.001 0.000 1.141 425 L HN 0.210 nan 8.230 nan 0.000 0.494 426 D N 0.065 120.462 120.400 -0.005 0.000 2.506 426 D HA -0.038 4.602 4.640 0.000 0.000 0.234 426 D C 0.437 176.725 176.300 -0.019 0.000 1.143 426 D CA 0.321 54.319 54.000 -0.003 0.000 0.871 426 D CB 1.406 42.211 40.800 0.008 0.000 1.190 426 D HN 0.620 nan 8.370 nan 0.000 0.459 427 A N 3.013 125.821 122.820 -0.020 0.000 2.209 427 A HA -0.099 4.221 4.320 0.000 0.000 0.212 427 A C 2.107 179.662 177.584 -0.047 0.000 1.158 427 A CA 1.089 53.079 52.037 -0.078 0.000 0.742 427 A CB -0.173 18.769 19.000 -0.096 0.000 0.790 427 A HN 0.556 nan 8.150 nan 0.000 0.472 428 S N 0.028 115.760 115.700 0.053 0.000 2.402 428 S HA -0.112 4.358 4.470 0.000 0.000 0.229 428 S C 1.825 176.453 174.600 0.046 0.000 1.021 428 S CA 1.171 59.440 58.200 0.114 0.000 0.974 428 S CB -0.572 62.677 63.200 0.082 0.000 0.800 428 S HN 0.509 nan 8.310 nan 0.000 0.484 429 I N 1.620 122.183 120.570 -0.011 0.000 2.099 429 I HA -0.201 3.969 4.170 0.000 0.000 0.239 429 I C 2.789 178.852 176.117 -0.089 0.000 1.066 429 I CA 2.072 63.346 61.300 -0.044 0.000 1.324 429 I CB -0.533 37.440 38.000 -0.045 0.000 1.037 429 I HN 0.454 nan 8.210 nan 0.000 0.401 430 E N 0.250 120.368 120.200 -0.137 0.000 2.085 430 E HA -0.288 4.062 4.350 0.000 0.000 0.194 430 E C 2.289 178.759 176.600 -0.216 0.000 0.994 430 E CA 1.422 57.703 56.400 -0.198 0.000 0.801 430 E CB -0.031 29.521 29.700 -0.247 0.000 0.743 430 E HN 0.491 nan 8.360 nan 0.000 0.453 431 H N 1.122 120.088 119.070 -0.173 0.000 2.265 431 H HA -0.158 4.398 4.556 0.000 0.000 0.293 431 H C 1.887 177.058 175.328 -0.261 0.000 1.089 431 H CA 1.837 57.720 56.048 -0.276 0.000 1.244 431 H CB -0.366 29.297 29.762 -0.166 0.000 1.355 431 H HN 0.349 nan 8.280 nan 0.000 0.485 432 D N 0.266 120.687 120.400 0.036 0.000 2.144 432 D HA -0.085 4.555 4.640 0.000 0.000 0.200 432 D C 2.508 178.779 176.300 -0.047 0.000 0.978 432 D CA 0.479 54.499 54.000 0.034 0.000 0.833 432 D CB -0.259 40.553 40.800 0.019 0.000 0.961 432 D HN 0.363 nan 8.370 nan 0.000 0.470 433 I N 0.752 121.250 120.570 -0.120 0.000 2.142 433 I HA -0.244 3.926 4.170 0.000 0.000 0.240 433 I C 2.524 178.545 176.117 -0.160 0.000 1.078 433 I CA 0.780 61.965 61.300 -0.192 0.000 1.343 433 I CB -0.249 37.600 38.000 -0.253 0.000 1.046 433 I HN -0.122 nan 8.210 nan 0.000 0.405 434 V N 0.332 120.150 119.914 -0.159 0.000 2.295 434 V HA -0.308 3.812 4.120 0.000 0.000 0.246 434 V C 2.527 178.588 176.094 -0.055 0.000 1.049 434 V CA 1.896 64.112 62.300 -0.139 0.000 1.024 434 V CB -0.973 30.737 31.823 -0.188 0.000 0.648 434 V HN 0.406 nan 8.190 nan 0.000 0.447 435 H N 0.563 119.617 119.070 -0.026 0.000 2.352 435 H HA -0.104 4.452 4.556 0.000 0.000 0.299 435 H C 2.402 177.699 175.328 -0.051 0.000 1.097 435 H CA 1.668 57.699 56.048 -0.029 0.000 1.311 435 H CB -0.914 28.835 29.762 -0.022 0.000 1.377 435 H HN 0.462 nan 8.280 nan 0.000 0.504 436 G N 0.583 109.413 108.800 0.051 0.000 2.421 436 G HA2 -0.179 3.781 3.960 0.000 0.000 0.216 436 G HA3 -0.179 3.781 3.960 0.000 0.000 0.216 436 G C 1.999 176.875 174.900 -0.039 0.000 1.171 436 G CA 0.603 45.692 45.100 -0.019 0.000 0.775 436 G HN 0.295 nan 8.290 nan 0.000 0.543 437 L N 0.101 121.286 121.223 -0.063 0.000 2.042 437 L HA -0.195 4.145 4.340 0.000 0.000 0.210 437 L C 3.237 180.089 176.870 -0.030 0.000 1.076 437 L CA 1.492 56.292 54.840 -0.066 0.000 0.749 437 L CB -0.507 41.494 42.059 -0.097 0.000 0.893 437 L HN 0.339 nan 8.230 nan 0.000 0.432 438 Q N -0.488 119.309 119.800 -0.006 0.000 2.135 438 Q HA -0.212 4.128 4.340 0.000 0.000 0.204 438 Q C 2.308 178.309 176.000 0.002 0.000 0.981 438 Q CA 1.644 57.453 55.803 0.009 0.000 0.856 438 Q CB -0.269 28.494 28.738 0.042 0.000 0.902 438 Q HN 0.582 nan 8.270 nan 0.000 0.425 439 A N 0.697 123.514 122.820 -0.004 0.000 2.016 439 A HA -0.090 4.230 4.320 0.000 0.000 0.217 439 A C 1.995 179.571 177.584 -0.014 0.000 1.162 439 A CA 0.437 52.464 52.037 -0.017 0.000 0.662 439 A CB -0.402 18.578 19.000 -0.034 0.000 0.812 439 A HN 0.309 nan 8.150 nan 0.000 0.450 440 L N 0.783 122.000 121.223 -0.010 0.000 2.010 440 L HA -0.153 4.187 4.340 0.000 0.000 0.219 440 L C -0.708 176.183 176.870 0.036 0.000 1.077 440 L CA 2.856 57.705 54.840 0.016 0.000 0.773 440 L CB -1.356 40.710 42.059 0.011 0.000 0.892 440 L HN 0.185 nan 8.230 nan 0.000 0.436 441 P HA -0.137 nan 4.420 nan 0.000 0.215 441 P C 1.912 179.228 177.300 0.027 0.000 1.157 441 P CA 2.207 65.319 63.100 0.020 0.000 0.868 441 P CB -0.288 31.418 31.700 0.010 0.000 0.788 442 S N -1.079 114.633 115.700 0.021 0.000 2.453 442 S HA -0.027 4.443 4.470 0.000 0.000 0.231 442 S C 1.946 176.569 174.600 0.038 0.000 1.005 442 S CA 0.482 58.695 58.200 0.022 0.000 0.949 442 S CB -0.750 62.457 63.200 0.011 0.000 0.774 442 S HN 0.048 nan 8.310 nan 0.000 0.510 443 R N 0.787 121.316 120.500 0.049 0.000 2.073 443 R HA 0.198 4.538 4.340 0.000 0.000 0.229 443 R C 2.242 178.694 176.300 0.254 0.000 1.120 443 R CA 1.340 57.494 56.100 0.090 0.000 0.967 443 R CB -0.583 29.690 30.300 -0.044 0.000 0.862 443 R HN 0.449 nan 8.270 nan 0.000 0.436 444 I N 0.911 121.605 120.570 0.208 0.000 2.163 444 I HA -0.284 3.886 4.170 0.000 0.000 0.243 444 I C 2.430 178.556 176.117 0.016 0.000 1.085 444 I CA 1.361 62.727 61.300 0.110 0.000 1.347 444 I CB -0.297 37.725 38.000 0.037 0.000 1.044 444 I HN 0.143 nan 8.210 nan 0.000 0.408 445 E N 0.956 121.168 120.200 0.019 0.000 2.130 445 E HA -0.319 4.031 4.350 0.000 0.000 0.196 445 E C 2.116 178.720 176.600 0.006 0.000 0.998 445 E CA 1.677 58.078 56.400 0.000 0.000 0.806 445 E CB -0.162 29.550 29.700 0.021 0.000 0.738 445 E HN 0.506 nan 8.360 nan 0.000 0.459 446 Q N -0.974 118.852 119.800 0.043 0.000 2.424 446 Q HA -0.041 4.299 4.340 0.000 0.000 0.204 446 Q C 1.802 177.830 176.000 0.046 0.000 0.933 446 Q CA 0.609 56.440 55.803 0.048 0.000 0.929 446 Q CB 0.016 28.790 28.738 0.059 0.000 1.037 446 Q HN 0.334 nan 8.270 nan 0.000 0.511 447 M N 0.324 119.944 119.600 0.032 0.000 2.160 447 M HA -0.017 4.463 4.480 0.000 0.000 0.264 447 M C 1.482 177.713 176.300 -0.115 0.000 1.073 447 M CA 1.607 56.862 55.300 -0.074 0.000 1.142 447 M CB -0.161 32.290 32.600 -0.248 0.000 1.358 447 M HN 0.289 nan 8.290 nan 0.000 0.422 448 L N 0.180 121.308 121.223 -0.158 0.000 2.353 448 L HA -0.103 4.237 4.340 0.000 0.000 0.220 448 L C 2.184 179.011 176.870 -0.073 0.000 1.133 448 L CA 1.076 55.777 54.840 -0.231 0.000 0.798 448 L CB -1.264 40.511 42.059 -0.473 0.000 0.922 448 L HN 0.513 nan 8.230 nan 0.000 0.445 449 S N -1.086 114.605 115.700 -0.016 0.000 2.595 449 S HA -0.165 4.305 4.470 0.000 0.000 0.235 449 S C 1.548 176.169 174.600 0.036 0.000 0.974 449 S CA 0.633 58.855 58.200 0.035 0.000 0.942 449 S CB -0.197 63.023 63.200 0.034 0.000 0.766 449 S HN 0.567 nan 8.310 nan 0.000 0.536 450 Q N 0.124 119.934 119.800 0.017 0.000 2.198 450 Q HA 0.180 4.520 4.340 0.000 0.000 0.209 450 Q C 0.792 176.825 176.000 0.056 0.000 0.848 450 Q CA -0.026 55.796 55.803 0.032 0.000 0.974 450 Q CB 0.192 28.945 28.738 0.024 0.000 1.115 450 Q HN 0.606 nan 8.270 nan 0.000 0.494 451 D N 1.705 122.150 120.400 0.075 0.000 2.160 451 D HA -0.261 4.379 4.640 0.000 0.000 0.189 451 D C 1.488 177.849 176.300 0.102 0.000 1.003 451 D CA 1.766 55.857 54.000 0.152 0.000 0.846 451 D CB 0.336 41.299 40.800 0.271 0.000 0.949 451 D HN 0.058 nan 8.370 nan 0.000 0.446 452 K N -0.379 120.065 120.400 0.073 0.000 2.052 452 K HA -0.268 4.052 4.320 0.000 0.000 0.215 452 K C 2.411 179.007 176.600 -0.006 0.000 1.053 452 K CA 1.720 58.016 56.287 0.014 0.000 0.934 452 K CB -0.213 32.303 32.500 0.027 0.000 0.717 452 K HN 0.171 nan 8.250 nan 0.000 0.450 453 R N 0.307 120.820 120.500 0.022 0.000 2.091 453 R HA -0.100 4.240 4.340 0.000 0.000 0.238 453 R C 2.345 178.669 176.300 0.040 0.000 1.136 453 R CA 1.288 57.403 56.100 0.025 0.000 0.959 453 R CB -0.262 30.057 30.300 0.031 0.000 0.856 453 R HN 0.193 nan 8.270 nan 0.000 0.437 454 I N 0.887 121.503 120.570 0.077 0.000 2.226 454 I HA -0.249 3.921 4.170 0.000 0.000 0.245 454 I C 2.420 178.566 176.117 0.049 0.000 1.100 454 I CA 1.466 62.849 61.300 0.138 0.000 1.374 454 I CB -1.167 36.968 38.000 0.225 0.000 1.057 454 I HN 0.328 nan 8.210 nan 0.000 0.413 455 E N 1.475 121.603 120.200 -0.119 0.000 2.051 455 E HA -0.212 4.139 4.350 0.000 0.000 0.192 455 E C 2.309 178.829 176.600 -0.134 0.000 0.991 455 E CA 1.585 57.767 56.400 -0.362 0.000 0.799 455 E CB 0.003 29.326 29.700 -0.629 0.000 0.748 455 E HN 0.396 nan 8.360 nan 0.000 0.449 456 A N 0.864 123.640 122.820 -0.074 0.000 1.940 456 A HA -0.166 4.154 4.320 0.000 0.000 0.219 456 A C 2.138 179.729 177.584 0.011 0.000 1.176 456 A CA 1.249 53.269 52.037 -0.028 0.000 0.631 456 A CB -0.607 18.382 19.000 -0.018 0.000 0.814 456 A HN 0.386 nan 8.150 nan 0.000 0.446 457 L N -0.629 120.620 121.223 0.044 0.000 2.141 457 L HA -0.007 4.333 4.340 0.000 0.000 0.209 457 L C 2.738 179.719 176.870 0.186 0.000 1.094 457 L CA 1.612 56.518 54.840 0.111 0.000 0.763 457 L CB -0.499 41.650 42.059 0.150 0.000 0.908 457 L HN 0.359 nan 8.230 nan 0.000 0.437 458 A N -1.024 121.876 122.820 0.135 0.000 1.972 458 A HA -0.240 4.080 4.320 0.000 0.000 0.219 458 A C 2.151 179.856 177.584 0.202 0.000 1.169 458 A CA 1.518 53.646 52.037 0.152 0.000 0.635 458 A CB -0.568 18.476 19.000 0.072 0.000 0.810 458 A HN 0.436 nan 8.150 nan 0.000 0.446 459 E N 0.330 120.588 120.200 0.096 0.000 2.393 459 E HA -0.178 4.172 4.350 0.000 0.000 0.201 459 E C 0.619 177.243 176.600 0.040 0.000 1.025 459 E CA 1.185 57.616 56.400 0.051 0.000 0.856 459 E CB -0.192 29.515 29.700 0.011 0.000 0.771 459 E HN 0.553 nan 8.360 nan 0.000 0.526 460 D N -1.589 118.843 120.400 0.053 0.000 2.348 460 D HA -0.017 4.623 4.640 0.000 0.000 0.211 460 D C 0.323 176.476 176.300 -0.245 0.000 0.998 460 D CA 0.375 54.300 54.000 -0.125 0.000 0.873 460 D CB 0.055 40.710 40.800 -0.242 0.000 0.925 460 D HN 0.252 nan 8.370 nan 0.000 0.524 461 F N 0.364 120.246 119.950 -0.113 0.000 2.727 461 F HA 0.071 4.598 4.527 0.000 0.000 0.302 461 F C 2.236 177.969 175.800 -0.112 0.000 1.097 461 F CA -0.128 57.798 58.000 -0.124 0.000 1.330 461 F CB -0.040 38.880 39.000 -0.133 0.000 1.084 461 F HN -0.135 nan 8.300 nan 0.000 0.578 462 S N -0.119 115.609 115.700 0.048 0.000 2.368 462 S HA -0.222 4.248 4.470 0.000 0.000 0.225 462 S C 1.566 176.130 174.600 -0.060 0.000 1.030 462 S CA 1.627 59.829 58.200 0.003 0.000 0.999 462 S CB -0.526 62.673 63.200 -0.002 0.000 0.844 462 S HN 0.516 nan 8.310 nan 0.000 0.459 463 D N 0.537 120.882 120.400 -0.092 0.000 2.339 463 D HA 0.116 4.756 4.640 0.000 0.000 0.217 463 D C 0.266 176.386 176.300 -0.301 0.000 1.050 463 D CA 0.036 53.948 54.000 -0.146 0.000 0.856 463 D CB -0.081 40.676 40.800 -0.073 0.000 0.922 463 D HN 0.166 nan 8.370 nan 0.000 0.518 464 K N 0.229 120.478 120.400 -0.252 0.000 2.098 464 K HA 0.271 4.591 4.320 0.000 0.000 0.257 464 K C 0.011 176.380 176.600 -0.385 0.000 0.999 464 K CA -0.425 55.728 56.287 -0.225 0.000 0.924 464 K CB 1.033 33.492 32.500 -0.068 0.000 1.028 464 K HN 0.194 nan 8.250 nan 0.000 0.466 465 H N -0.969 118.146 119.070 0.074 0.000 3.398 465 H HA 0.206 4.762 4.556 0.000 0.000 0.260 465 H C -0.344 174.820 175.328 -0.274 0.000 1.189 465 H CA -0.179 55.827 56.048 -0.070 0.000 1.145 465 H CB 0.684 30.366 29.762 -0.134 0.000 1.599 465 H HN 0.410 nan 8.280 nan 0.000 0.615 466 H N 0.034 119.242 119.070 0.230 0.000 2.928 466 H HA 0.780 5.336 4.556 0.000 0.000 0.371 466 H C -0.908 174.546 175.328 0.209 0.000 1.186 466 H CA -0.883 55.283 56.048 0.197 0.000 1.134 466 H CB 2.432 32.268 29.762 0.125 0.000 1.824 466 H HN 0.193 nan 8.280 nan 0.000 0.554 467 A N 1.912 124.949 122.820 0.361 0.000 2.540 467 A HA 0.497 4.817 4.320 0.000 0.000 0.297 467 A C -1.894 175.923 177.584 0.389 0.000 1.056 467 A CA -0.539 51.715 52.037 0.361 0.000 0.700 467 A CB 1.474 20.744 19.000 0.450 0.000 1.280 467 A HN 0.281 nan 8.150 nan 0.000 0.398 468 L N 1.519 122.930 121.223 0.313 0.000 2.334 468 L HA 0.796 5.136 4.340 0.000 0.000 0.276 468 L C -1.048 176.036 176.870 0.357 0.000 1.014 468 L CA -0.246 54.827 54.840 0.388 0.000 0.815 468 L CB 1.191 43.425 42.059 0.292 0.000 1.268 468 L HN 0.602 nan 8.230 nan 0.000 0.428 469 F N 3.359 123.447 119.950 0.230 0.000 2.507 469 F HA 0.663 5.190 4.527 0.000 0.000 0.325 469 F C -0.337 175.604 175.800 0.235 0.000 1.116 469 F CA -0.651 57.469 58.000 0.199 0.000 0.930 469 F CB 1.465 40.544 39.000 0.132 0.000 1.146 469 F HN 0.088 nan 8.300 nan 0.000 0.447 470 L N 2.695 124.118 121.223 0.334 0.000 2.386 470 L HA 0.938 5.279 4.340 0.000 0.000 0.271 470 L C 0.008 177.024 176.870 0.244 0.000 0.993 470 L CA -0.713 54.298 54.840 0.284 0.000 0.819 470 L CB 2.085 44.262 42.059 0.197 0.000 1.294 470 L HN 0.756 nan 8.230 nan 0.000 0.414 471 G N 1.787 110.737 108.800 0.251 0.000 2.690 471 G HA2 0.691 4.651 3.960 0.000 0.000 0.291 471 G HA3 0.691 4.651 3.960 0.000 0.000 0.291 471 G C -1.688 173.307 174.900 0.159 0.000 1.403 471 G CA -0.648 44.563 45.100 0.186 0.000 0.864 471 G HN 0.415 nan 8.290 nan 0.000 0.480 472 R N -0.518 120.030 120.500 0.079 0.000 2.750 472 R HA 0.649 4.989 4.340 0.000 0.000 0.281 472 R C 0.764 177.039 176.300 -0.042 0.000 0.972 472 R CA 0.375 56.498 56.100 0.038 0.000 0.912 472 R CB 1.940 32.258 30.300 0.030 0.000 1.187 472 R HN 1.438 nan 8.270 nan 0.000 0.464 473 G N 2.365 111.132 108.800 -0.056 0.000 2.583 473 G HA2 -0.431 3.529 3.960 0.000 0.000 0.292 473 G HA3 -0.431 3.529 3.960 0.000 0.000 0.292 473 G C 0.349 174.642 174.900 -1.012 0.000 1.203 473 G CA 0.783 45.705 45.100 -0.296 0.000 0.987 473 G HN 0.804 nan 8.290 nan 0.000 0.554 474 D N 0.040 119.859 120.400 -0.967 0.000 2.350 474 D HA 0.051 4.691 4.640 0.000 0.000 0.216 474 D C 1.946 177.931 176.300 -0.526 0.000 0.968 474 D CA 1.642 55.038 54.000 -1.005 0.000 0.894 474 D CB -0.012 40.400 40.800 -0.646 0.000 0.909 474 D HN 0.408 nan 8.370 nan 0.000 0.520 475 Q N -0.927 118.684 119.800 -0.315 0.000 2.424 475 Q HA -0.024 4.316 4.340 0.000 0.000 0.204 475 Q C 1.209 177.188 176.000 -0.035 0.000 0.933 475 Q CA 0.153 55.872 55.803 -0.140 0.000 0.929 475 Q CB -0.244 28.433 28.738 -0.102 0.000 1.037 475 Q HN 0.509 nan 8.270 nan 0.000 0.511 476 Y N 2.630 122.821 120.300 -0.181 0.000 2.114 476 Y HA -0.071 4.479 4.550 0.000 0.000 0.284 476 Y C -0.945 174.937 175.900 -0.029 0.000 1.143 476 Y CA 1.005 59.072 58.100 -0.055 0.000 1.135 476 Y CB -1.246 37.209 38.460 -0.009 0.000 0.980 476 Y HN 0.049 nan 8.280 nan 0.000 0.499 477 P HA -0.153 nan 4.420 nan 0.000 0.225 477 P C 1.557 178.742 177.300 -0.191 0.000 1.148 477 P CA 1.394 64.243 63.100 -0.419 0.000 0.779 477 P CB -0.039 31.483 31.700 -0.297 0.000 0.780 478 I N -0.638 119.877 120.570 -0.092 0.000 2.406 478 I HA -0.079 4.091 4.170 0.000 0.000 0.249 478 I C 2.212 178.333 176.117 0.008 0.000 1.122 478 I CA 0.932 62.237 61.300 0.008 0.000 1.431 478 I CB -1.886 36.153 38.000 0.064 0.000 1.087 478 I HN -0.080 nan 8.210 nan 0.000 0.424 479 A N 1.506 124.364 122.820 0.064 0.000 1.892 479 A HA -0.204 4.116 4.320 0.000 0.000 0.218 479 A C 2.406 179.974 177.584 -0.025 0.000 1.188 479 A CA 1.595 53.730 52.037 0.163 0.000 0.631 479 A CB -1.021 18.143 19.000 0.273 0.000 0.822 479 A HN 0.396 nan 8.150 nan 0.000 0.447 480 L N -0.947 120.200 121.223 -0.125 0.000 2.079 480 L HA -0.223 4.117 4.340 0.000 0.000 0.210 480 L C 2.667 179.375 176.870 -0.271 0.000 1.081 480 L CA 1.789 56.507 54.840 -0.202 0.000 0.752 480 L CB -0.389 41.524 42.059 -0.242 0.000 0.896 480 L HN 0.526 nan 8.230 nan 0.000 0.433 481 E N 0.332 120.366 120.200 -0.278 0.000 2.072 481 E HA -0.112 4.238 4.350 0.000 0.000 0.190 481 E C 2.127 178.487 176.600 -0.400 0.000 0.982 481 E CA 1.322 57.485 56.400 -0.396 0.000 0.803 481 E CB -0.385 28.981 29.700 -0.556 0.000 0.755 481 E HN 0.286 nan 8.360 nan 0.000 0.453 482 G N 0.371 108.966 108.800 -0.342 0.000 2.418 482 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 482 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 482 G C 1.702 176.024 174.900 -0.963 0.000 1.158 482 G CA 1.125 45.992 45.100 -0.387 0.000 0.771 482 G HN 0.443 nan 8.290 nan 0.000 0.545 483 A N 0.317 122.351 122.820 -1.311 0.000 1.898 483 A HA 0.136 4.456 4.320 0.000 0.000 0.216 483 A C 2.328 179.590 177.584 -0.536 0.000 1.181 483 A CA 1.565 52.857 52.037 -1.242 0.000 0.620 483 A CB -0.419 18.112 19.000 -0.781 0.000 0.819 483 A HN 0.430 nan 8.150 nan 0.000 0.442 484 L N -0.609 120.378 121.223 -0.394 0.000 2.046 484 L HA -0.125 4.215 4.340 0.000 0.000 0.208 484 L C 2.085 178.820 176.870 -0.223 0.000 1.077 484 L CA 2.065 56.756 54.840 -0.248 0.000 0.747 484 L CB -0.476 41.453 42.059 -0.216 0.000 0.896 484 L HN 0.095 nan 8.230 nan 0.000 0.432 485 K N -0.546 119.690 120.400 -0.274 0.000 2.026 485 K HA -0.131 4.189 4.320 0.000 0.000 0.208 485 K C 2.106 178.605 176.600 -0.168 0.000 1.048 485 K CA 1.569 57.730 56.287 -0.209 0.000 0.929 485 K CB -1.014 31.356 32.500 -0.217 0.000 0.713 485 K HN 0.280 nan 8.250 nan 0.000 0.439 486 L N 1.687 122.794 121.223 -0.194 0.000 2.027 486 L HA -0.143 4.197 4.340 0.000 0.000 0.206 486 L C 1.954 178.779 176.870 -0.074 0.000 1.074 486 L CA 1.798 56.569 54.840 -0.115 0.000 0.745 486 L CB -0.491 41.550 42.059 -0.030 0.000 0.898 486 L HN 0.084 nan 8.230 nan 0.000 0.433 487 K N -0.428 119.939 120.400 -0.054 0.000 2.001 487 K HA -0.281 4.039 4.320 0.000 0.000 0.223 487 K C 2.004 178.629 176.600 0.043 0.000 1.055 487 K CA 2.328 58.624 56.287 0.016 0.000 0.965 487 K CB -0.410 32.086 32.500 -0.006 0.000 0.730 487 K HN 0.409 nan 8.250 nan 0.000 0.449 488 E N 0.165 120.367 120.200 0.004 0.000 2.114 488 E HA -0.224 4.126 4.350 0.000 0.000 0.199 488 E C 2.007 178.628 176.600 0.035 0.000 1.008 488 E CA 1.908 58.338 56.400 0.050 0.000 0.810 488 E CB -0.146 29.550 29.700 -0.006 0.000 0.739 488 E HN 0.521 nan 8.360 nan 0.000 0.456 489 I N -3.109 117.392 120.570 -0.115 0.000 4.181 489 I HA 0.138 4.308 4.170 0.000 0.000 0.331 489 I C 1.874 177.683 176.117 -0.513 0.000 1.312 489 I CA 0.305 61.453 61.300 -0.254 0.000 1.146 489 I CB 0.715 38.622 38.000 -0.155 0.000 1.074 489 I HN -0.106 nan 8.210 nan 0.000 0.402 490 S N -0.827 114.622 115.700 -0.418 0.000 2.526 490 S HA 0.120 4.590 4.470 0.000 0.000 0.220 490 S C 0.871 175.281 174.600 -0.317 0.000 1.017 490 S CA -0.062 57.891 58.200 -0.411 0.000 0.930 490 S CB -0.239 62.837 63.200 -0.205 0.000 0.856 490 S HN 0.471 nan 8.310 nan 0.000 0.497 491 Y N -0.140 120.161 120.300 0.002 0.000 4.916 491 Y HA -0.216 4.334 4.550 0.000 0.000 0.247 491 Y C 0.452 176.371 175.900 0.033 0.000 0.962 491 Y CA -0.182 57.924 58.100 0.010 0.000 1.933 491 Y CB -2.775 35.694 38.460 0.015 0.000 1.451 491 Y HN 0.410 nan 8.280 nan 0.000 0.539 492 I N 1.646 122.304 120.570 0.148 0.000 2.752 492 I HA -0.086 4.084 4.170 0.000 0.000 0.287 492 I C 1.447 177.680 176.117 0.193 0.000 1.188 492 I CA 0.452 61.845 61.300 0.155 0.000 1.427 492 I CB 0.359 38.439 38.000 0.133 0.000 1.365 492 I HN 0.255 nan 8.210 nan 0.000 0.585 493 H N 6.161 125.267 119.070 0.061 0.000 3.118 493 H HA 0.402 4.958 4.556 0.000 0.000 0.266 493 H C -0.095 175.327 175.328 0.158 0.000 1.465 493 H CA -0.812 55.283 56.048 0.078 0.000 1.460 493 H CB 0.221 30.002 29.762 0.031 0.000 1.661 493 H HN 0.723 nan 8.280 nan 0.000 0.516 494 A N 4.581 127.599 122.820 0.331 0.000 2.310 494 A HA 0.320 4.640 4.320 0.000 0.000 0.299 494 A C -0.285 177.420 177.584 0.203 0.000 1.147 494 A CA -0.551 51.650 52.037 0.273 0.000 0.818 494 A CB 0.770 19.845 19.000 0.124 0.000 1.096 494 A HN 0.855 nan 8.150 nan 0.000 0.495 495 E N 1.107 121.432 120.200 0.209 0.000 2.308 495 E HA 0.596 4.946 4.350 0.000 0.000 0.275 495 E C -0.997 175.665 176.600 0.104 0.000 0.890 495 E CA -0.693 55.756 56.400 0.082 0.000 0.754 495 E CB 1.916 31.649 29.700 0.057 0.000 1.207 495 E HN 0.908 nan 8.360 nan 0.000 0.426 496 A N 3.350 126.128 122.820 -0.070 0.000 2.320 496 A HA 0.743 5.063 4.320 0.000 0.000 0.334 496 A C -1.699 175.805 177.584 -0.132 0.000 1.147 496 A CA -0.366 51.713 52.037 0.071 0.000 0.820 496 A CB 0.598 19.640 19.000 0.070 0.000 1.218 496 A HN 0.572 nan 8.150 nan 0.000 0.482 497 Y N -0.278 120.190 120.300 0.280 0.000 2.524 497 Y HA 0.561 5.111 4.550 0.000 0.000 0.347 497 Y C 0.587 176.611 175.900 0.206 0.000 1.005 497 Y CA -0.378 57.866 58.100 0.241 0.000 1.025 497 Y CB 2.038 40.586 38.460 0.147 0.000 1.275 497 Y HN 0.909 nan 8.280 nan 0.000 0.460 498 A N 1.256 124.096 122.820 0.033 0.000 2.520 498 A HA 0.434 4.754 4.320 0.000 0.000 0.245 498 A C 1.307 178.900 177.584 0.016 0.000 1.072 498 A CA 0.407 52.245 52.037 -0.330 0.000 0.761 498 A CB -0.120 18.427 19.000 -0.756 0.000 1.004 498 A HN 1.113 nan 8.150 nan 0.000 0.499 499 A N 3.348 126.203 122.820 0.058 0.000 1.884 499 A HA -0.057 4.263 4.320 0.000 0.000 0.219 499 A C 2.243 179.853 177.584 0.044 0.000 1.197 499 A CA 2.361 54.447 52.037 0.081 0.000 0.637 499 A CB -1.319 17.730 19.000 0.082 0.000 0.827 499 A HN 1.602 nan 8.150 nan 0.000 0.450 500 G N -1.468 107.351 108.800 0.032 0.000 2.586 500 G HA2 -0.091 3.869 3.960 0.000 0.000 0.215 500 G HA3 -0.091 3.869 3.960 0.000 0.000 0.215 500 G C 1.290 176.248 174.900 0.097 0.000 1.128 500 G CA 0.912 46.039 45.100 0.045 0.000 0.774 500 G HN 0.483 nan 8.290 nan 0.000 0.543 501 E N -0.392 119.869 120.200 0.102 0.000 2.340 501 E HA 0.069 4.419 4.350 0.000 0.000 0.194 501 E C 2.354 179.007 176.600 0.088 0.000 0.996 501 E CA -0.173 56.347 56.400 0.200 0.000 0.869 501 E CB -0.066 29.733 29.700 0.165 0.000 0.835 501 E HN 0.373 nan 8.360 nan 0.000 0.493 502 L N 2.470 123.655 121.223 -0.063 0.000 2.081 502 L HA -0.227 4.113 4.340 0.000 0.000 0.212 502 L C 2.215 178.962 176.870 -0.205 0.000 1.080 502 L CA 1.988 56.664 54.840 -0.274 0.000 0.754 502 L CB -0.379 41.536 42.059 -0.238 0.000 0.893 502 L HN 0.061 nan 8.230 nan 0.000 0.433 503 K N -2.126 118.163 120.400 -0.184 0.000 2.362 503 K HA -0.157 4.163 4.320 0.000 0.000 0.200 503 K C 0.799 177.231 176.600 -0.278 0.000 1.046 503 K CA 1.173 57.311 56.287 -0.247 0.000 0.952 503 K CB -0.616 31.700 32.500 -0.306 0.000 0.753 503 K HN 0.469 nan 8.250 nan 0.000 0.466 504 H N 0.403 119.446 119.070 -0.044 0.000 2.842 504 H HA 0.129 4.686 4.556 0.000 0.000 0.312 504 H C 0.944 176.264 175.328 -0.013 0.000 1.137 504 H CA 0.858 56.896 56.048 -0.017 0.000 1.176 504 H CB 0.550 30.314 29.762 0.003 0.000 1.361 504 H HN 0.686 nan 8.280 nan 0.000 0.557 505 G N 0.859 109.672 108.800 0.021 0.000 3.435 505 G HA2 -0.215 3.745 3.960 0.000 0.000 0.197 505 G HA3 -0.215 3.745 3.960 0.000 0.000 0.197 505 G C -1.250 173.635 174.900 -0.026 0.000 1.497 505 G CA -0.312 44.799 45.100 0.017 0.000 1.043 505 G HN 0.262 nan 8.290 nan 0.000 0.466 506 P HA 0.095 nan 4.420 nan 0.000 0.220 506 P C 1.973 179.167 177.300 -0.177 0.000 1.148 506 P CA 0.797 63.808 63.100 -0.148 0.000 0.803 506 P CB -0.054 31.387 31.700 -0.431 0.000 0.782 507 L N -0.059 121.059 121.223 -0.174 0.000 2.270 507 L HA -0.195 4.145 4.340 0.000 0.000 0.217 507 L C 2.097 178.920 176.870 -0.078 0.000 1.107 507 L CA 1.665 56.429 54.840 -0.125 0.000 0.772 507 L CB -1.303 40.688 42.059 -0.113 0.000 0.902 507 L HN -0.077 nan 8.230 nan 0.000 0.439 508 A N -1.132 121.651 122.820 -0.061 0.000 2.125 508 A HA -0.138 4.182 4.320 0.000 0.000 0.219 508 A C 2.118 179.677 177.584 -0.040 0.000 1.156 508 A CA 1.492 53.505 52.037 -0.040 0.000 0.671 508 A CB -0.743 18.242 19.000 -0.024 0.000 0.794 508 A HN 0.509 nan 8.150 nan 0.000 0.459 509 L N -0.721 120.472 121.223 -0.049 0.000 2.552 509 L HA 0.148 4.488 4.340 0.000 0.000 0.227 509 L C 0.188 177.024 176.870 -0.056 0.000 1.146 509 L CA -0.042 54.764 54.840 -0.056 0.000 0.858 509 L CB -0.209 41.820 42.059 -0.049 0.000 0.969 509 L HN 0.268 nan 8.230 nan 0.000 0.451 510 I N 1.029 121.572 120.570 -0.045 0.000 2.416 510 I HA 0.071 4.241 4.170 0.000 0.000 0.288 510 I C -0.274 175.827 176.117 -0.027 0.000 1.051 510 I CA -0.105 61.176 61.300 -0.031 0.000 1.375 510 I CB 0.721 38.703 38.000 -0.029 0.000 1.407 510 I HN 0.141 nan 8.210 nan 0.000 0.516 511 D N 4.582 124.970 120.400 -0.021 0.000 2.744 511 D HA 0.406 5.046 4.640 0.000 0.000 0.304 511 D C 0.507 176.804 176.300 -0.006 0.000 1.179 511 D CA -0.635 53.356 54.000 -0.015 0.000 1.024 511 D CB 0.825 41.615 40.800 -0.017 0.000 1.453 511 D HN 0.313 nan 8.370 nan 0.000 0.529 512 A N -0.653 122.165 122.820 -0.003 0.000 2.131 512 A HA -0.118 4.202 4.320 0.000 0.000 0.220 512 A C 1.019 178.608 177.584 0.008 0.000 1.158 512 A CA 1.487 53.525 52.037 0.001 0.000 0.665 512 A CB -0.611 18.389 19.000 -0.001 0.000 0.795 512 A HN 0.516 nan 8.150 nan 0.000 0.460 513 D N -1.745 118.661 120.400 0.011 0.000 2.369 513 D HA 0.144 4.784 4.640 0.000 0.000 0.211 513 D C 0.238 176.554 176.300 0.026 0.000 1.077 513 D CA 0.052 54.063 54.000 0.018 0.000 0.842 513 D CB 0.170 40.988 40.800 0.030 0.000 0.947 513 D HN 0.444 nan 8.370 nan 0.000 0.509 514 M N 2.977 122.594 119.600 0.028 0.000 2.108 514 M HA 0.249 4.729 4.480 0.000 0.000 0.347 514 M C -2.615 173.728 176.300 0.072 0.000 1.326 514 M CA -1.928 53.401 55.300 0.049 0.000 1.126 514 M CB 1.246 33.864 32.600 0.031 0.000 1.606 514 M HN -0.325 nan 8.290 nan 0.000 0.462 515 P HA 0.167 nan 4.420 nan 0.000 0.276 515 P C -1.295 176.097 177.300 0.153 0.000 1.230 515 P CA -0.234 62.929 63.100 0.104 0.000 0.776 515 P CB 0.691 32.277 31.700 -0.191 0.000 0.888 516 V N 5.274 125.314 119.914 0.211 0.000 2.409 516 V HA 0.265 4.385 4.120 0.000 0.000 0.290 516 V C 0.382 176.548 176.094 0.120 0.000 1.017 516 V CA -0.567 61.813 62.300 0.132 0.000 0.841 516 V CB 1.105 32.991 31.823 0.106 0.000 1.003 516 V HN 0.364 nan 8.190 nan 0.000 0.426 517 I N 5.247 125.769 120.570 -0.080 0.000 2.428 517 I HA 0.478 4.648 4.170 0.000 0.000 0.289 517 I C -0.092 176.022 176.117 -0.006 0.000 1.019 517 I CA 0.002 61.234 61.300 -0.114 0.000 1.351 517 I CB 1.618 39.228 38.000 -0.649 0.000 1.412 517 I HN 0.303 nan 8.210 nan 0.000 0.513 518 V N 6.257 126.247 119.914 0.126 0.000 2.709 518 V HA 0.453 4.573 4.120 0.000 0.000 0.308 518 V C -0.479 175.750 176.094 0.224 0.000 1.062 518 V CA -0.922 61.463 62.300 0.141 0.000 0.901 518 V CB 2.135 34.001 31.823 0.071 0.000 1.003 518 V HN 0.465 nan 8.190 nan 0.000 0.425 519 V N 1.481 121.524 119.914 0.215 0.000 2.370 519 V HA 0.925 5.045 4.120 0.000 0.000 0.279 519 V C 0.371 176.537 176.094 0.119 0.000 1.029 519 V CA -0.457 61.992 62.300 0.248 0.000 0.870 519 V CB 1.167 33.121 31.823 0.218 0.000 0.984 519 V HN 1.079 nan 8.190 nan 0.000 0.451 520 A N 6.721 129.634 122.820 0.156 0.000 2.978 520 A HA 0.732 5.052 4.320 0.000 0.000 0.341 520 A C -2.149 175.493 177.584 0.096 0.000 1.105 520 A CA -1.511 50.602 52.037 0.127 0.000 0.819 520 A CB 0.315 19.454 19.000 0.232 0.000 1.080 520 A HN 0.738 nan 8.150 nan 0.000 0.476 521 P HA 0.014 nan 4.420 nan 0.000 0.272 521 P C -0.472 176.869 177.300 0.069 0.000 1.240 521 P CA -0.323 62.703 63.100 -0.123 0.000 0.791 521 P CB 0.711 32.208 31.700 -0.339 0.000 0.978 522 N N 1.685 120.461 118.700 0.127 0.000 2.868 522 N HA 0.033 4.774 4.740 0.000 0.000 0.252 522 N C -0.299 175.240 175.510 0.049 0.000 1.130 522 N CA -0.454 52.656 53.050 0.100 0.000 1.026 522 N CB -0.319 38.236 38.487 0.114 0.000 1.335 522 N HN 0.373 nan 8.380 nan 0.000 0.516 523 N N 0.536 119.255 118.700 0.032 0.000 3.379 523 N HA 0.144 4.884 4.740 0.000 0.000 0.350 523 N C 0.179 175.700 175.510 0.017 0.000 1.553 523 N CA -0.520 52.541 53.050 0.019 0.000 0.712 523 N CB 0.372 38.866 38.487 0.012 0.000 1.880 523 N HN 0.074 nan 8.380 nan 0.000 0.648 524 E N -0.782 119.428 120.200 0.017 0.000 2.435 524 E HA 0.177 4.527 4.350 0.000 0.000 0.195 524 E C 0.702 177.314 176.600 0.019 0.000 1.029 524 E CA 0.275 56.685 56.400 0.016 0.000 0.865 524 E CB -0.123 29.589 29.700 0.020 0.000 0.833 524 E HN 0.396 nan 8.360 nan 0.000 0.510 525 L N 0.882 122.117 121.223 0.021 0.000 2.591 525 L HA 0.014 4.354 4.340 0.000 0.000 0.228 525 L C 1.968 178.856 176.870 0.029 0.000 1.133 525 L CA -0.186 54.669 54.840 0.025 0.000 0.880 525 L CB -0.052 42.021 42.059 0.024 0.000 1.033 525 L HN 0.196 nan 8.230 nan 0.000 0.450 526 L N 0.336 121.574 121.223 0.026 0.000 2.017 526 L HA -0.190 4.150 4.340 0.000 0.000 0.208 526 L C 2.299 179.178 176.870 0.015 0.000 1.073 526 L CA 1.924 56.786 54.840 0.036 0.000 0.745 526 L CB -0.329 41.748 42.059 0.029 0.000 0.894 526 L HN 0.216 nan 8.230 nan 0.000 0.432 527 E N -0.802 119.394 120.200 -0.006 0.000 2.204 527 E HA -0.175 4.175 4.350 0.000 0.000 0.194 527 E C 1.954 178.555 176.600 0.001 0.000 0.989 527 E CA 0.655 57.044 56.400 -0.019 0.000 0.824 527 E CB 0.042 29.728 29.700 -0.024 0.000 0.756 527 E HN 0.436 nan 8.360 nan 0.000 0.477 528 K N 0.659 121.069 120.400 0.015 0.000 2.057 528 K HA -0.127 4.193 4.320 0.000 0.000 0.206 528 K C 2.236 178.856 176.600 0.035 0.000 1.050 528 K CA 0.538 56.839 56.287 0.023 0.000 0.935 528 K CB -0.468 32.048 32.500 0.027 0.000 0.715 528 K HN 0.117 nan 8.250 nan 0.000 0.439 529 L N 2.166 123.420 121.223 0.052 0.000 2.017 529 L HA -0.147 4.193 4.340 0.000 0.000 0.208 529 L C 2.108 179.037 176.870 0.098 0.000 1.073 529 L CA 1.821 56.709 54.840 0.081 0.000 0.745 529 L CB -0.330 41.794 42.059 0.109 0.000 0.894 529 L HN 0.034 nan 8.230 nan 0.000 0.432 530 K N -0.838 119.615 120.400 0.088 0.000 2.074 530 K HA -0.170 4.150 4.320 0.000 0.000 0.209 530 K C 2.085 178.710 176.600 0.042 0.000 1.048 530 K CA 1.680 58.009 56.287 0.069 0.000 0.926 530 K CB -0.286 32.191 32.500 -0.038 0.000 0.713 530 K HN 0.363 nan 8.250 nan 0.000 0.444 531 S N 1.347 117.060 115.700 0.021 0.000 2.374 531 S HA -0.142 4.328 4.470 0.000 0.000 0.227 531 S C 1.558 176.168 174.600 0.017 0.000 1.037 531 S CA 1.393 59.599 58.200 0.011 0.000 1.024 531 S CB -0.320 62.882 63.200 0.003 0.000 0.861 531 S HN 0.331 nan 8.310 nan 0.000 0.456 532 N N 1.324 120.041 118.700 0.029 0.000 2.188 532 N HA 0.063 4.803 4.740 0.000 0.000 0.184 532 N C 1.676 177.206 175.510 0.033 0.000 1.018 532 N CA 0.860 53.924 53.050 0.023 0.000 0.858 532 N CB -0.381 38.127 38.487 0.035 0.000 0.989 532 N HN 0.395 nan 8.380 nan 0.000 0.426 533 I N 1.404 122.013 120.570 0.066 0.000 2.226 533 I HA -0.185 3.985 4.170 0.000 0.000 0.245 533 I C 1.986 178.132 176.117 0.049 0.000 1.100 533 I CA 1.019 62.366 61.300 0.078 0.000 1.374 533 I CB -0.050 38.044 38.000 0.157 0.000 1.057 533 I HN -0.011 nan 8.210 nan 0.000 0.413 534 E N 0.810 121.033 120.200 0.039 0.000 2.152 534 E HA -0.181 4.169 4.350 0.000 0.000 0.192 534 E C 1.993 178.593 176.600 -0.000 0.000 0.983 534 E CA 0.961 57.370 56.400 0.016 0.000 0.818 534 E CB -0.191 29.513 29.700 0.007 0.000 0.758 534 E HN 0.547 nan 8.360 nan 0.000 0.467 535 E N 0.331 120.528 120.200 -0.005 0.000 2.110 535 E HA -0.121 4.229 4.350 0.000 0.000 0.193 535 E C 2.131 178.719 176.600 -0.021 0.000 0.988 535 E CA 1.062 57.450 56.400 -0.020 0.000 0.804 535 E CB 0.040 29.720 29.700 -0.033 0.000 0.745 535 E HN 0.023 nan 8.360 nan 0.000 0.458 536 V N 1.193 121.100 119.914 -0.010 0.000 2.358 536 V HA -0.210 3.910 4.120 0.000 0.000 0.246 536 V C 2.196 178.284 176.094 -0.010 0.000 1.047 536 V CA 1.577 63.871 62.300 -0.010 0.000 1.035 536 V CB -0.418 31.407 31.823 0.003 0.000 0.658 536 V HN 0.203 nan 8.190 nan 0.000 0.452 537 R N 0.350 120.846 120.500 -0.008 0.000 2.115 537 R HA -0.063 4.277 4.340 0.000 0.000 0.230 537 R C 2.379 178.668 176.300 -0.019 0.000 1.111 537 R CA 1.296 57.386 56.100 -0.016 0.000 0.976 537 R CB -0.610 29.681 30.300 -0.015 0.000 0.870 537 R HN 0.522 nan 8.270 nan 0.000 0.445 538 A N 1.238 124.048 122.820 -0.017 0.000 2.024 538 A HA -0.133 4.188 4.320 0.000 0.000 0.220 538 A C 1.714 179.286 177.584 -0.020 0.000 1.164 538 A CA 1.209 53.235 52.037 -0.019 0.000 0.643 538 A CB -0.094 18.894 19.000 -0.020 0.000 0.806 538 A HN 0.091 nan 8.150 nan 0.000 0.451 539 R N -1.709 118.779 120.500 -0.021 0.000 2.393 539 R HA 0.235 4.575 4.340 0.000 0.000 0.244 539 R C 1.159 177.448 176.300 -0.018 0.000 0.920 539 R CA 0.687 56.775 56.100 -0.021 0.000 1.076 539 R CB -0.230 30.054 30.300 -0.027 0.000 1.119 539 R HN 0.819 nan 8.270 nan 0.000 0.524 540 G N -0.053 108.736 108.800 -0.017 0.000 2.179 540 G HA2 -0.217 3.743 3.960 0.000 0.000 0.220 540 G HA3 -0.217 3.743 3.960 0.000 0.000 0.220 540 G C 0.511 175.404 174.900 -0.011 0.000 0.990 540 G CA -0.203 44.888 45.100 -0.015 0.000 0.646 540 G HN 0.544 nan 8.290 nan 0.000 0.517 541 G N -0.380 108.415 108.800 -0.007 0.000 2.527 541 G HA2 0.481 4.441 3.960 0.000 0.000 0.248 541 G HA3 0.481 4.441 3.960 0.000 0.000 0.248 541 G C -0.030 174.875 174.900 0.007 0.000 1.231 541 G CA -0.165 44.940 45.100 0.008 0.000 0.838 541 G HN 0.187 nan 8.290 nan 0.000 0.570 542 Q N 0.626 120.450 119.800 0.040 0.000 2.361 542 Q HA 0.301 4.641 4.340 0.000 0.000 0.250 542 Q C 0.010 176.046 176.000 0.060 0.000 1.023 542 Q CA -0.042 55.785 55.803 0.041 0.000 0.915 542 Q CB 1.266 30.076 28.738 0.120 0.000 1.238 542 Q HN 0.374 nan 8.270 nan 0.000 0.451 543 L N 3.291 124.459 121.223 -0.092 0.000 2.326 543 L HA 0.280 4.620 4.340 0.000 0.000 0.278 543 L C -0.684 176.002 176.870 -0.307 0.000 1.092 543 L CA -0.468 54.328 54.840 -0.074 0.000 0.810 543 L CB 0.528 42.528 42.059 -0.098 0.000 1.153 543 L HN 0.469 nan 8.230 nan 0.000 0.439 544 Y N 2.685 122.973 120.300 -0.020 0.000 2.388 544 Y HA 0.447 4.997 4.550 0.000 0.000 0.328 544 Y C -0.344 175.441 175.900 -0.191 0.000 0.963 544 Y CA -0.905 57.149 58.100 -0.077 0.000 1.240 544 Y CB 1.290 39.760 38.460 0.016 0.000 1.118 544 Y HN 0.108 nan 8.280 nan 0.000 0.484 545 V N 4.568 124.328 119.914 -0.256 0.000 2.384 545 V HA 0.337 4.457 4.120 0.000 0.000 0.287 545 V C -0.566 175.306 176.094 -0.370 0.000 1.020 545 V CA -1.023 61.098 62.300 -0.299 0.000 0.850 545 V CB 0.704 32.173 31.823 -0.589 0.000 0.987 545 V HN 0.442 nan 8.190 nan 0.000 0.436 546 F N 3.708 123.644 119.950 -0.023 0.000 2.368 546 F HA 0.693 5.220 4.527 0.000 0.000 0.362 546 F C 0.659 176.547 175.800 0.147 0.000 1.137 546 F CA -0.156 57.868 58.000 0.040 0.000 1.161 546 F CB 1.021 40.060 39.000 0.066 0.000 1.265 546 F HN 0.572 nan 8.300 nan 0.000 0.530 547 A N 3.057 126.000 122.820 0.205 0.000 2.371 547 A HA 0.340 4.660 4.320 0.000 0.000 0.311 547 A C -0.585 177.205 177.584 0.344 0.000 1.068 547 A CA -0.875 51.329 52.037 0.277 0.000 0.744 547 A CB 0.869 19.919 19.000 0.083 0.000 1.239 547 A HN 0.626 nan 8.150 nan 0.000 0.435 548 D N 1.830 122.505 120.400 0.459 0.000 2.571 548 D HA -0.100 4.540 4.640 0.000 0.000 0.231 548 D C 1.029 177.507 176.300 0.298 0.000 1.133 548 D CA 0.662 54.901 54.000 0.399 0.000 0.862 548 D CB 0.704 41.752 40.800 0.414 0.000 1.179 548 D HN 0.663 nan 8.370 nan 0.000 0.474 549 Q N 1.830 121.758 119.800 0.213 0.000 2.268 549 Q HA -0.226 4.114 4.340 0.000 0.000 0.213 549 Q C 0.399 176.515 176.000 0.193 0.000 0.995 549 Q CA 1.784 57.671 55.803 0.140 0.000 0.901 549 Q CB 0.154 28.882 28.738 -0.017 0.000 0.921 549 Q HN 0.535 nan 8.270 nan 0.000 0.421 550 D N -1.927 118.630 120.400 0.262 0.000 2.402 550 D HA 0.146 4.786 4.640 0.000 0.000 0.216 550 D C 0.747 177.132 176.300 0.141 0.000 1.128 550 D CA 0.295 54.411 54.000 0.193 0.000 0.833 550 D CB 0.425 41.339 40.800 0.190 0.000 0.971 550 D HN 0.185 nan 8.370 nan 0.000 0.503 551 A N 0.487 123.426 122.820 0.197 0.000 2.225 551 A HA 0.217 4.537 4.320 0.000 0.000 0.215 551 A C 1.902 179.449 177.584 -0.061 0.000 1.164 551 A CA 1.210 53.334 52.037 0.144 0.000 0.710 551 A CB -0.474 18.765 19.000 0.398 0.000 0.780 551 A HN 0.293 nan 8.150 nan 0.000 0.473 552 G N -2.322 106.481 108.800 0.005 0.000 2.148 552 G HA2 -0.270 3.690 3.960 0.000 0.000 0.254 552 G HA3 -0.270 3.690 3.960 0.000 0.000 0.254 552 G C -0.012 174.816 174.900 -0.121 0.000 0.981 552 G CA 0.158 45.214 45.100 -0.074 0.000 0.670 552 G HN 0.359 nan 8.290 nan 0.000 0.528 553 F N -0.179 119.782 119.950 0.019 0.000 2.471 553 F HA 0.515 5.042 4.527 0.000 0.000 0.353 553 F C 0.894 176.684 175.800 -0.016 0.000 1.113 553 F CA -0.292 57.707 58.000 -0.002 0.000 1.262 553 F CB 1.385 40.385 39.000 -0.000 0.000 1.146 553 F HN -0.015 nan 8.300 nan 0.000 0.578 554 V N 2.410 122.423 119.914 0.165 0.000 2.604 554 V HA 0.291 4.411 4.120 0.000 0.000 0.305 554 V C -0.166 175.944 176.094 0.026 0.000 1.043 554 V CA -1.058 61.281 62.300 0.066 0.000 0.888 554 V CB 1.859 33.696 31.823 0.023 0.000 0.995 554 V HN 0.778 nan 8.190 nan 0.000 0.429 555 S N 2.707 118.399 115.700 -0.013 0.000 2.560 555 S HA 0.435 4.905 4.470 0.000 0.000 0.284 555 S C 0.192 174.734 174.600 -0.096 0.000 1.327 555 S CA 0.140 58.295 58.200 -0.075 0.000 1.055 555 S CB 0.889 64.052 63.200 -0.063 0.000 0.868 555 S HN 0.944 nan 8.310 nan 0.000 0.506 556 S N 0.310 115.905 115.700 -0.174 0.000 2.705 556 S HA 0.312 4.782 4.470 0.000 0.000 0.280 556 S C 0.091 174.545 174.600 -0.244 0.000 1.174 556 S CA -0.737 57.367 58.200 -0.161 0.000 0.823 556 S CB 0.870 63.990 63.200 -0.132 0.000 1.162 556 S HN 0.616 nan 8.310 nan 0.000 0.487 557 D N 1.688 121.988 120.400 -0.167 0.000 2.218 557 D HA -0.078 4.562 4.640 0.000 0.000 0.204 557 D C 0.905 177.064 176.300 -0.236 0.000 0.976 557 D CA 1.066 54.976 54.000 -0.148 0.000 0.853 557 D CB -0.273 40.487 40.800 -0.067 0.000 0.939 557 D HN 0.668 nan 8.370 nan 0.000 0.481 558 N N 0.019 118.562 118.700 -0.261 0.000 2.275 558 N HA 0.054 4.794 4.740 0.000 0.000 0.236 558 N C -0.329 174.944 175.510 -0.395 0.000 1.154 558 N CA -0.205 52.691 53.050 -0.257 0.000 0.866 558 N CB 0.381 38.792 38.487 -0.127 0.000 1.093 558 N HN 0.030 nan 8.380 nan 0.000 0.515 559 M N 1.474 120.703 119.600 -0.618 0.000 2.150 559 M HA 0.278 4.758 4.480 0.000 0.000 0.255 559 M C -2.225 173.628 176.300 -0.746 0.000 0.963 559 M CA -0.265 54.714 55.300 -0.535 0.000 1.033 559 M CB 1.020 33.469 32.600 -0.252 0.000 2.007 559 M HN 0.029 nan 8.290 nan 0.000 0.462 560 H N 6.083 124.909 119.070 -0.406 0.000 2.581 560 H HA 0.463 5.019 4.556 0.000 0.000 0.308 560 H C -0.574 174.551 175.328 -0.338 0.000 1.040 560 H CA -0.586 55.238 56.048 -0.373 0.000 1.231 560 H CB 0.818 30.278 29.762 -0.503 0.000 1.396 560 H HN 0.524 nan 8.280 nan 0.000 0.467 561 I N 4.451 124.915 120.570 -0.177 0.000 2.396 561 I HA 0.173 4.343 4.170 0.000 0.000 0.292 561 I C 0.495 176.505 176.117 -0.180 0.000 0.999 561 I CA -0.891 60.288 61.300 -0.201 0.000 1.310 561 I CB 0.850 38.783 38.000 -0.110 0.000 1.404 561 I HN 0.380 nan 8.210 nan 0.000 0.496 562 I N 5.055 125.467 120.570 -0.264 0.000 2.382 562 I HA 0.254 4.424 4.170 0.000 0.000 0.285 562 I C 0.421 176.511 176.117 -0.046 0.000 1.007 562 I CA -0.327 60.873 61.300 -0.168 0.000 1.142 562 I CB 0.769 38.583 38.000 -0.310 0.000 1.289 562 I HN 0.442 nan 8.210 nan 0.000 0.453 563 E N 6.570 126.773 120.200 0.004 0.000 2.338 563 E HA 0.413 4.763 4.350 0.000 0.000 0.272 563 E C -0.613 176.024 176.600 0.061 0.000 1.029 563 E CA -0.298 56.131 56.400 0.049 0.000 0.872 563 E CB 1.006 30.732 29.700 0.042 0.000 1.015 563 E HN 0.420 nan 8.360 nan 0.000 0.417 564 M N 3.282 122.941 119.600 0.099 0.000 2.528 564 M HA 0.392 4.873 4.480 0.000 0.000 0.321 564 M C -2.409 173.963 176.300 0.121 0.000 1.153 564 M CA -2.490 52.869 55.300 0.098 0.000 0.951 564 M CB 1.332 33.967 32.600 0.057 0.000 1.705 564 M HN 0.114 nan 8.290 nan 0.000 0.451 565 P HA 0.081 nan 4.420 nan 0.000 0.270 565 P C -0.792 176.541 177.300 0.055 0.000 1.223 565 P CA 0.121 63.224 63.100 0.006 0.000 0.785 565 P CB 0.136 31.879 31.700 0.073 0.000 0.923 566 H N -1.046 118.046 119.070 0.036 0.000 2.972 566 H HA 0.256 4.812 4.556 0.000 0.000 0.343 566 H C 0.050 175.279 175.328 -0.165 0.000 1.054 566 H CA -0.342 55.701 56.048 -0.008 0.000 1.412 566 H CB 0.196 29.955 29.762 -0.006 0.000 1.385 566 H HN 0.070 nan 8.280 nan 0.000 0.600 567 V N 2.122 122.014 119.914 -0.036 0.000 3.114 567 V HA 0.086 4.206 4.120 0.000 0.000 0.308 567 V C -0.434 175.613 176.094 -0.079 0.000 1.168 567 V CA -1.071 61.087 62.300 -0.237 0.000 1.015 567 V CB 2.311 33.814 31.823 -0.533 0.000 1.050 567 V HN 0.729 nan 8.190 nan 0.000 0.433 568 E N 1.690 121.836 120.200 -0.090 0.000 2.415 568 E HA 0.094 4.444 4.350 0.000 0.000 0.263 568 E C 0.900 177.501 176.600 0.002 0.000 0.995 568 E CA 0.089 56.467 56.400 -0.037 0.000 0.915 568 E CB 0.458 30.133 29.700 -0.042 0.000 0.951 568 E HN 0.521 nan 8.360 nan 0.000 0.449 569 E N 2.156 122.367 120.200 0.020 0.000 2.114 569 E HA -0.198 4.152 4.350 0.000 0.000 0.199 569 E C 1.730 178.381 176.600 0.085 0.000 1.008 569 E CA 0.907 57.339 56.400 0.053 0.000 0.810 569 E CB -0.102 29.627 29.700 0.048 0.000 0.739 569 E HN 0.418 nan 8.360 nan 0.000 0.456 570 V N 1.466 121.396 119.914 0.027 0.000 2.490 570 V HA -0.192 3.928 4.120 0.000 0.000 0.250 570 V C 2.104 178.198 176.094 0.001 0.000 1.061 570 V CA 1.793 64.074 62.300 -0.031 0.000 1.064 570 V CB -0.277 31.443 31.823 -0.173 0.000 0.670 570 V HN 0.390 nan 8.190 nan 0.000 0.461 571 I N -2.400 118.188 120.570 0.030 0.000 3.956 571 I HA 0.430 4.600 4.170 0.000 0.000 0.333 571 I C 2.082 178.331 176.117 0.219 0.000 1.302 571 I CA 0.670 62.023 61.300 0.089 0.000 1.122 571 I CB -0.388 37.621 38.000 0.014 0.000 1.013 571 I HN 0.101 nan 8.210 nan 0.000 0.405 572 A N 2.842 125.799 122.820 0.228 0.000 1.884 572 A HA -0.121 4.199 4.320 0.000 0.000 0.219 572 A C 0.203 178.019 177.584 0.386 0.000 1.197 572 A CA 2.210 54.445 52.037 0.330 0.000 0.637 572 A CB -2.035 17.076 19.000 0.184 0.000 0.827 572 A HN 0.381 nan 8.150 nan 0.000 0.450 573 P HA -0.171 nan 4.420 nan 0.000 0.216 573 P C 1.335 178.767 177.300 0.219 0.000 1.153 573 P CA 1.295 64.496 63.100 0.168 0.000 0.858 573 P CB -0.157 31.559 31.700 0.027 0.000 0.789 574 I N -2.689 118.031 120.570 0.250 0.000 2.252 574 I HA -0.226 3.944 4.170 0.000 0.000 0.245 574 I C 2.242 178.492 176.117 0.221 0.000 1.102 574 I CA 1.187 62.592 61.300 0.175 0.000 1.385 574 I CB -0.651 37.439 38.000 0.150 0.000 1.064 574 I HN -0.136 nan 8.210 nan 0.000 0.414 575 F N 1.202 121.230 119.950 0.131 0.000 2.069 575 F HA -0.271 4.256 4.527 0.000 0.000 0.298 575 F C 2.235 178.068 175.800 0.055 0.000 1.113 575 F CA 1.668 59.722 58.000 0.090 0.000 1.214 575 F CB -0.596 38.487 39.000 0.138 0.000 0.978 575 F HN -0.025 nan 8.300 nan 0.000 0.474 576 Y N 0.204 120.527 120.300 0.037 0.000 2.616 576 Y HA -0.106 4.444 4.550 0.000 0.000 0.296 576 Y C 2.482 178.297 175.900 -0.142 0.000 1.154 576 Y CA 1.373 59.418 58.100 -0.091 0.000 1.325 576 Y CB -1.100 37.392 38.460 0.055 0.000 1.007 576 Y HN 0.028 nan 8.280 nan 0.000 0.542 577 T N -1.107 113.475 114.554 0.046 0.000 2.777 577 T HA -0.144 4.206 4.350 0.000 0.000 0.266 577 T C 2.196 176.823 174.700 -0.122 0.000 1.040 577 T CA 1.388 63.504 62.100 0.026 0.000 1.141 577 T CB -0.552 68.445 68.868 0.214 0.000 0.868 577 T HN 0.100 nan 8.240 nan 0.000 0.444 578 V N 2.955 122.753 119.914 -0.193 0.000 2.287 578 V HA -0.134 3.986 4.120 0.000 0.000 0.248 578 V C -0.219 175.702 176.094 -0.289 0.000 1.053 578 V CA 1.836 63.993 62.300 -0.239 0.000 1.027 578 V CB -1.535 30.109 31.823 -0.297 0.000 0.646 578 V HN 0.424 nan 8.190 nan 0.000 0.447 579 P HA -0.143 nan 4.420 nan 0.000 0.218 579 P C 1.833 178.866 177.300 -0.445 0.000 1.149 579 P CA 1.523 64.372 63.100 -0.418 0.000 0.817 579 P CB -0.040 31.312 31.700 -0.580 0.000 0.785 580 L N -0.671 120.291 121.223 -0.435 0.000 2.109 580 L HA -0.129 4.211 4.340 0.000 0.000 0.207 580 L C 2.915 179.689 176.870 -0.160 0.000 1.086 580 L CA 1.304 55.984 54.840 -0.267 0.000 0.760 580 L CB -1.236 40.745 42.059 -0.130 0.000 0.910 580 L HN -0.030 nan 8.230 nan 0.000 0.437 581 Q N 0.402 120.103 119.800 -0.166 0.000 2.112 581 Q HA -0.219 4.121 4.340 0.000 0.000 0.206 581 Q C 2.312 178.243 176.000 -0.115 0.000 0.987 581 Q CA 1.487 57.206 55.803 -0.141 0.000 0.858 581 Q CB -0.311 28.341 28.738 -0.143 0.000 0.905 581 Q HN 0.492 nan 8.270 nan 0.000 0.420 582 L N -0.077 121.077 121.223 -0.115 0.000 2.156 582 L HA -0.153 4.187 4.340 0.000 0.000 0.208 582 L C 2.237 179.129 176.870 0.038 0.000 1.095 582 L CA 0.328 55.143 54.840 -0.041 0.000 0.770 582 L CB -0.283 41.790 42.059 0.023 0.000 0.914 582 L HN 0.232 nan 8.230 nan 0.000 0.439 583 L N -0.045 121.177 121.223 -0.002 0.000 2.072 583 L HA -0.047 4.293 4.340 0.000 0.000 0.205 583 L C 2.627 179.444 176.870 -0.089 0.000 1.079 583 L CA 1.868 56.702 54.840 -0.010 0.000 0.752 583 L CB -0.664 41.364 42.059 -0.051 0.000 0.906 583 L HN 0.115 nan 8.230 nan 0.000 0.436 584 A N -0.987 121.778 122.820 -0.091 0.000 1.865 584 A HA -0.313 4.007 4.320 0.000 0.000 0.217 584 A C 2.333 179.849 177.584 -0.113 0.000 1.191 584 A CA 2.047 54.016 52.037 -0.113 0.000 0.623 584 A CB -1.370 17.568 19.000 -0.104 0.000 0.826 584 A HN 0.651 nan 8.150 nan 0.000 0.444 585 Y N 0.142 120.302 120.300 -0.232 0.000 2.145 585 Y HA -0.266 4.284 4.550 0.000 0.000 0.286 585 Y C 2.512 178.236 175.900 -0.294 0.000 1.145 585 Y CA 2.328 60.248 58.100 -0.300 0.000 1.148 585 Y CB -0.468 37.770 38.460 -0.370 0.000 0.981 585 Y HN 0.486 nan 8.280 nan 0.000 0.507 586 H N -1.167 117.817 119.070 -0.143 0.000 2.423 586 H HA -0.080 4.476 4.556 0.000 0.000 0.297 586 H C 2.447 177.643 175.328 -0.220 0.000 1.075 586 H CA 1.612 57.535 56.048 -0.208 0.000 1.342 586 H CB -0.399 29.343 29.762 -0.034 0.000 1.395 586 H HN 0.343 nan 8.280 nan 0.000 0.530 587 V N 0.743 120.593 119.914 -0.108 0.000 2.488 587 V HA -0.124 3.996 4.120 0.000 0.000 0.246 587 V C 2.736 178.726 176.094 -0.173 0.000 1.046 587 V CA 1.179 63.401 62.300 -0.131 0.000 1.053 587 V CB -0.834 30.864 31.823 -0.209 0.000 0.679 587 V HN 0.417 nan 8.190 nan 0.000 0.458 588 A N -0.057 122.614 122.820 -0.248 0.000 1.908 588 A HA -0.187 4.133 4.320 0.000 0.000 0.218 588 A C 2.107 179.522 177.584 -0.282 0.000 1.181 588 A CA 1.719 53.582 52.037 -0.291 0.000 0.627 588 A CB -0.546 18.253 19.000 -0.334 0.000 0.818 588 A HN 0.399 nan 8.150 nan 0.000 0.445 589 L N -0.103 120.910 121.223 -0.349 0.000 2.083 589 L HA -0.138 4.202 4.340 0.000 0.000 0.209 589 L C 2.329 179.115 176.870 -0.140 0.000 1.083 589 L CA 1.252 55.920 54.840 -0.286 0.000 0.752 589 L CB -0.662 41.197 42.059 -0.333 0.000 0.899 589 L HN 0.333 nan 8.230 nan 0.000 0.433 590 I N -0.660 119.844 120.570 -0.109 0.000 2.202 590 I HA -0.216 3.954 4.170 0.000 0.000 0.242 590 I C 2.168 178.257 176.117 -0.046 0.000 1.091 590 I CA 1.029 62.297 61.300 -0.054 0.000 1.368 590 I CB -1.027 36.959 38.000 -0.024 0.000 1.058 590 I HN 0.237 nan 8.210 nan 0.000 0.410 591 K N 0.871 121.231 120.400 -0.066 0.000 2.442 591 K HA -0.029 4.291 4.320 0.000 0.000 0.198 591 K C 1.204 177.782 176.600 -0.037 0.000 1.042 591 K CA 0.811 57.070 56.287 -0.046 0.000 0.958 591 K CB -0.526 31.927 32.500 -0.080 0.000 0.766 591 K HN 0.523 nan 8.250 nan 0.000 0.474 592 G N 2.610 111.374 108.800 -0.059 0.000 2.221 592 G HA2 -0.289 3.671 3.960 0.000 0.000 0.265 592 G HA3 -0.289 3.671 3.960 0.000 0.000 0.265 592 G C 0.332 175.218 174.900 -0.022 0.000 1.041 592 G CA 0.831 45.913 45.100 -0.031 0.000 0.807 592 G HN 0.442 nan 8.290 nan 0.000 0.502 593 T N -2.681 111.823 114.554 -0.083 0.000 2.824 593 T HA 0.528 4.878 4.350 0.000 0.000 0.277 593 T C 0.016 174.691 174.700 -0.042 0.000 0.975 593 T CA -0.096 61.960 62.100 -0.074 0.000 0.966 593 T CB 2.064 70.750 68.868 -0.303 0.000 1.054 593 T HN 0.083 nan 8.240 nan 0.000 0.533 594 D N 0.854 121.268 120.400 0.023 0.000 2.422 594 D HA 0.190 4.830 4.640 0.000 0.000 0.227 594 D C 1.265 177.579 176.300 0.024 0.000 1.190 594 D CA -0.363 53.667 54.000 0.050 0.000 0.905 594 D CB 0.477 41.324 40.800 0.078 0.000 1.034 594 D HN 0.346 nan 8.370 nan 0.000 0.507 595 V N 3.737 123.645 119.914 -0.011 0.000 2.237 595 V HA -0.234 3.886 4.120 0.000 0.000 0.245 595 V C 1.769 177.899 176.094 0.060 0.000 1.046 595 V CA 1.606 63.873 62.300 -0.055 0.000 1.007 595 V CB -0.218 31.476 31.823 -0.215 0.000 0.638 595 V HN 0.508 nan 8.190 nan 0.000 0.445 596 D N -0.473 120.021 120.400 0.156 0.000 2.219 596 D HA -0.085 4.555 4.640 0.000 0.000 0.205 596 D C 1.285 177.641 176.300 0.094 0.000 0.970 596 D CA 0.962 55.066 54.000 0.173 0.000 0.851 596 D CB -0.049 40.934 40.800 0.305 0.000 0.943 596 D HN 0.524 nan 8.370 nan 0.000 0.488 597 Q N 0.530 120.355 119.800 0.042 0.000 3.075 597 Q HA 0.212 4.553 4.340 0.000 0.000 0.318 597 Q C -2.505 173.571 176.000 0.127 0.000 0.907 597 Q CA -1.463 54.310 55.803 -0.050 0.000 0.882 597 Q CB 2.408 30.813 28.738 -0.555 0.000 1.386 597 Q HN 0.099 nan 8.270 nan 0.000 0.408 598 P HA -0.050 nan 4.420 nan 0.000 0.270 598 P C -0.499 177.035 177.300 0.391 0.000 1.223 598 P CA -0.183 63.114 63.100 0.328 0.000 0.785 598 P CB 0.660 32.542 31.700 0.303 0.000 0.923 599 R N 1.774 122.487 120.500 0.355 0.000 2.590 599 R HA 0.076 4.416 4.340 0.000 0.000 0.274 599 R C 0.265 176.636 176.300 0.119 0.000 1.061 599 R CA 0.262 56.464 56.100 0.169 0.000 1.081 599 R CB -0.647 29.625 30.300 -0.046 0.000 0.984 599 R HN 0.587 nan 8.270 nan 0.000 0.448 600 N N -0.406 118.353 118.700 0.098 0.000 2.961 600 N HA -0.216 4.525 4.740 0.000 0.000 0.223 600 N C -0.631 175.039 175.510 0.266 0.000 0.866 600 N CA 1.155 54.253 53.050 0.081 0.000 1.030 600 N CB -0.874 37.627 38.487 0.023 0.000 1.037 600 N HN 0.454 nan 8.380 nan 0.000 0.608 601 L N 0.195 121.573 121.223 0.259 0.000 2.335 601 L HA 0.897 5.237 4.340 0.000 0.000 0.268 601 L C 0.127 176.953 176.870 -0.073 0.000 1.016 601 L CA -0.870 54.106 54.840 0.227 0.000 0.805 601 L CB 1.430 43.578 42.059 0.148 0.000 1.311 601 L HN 0.073 nan 8.230 nan 0.000 0.456 602 A N -0.051 122.586 122.820 -0.305 0.000 2.515 602 A HA 0.465 4.785 4.320 0.000 0.000 0.298 602 A C 0.067 177.517 177.584 -0.224 0.000 1.059 602 A CA -0.562 51.205 52.037 -0.450 0.000 0.698 602 A CB 1.742 20.321 19.000 -0.702 0.000 1.289 602 A HN 0.667 nan 8.150 nan 0.000 0.404 603 K N 0.606 120.985 120.400 -0.034 0.000 2.211 603 K HA -0.017 4.303 4.320 0.000 0.000 0.204 603 K C 0.486 177.076 176.600 -0.016 0.000 1.047 603 K CA 2.148 58.454 56.287 0.031 0.000 0.935 603 K CB 0.008 32.589 32.500 0.134 0.000 0.728 603 K HN 0.659 nan 8.250 nan 0.000 0.452 604 S N -0.361 115.301 115.700 -0.063 0.000 2.720 604 S HA 0.357 4.827 4.470 0.000 0.000 0.278 604 S C -1.448 172.996 174.600 -0.260 0.000 1.172 604 S CA -0.957 57.195 58.200 -0.079 0.000 1.019 604 S CB 1.238 64.520 63.200 0.138 0.000 1.049 604 S HN -0.054 nan 8.310 nan 0.000 0.483 605 V N 5.488 125.198 119.914 -0.341 0.000 2.313 605 V HA 0.206 4.326 4.120 0.000 0.000 0.252 605 V C 1.622 177.564 176.094 -0.255 0.000 1.112 605 V CA 0.056 62.061 62.300 -0.491 0.000 0.984 605 V CB -0.352 31.121 31.823 -0.583 0.000 1.157 605 V HN 0.998 nan 8.190 nan 0.000 0.493 606 T N 0.838 115.273 114.554 -0.199 0.000 3.194 606 T HA 0.185 4.535 4.350 0.000 0.000 0.251 606 T C 0.361 175.042 174.700 -0.032 0.000 1.132 606 T CA 0.363 62.410 62.100 -0.088 0.000 1.028 606 T CB -0.369 68.451 68.868 -0.080 0.000 0.976 606 T HN 0.619 nan 8.240 nan 0.000 0.535 607 V N -3.363 116.541 119.914 -0.016 0.000 3.158 607 V HA 0.671 4.791 4.120 0.000 0.000 0.311 607 V C -0.356 175.787 176.094 0.082 0.000 1.181 607 V CA -1.595 60.748 62.300 0.071 0.000 1.054 607 V CB 1.875 33.797 31.823 0.165 0.000 1.085 607 V HN 0.173 nan 8.190 nan 0.000 0.446 608 E N 0.000 120.273 120.200 0.121 0.000 2.725 608 E HA 0.000 4.350 4.350 0.000 0.000 0.291 608 E CA 0.000 56.477 56.400 0.128 0.000 0.976 608 E CB 0.000 29.788 29.700 0.146 0.000 0.812 608 E HN 0.000 nan 8.360 nan 0.000 0.440